PDB_ID	PUBMED_CID	STRUCTURE TITLE	DEPOSITION DATE	RELEASE DATE	AUTHORS	CITATION TITLE	JOURNAL	YEAR	VOLUME	FIRST PAGE	LAST PAGE
1DDY	10625428	MOLECULAR RECOGNITION BY THE VITAMIN B12 RNA APTAMER	1999-11-12	2000-01-01	Sussman, D.,Nix, J.C.,Wilson, C.	The structural basis for molecular recognition by the vitamin B 12 RNA aptamer.	Nat.Struct.Biol.	2000	7	53	57	
1EXD	10881199	CRYSTAL STRUCTURE OF A TIGHT-BINDING GLUTAMINE TRNA BOUND TO GLUTAMINE AMINOACYL TRNA SYNTHETASE	2000-05-02	2000-05-15	Bullock, T.L.,Sherlin, L.D.,Perona, J.J.	Tertiary core rearrangements in a tight binding transfer RNA aptamer.	Nat.Struct.Biol.	2000	7	497	504	
1EUY	10860750	GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH A TRNA MUTANT AND AN ACTIVE SITE INHIBITOR	2000-04-19	2000-06-04	Sherlin, L.D.,Bullock, T.L.,Newberry, K.J.,Lipman, R.S.,Hou, Y.M.,Beijer, B.,Sproat, B.S.,Perona, J.J.	Influence of transfer RNA tertiary structure on aminoacylation efficiency by glutaminyl and cysteinyl-tRNA synthetases.	J.Mol.Biol.	2000	299	431	446	
1G16	11099382	CRYSTAL STRUCTURE OF SEC4-GDP	2000-10-10	2000-12-11	Stroupe, C.,Brunger, A.T.	Crystal structures of a Rab protein in its inactive and active conformations.	J.Mol.Biol.	2000	304	585	598	
1G16	11099382	CRYSTAL STRUCTURE OF SEC4-GDP	2000-10-10	2000-12-11	Stroupe, C.,Brunger, A.T.	Crystal structures of a Rab protein in its inactive and active conformations.	J.Mol.Biol.	2000	304	585	598	
1G16	11099382	CRYSTAL STRUCTURE OF SEC4-GDP	2000-10-10	2000-12-11	Stroupe, C.,Brunger, A.T.	Crystal structures of a Rab protein in its inactive and active conformations.	J.Mol.Biol.	2000	304	585	598	
1G17	11099382	CRYSTAL STRUCTURE OF SEC4-GUANOSINE-5'-(BETA,GAMMA)-IMIDOTRIPHOSPHATE	2000-10-10	2000-12-11	Stroupe, C.,Brunger, A.T.	Crystal structures of a Rab protein in its inactive and active conformations.	J.Mol.Biol.	2000	304	585	598	
1HR2	11286889	CRYSTAL STRUCTURE ANALYSIS OF A MUTANT P4-P6 DOMAIN (DELC209) OF TETRAHYMENA THEMOPHILA GROUP I INTRON.	2000-12-20	2001-04-12	Juneau, K.,Podell, E.,Harrington, D.J.,Cech, T.R.	Structural basis of the enhanced stability of a mutant ribozyme domain and a detailed view of RNA--solvent interactions.	Structure	2001	9	221	231	
1HWL	11349148	COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ROSUVASTATIN (FORMALLY KNOWN AS ZD4522)	2001-01-09	2001-05-11	Istvan, E.S.,Deisenhofer, J.	Structural mechanism for statin inhibition of HMG-CoA reductase.	Science	2001	292	1160	1164	
1B68	11258893	APOLIPOPROTEIN E4 (APOE4), 22K FRAGMENT	1999-01-21	2001-07-11	Dong, J.,Peters-Libeu, C.A.,Weisgraber, K.H.,Segelke, B.W.,Rupp, B.,Capila, I.,Hernaiz, M.J.,LeBrun, L.A.,Linhardt, R.J.	Interaction of the N-terminal domain of apolipoprotein E4 with heparin.	Biochemistry	2001	40	2826	2834	
1JYX	11732897	E. COLI (lacZ) BETA-GALACTOSIDASE IN COMPLEX WITH IPTG	2001-09-13	2001-12-07	Juers, D.H.,Heightman, T.D.,Vasella, A.,McCarter, J.D.,Mackenzie, L.,Withers, S.G.,Matthews, B.W.	A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase	Biochemistry	2001	40	14781	14794	
1JZ3	11732897	E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-DEOXY-GALACTOSYL ENZYME INTERMEDIATE	2001-09-13	2001-12-07	Juers, D.H.,Heightman, T.D.,Vasella, A.,McCarter, J.D.,Mackenzie, L.,Withers, S.G.,Matthews, B.W.	A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase	Biochemistry	2001	40	14781	14794	
1KZZ	12005438	DOWNSTREAM REGULATOR TANK BINDS TO THE CD40 RECOGNITION SITE ON TRAF3	2002-02-08	2002-04-10	Li, C.,Ni, C.Z.,Havert, M.L.,Cabezas, E.,He, J.,Kaiser, D.,Reed, J.C.,Satterthwait, A.C.,Cheng, G.,Ely, K.R.	Downstream regulator TANK binds to the CD40 recognition site on TRAF3.	Structure	2002	10	403	411	
1LDF	11964478	CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) MUTATION W48F, F200T	2002-04-08	2002-05-08	Tajkhorshid, E.,Nollert, P.,Jensen, M.O.,Miercke, L.J.,O'Connell, J.,Stroud, R.M.,Schulten, K.	Control of the selectivity of the aquaporin water channel family by global orientational tuning.	Science	2002	296	525	530	
1LN4	12429100	CRYSTAL STRUCTURE OF E. COLI YHBY	2002-05-02	2002-05-15	Ostheimer, G.J.,Barkan, A.,Matthews, B.W.	Crystal structure of E. coli YhbY: a representative of a novel class of RNA binding proteins	Structure	2002	10	1593	1601	
1H2E	12498792	BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with phosphate	2002-08-08	2002-08-12	Rigden, D.J.,Littlejohn, J.E.,Henderson, K.,Jedrzejas, M.J.	Structures of Phosphate and Trivanadate Complexes of Bacillus Stearothermophilus Phosphatase Phoe: Structural and Functional Analysis in the Cofactor-Dependent Phosphoglycerate Mutase Superfamily	J.Mol.Biol.	2003	325	411	0	
1H2F	12498792	BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with trivanadate	2002-08-08	2002-08-12	Rigden, D.J.,Littlejohn, J.E.,Henderson, K.,Jedrzejas, M.J.	Structures of Phosphate and Trivanadate Complexes of Bacillus Stearothermophilus Phosphatase Phoe: Structural and Functional Analysis in the Cofactor-Dependent Phosphoglycerate Mutase Superfamily	J.Mol.Biol.	2003	325	411	0	
1LW6	12142461	Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution	2002-05-30	2002-08-21	Radisky, E.S.,Koshland Jr., D.E.	A clogged gutter mechanism for protease inhibitors.	Proc.Natl.Acad.Sci.USA	2002	99	10316	10321	
1M17	12196540	Epidermal Growth Factor Receptor tyrosine kinase domain with 4-anilinoquinazoline inhibitor erlotinib	2002-06-17	2002-09-04	Stamos, J.,Sliwkowski, M.X.,Eigenbrot, C.	Structure of the epidermal growth factor  receptor kinase domain alone and in complex  with a 4-anilinoquinazoline inhibitor.	J.Biol.Chem.	2002	277	46265	46272	
1MQ7	15276840	CRYSTAL STRUCTURE OF DUTPASE FROM MYCOBACTERIUM TUBERCULOSIS (RV2697C)	2002-09-13	2002-10-09	Chan, S.,Segelke, B.,Lekin, T.,Krupka, H.,Cho, U.S.,Kim, M.-Y.,So, M.,Kim, C.-Y.,Naranjo, C.M.,Rogers, Y.C.,Park, M.S.,Waldo, G.S.,Pashkov, I.,Cascio, D.,Perry, J.L.,Sawaya, M.R.	Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.	J.Mol.Biol.	2004	341	503	517	
1M5O	12376595	Transition State Stabilization by a Catalytic RNA	2002-07-09	2002-10-12	Rupert, P.B.,Massey, A.P.,Sigurdsson, S.T.,Ferre-D'Amare, A.R.	Transition state stabilization by a catalytic RNA	Science	2002	298	1421	1424	
1MK2	12154125	SMAD3 SBD complex	2002-08-28	2002-10-16	Qin, B.Y.,Lam, S.S.,Correia, J.J.,Lin, K.	Smad3 allostery links TGF-beta receptor kinase activation to transcriptional control	Genes Dev.	2002	16	1950	1963	
1MOW	12419232	E-DreI	2002-09-10	2002-11-29	Chevalier, B.S.,Kortemme, T.,Chadsey, M.S.,Baker, D.,Monnat Jr., R.J.,Stoddard, B.L.	Design, Activity and Structure of a Highly Specific Artificial Endonuclease	Mol.Cell	2002	10	895	905	
1N7N	12446724	Streptococcus pneumoniae Hyaluronate Lyase W292A Mutant	2002-11-16	2002-12-31	Nukui, M.,Taylor, K.B.,McPherson, D.T.,Shigenaga, M.,Jedrzejas, M.J.	The function of hydrophobic residues in the catalytic cleft of Streptococcus pneumoniae hyaluronate lyase. Kinetic characterization of mutant enzyme forms	J.Biol.Chem.	2003	278	3079	3088	
1N7O	12446724	Streptococcus pneumoniae Hyaluronate Lyase F343V Mutant	2002-11-16	2002-12-31	Nukui, M.,Taylor, K.B.,McPherson, D.T.,Shigenaga, M.,Jedrzejas, M.J.	The function of hydrophobic residues in the catalytic cleft of Streptococcus pneumoniae hyaluronate lyase. Kinetic characterization of mutant enzyme forms	J.Biol.Chem.	2003	278	3079	3088	
1N7P	12446724	Streptococcus pneumoniae Hyaluronate Lyase W292A/F343V Double Mutant	2002-11-16	2002-12-31	Nukui, M.,Taylor, K.B.,McPherson, D.T.,Shigenaga, M.,Jedrzejas, M.J.	The function of hydrophobic residues in the catalytic cleft of Streptococcus pneumoniae hyaluronate lyase. Kinetic characterization of mutant enzyme forms	J.Biol.Chem.	2003	278	3079	3088	
1N7Q	12446724	Streptococcus pneumoniae Hyaluronate Lyase W291A/W292A Double Mutant complex with hyaluronan hexasacchride	2002-11-16	2002-12-31	Nukui, M.,Taylor, K.B.,McPherson, D.T.,Shigenaga, M.,Jedrzejas, M.J.	The function of hydrophobic residues in the catalytic cleft of Streptococcus pneumoniae hyaluronate lyase. Kinetic characterization of mutant enzyme forms	J.Biol.Chem.	2003	278	3079	3088	
1N7R	12446724	Streptococcus pneumoniae Hyaluronate Lyase W291A/W292A/F343V Mutant complex with hexasaccharide hyaluronan	2002-11-16	2002-12-31	Nukui, M.,Taylor, K.B.,McPherson, D.T.,Shigenaga, M.,Jedrzejas, M.J.	The function of hydrophobic residues in the catalytic cleft of Streptococcus pneumoniae hyaluronate lyase. Kinetic characterization of mutant enzyme forms	J.Biol.Chem.	2003	278	3079	3088	
1MCX	12595246	STRUCTURE OF FULL-LENGTH ANNEXIN A1 IN THE PRESENCE OF CALCIUM	2002-08-06	2003-03-04	Luecke, H.,Rosengarth, A.	A Calcium-driven Conformational Switch of the N-terminaland Core Domains of Annexin A1	J.Mol.Biol.	2003	326	1317	1325	
1NJ8	12578991	Crystal Structure of Prolyl-tRNA Synthetase from Methanocaldococcus janaschii	2002-12-30	2003-03-04	Kamtekar, S.,Kennedy, W.D.,Wang, J.,Stathopoulos, C.,Soll, D.,Steitz, T.A.	The structural basis of cysteine aminoacylation of tRNAPro by prolyl-tRNA synthetases	Proc.Natl.Acad.Sci.USA	2003	100	1673	1678	
1L6M	12453412	Neutrophil Gelatinase-associated Lipocalin is a Novel Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition	2002-03-11	2003-03-11	Goetz, D.H.,Borregaard, N.,Bluhm, M.E.,Raymond, K.N.,Strong, R.K.	The Neutrophil Lipocalin NGAL is a Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition	Mol.Cell	2002	10	1033	1043	
1P8V	12855811	CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A	2003-05-07	2003-07-22	Dumas, J.J.,Kumar, R.,Seehra, J.,Somers, W.S.,Mosyak, L.	Crystal Structure of the GpIbalpha-Thrombin Complex Essential for Platelet Aggregation	Science	2003	301	222	226	
1ONQ	12833155	Crystal Structure of CD1a in Complex with a Sulfatide	2003-02-28	2003-08-05	Zajonc, D.M.,Elsliger, M.A.,Teyton, L.,Wilson, I.A.	Crystal structure of CD1a in complex with a sulfatide self antigen at a resolution of 2.15 A.	Nat.Immunol.	2003	4	808	815	
1OZR	12842469	Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications	2003-04-09	2003-08-05	Lad, L.,Wang, J.,Li, H.,Friedman, J.,Bhaskar, B.,Ortiz de Montellano, P.R.,Poulos, T.L.	Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications	J.Mol.Biol.	2003	330	527	538	
1MK5	16452627	Wildtype Core-Streptavidin with Biotin at 1.4A.	2002-08-28	2003-09-09	Hyre, D.E.,Le Trong, I.,Merritt, E.A.,Eccleston, J.F.,Green, N.M.,Stenkamp, R.E.,Stayton, P.S.	Cooperative hydrogen bond interactions in the streptavidin-biotin system	Protein Sci.	2006	15	459	467	
1NF2	12824492	X-ray crystal structure of TM0651 from Thermotoga maritima	2002-12-12	2003-09-16	Shin, D.H.,Roberts, A.,Jancarik, J.,Yokota, H.,Kim, R.,Wemmer, D.E.,Kim, S.H.	Crystal structure of a phosphatase with a unique substrate binding domain from Thermotoga maritima	Protein Sci.	2003	12	1464	1472	
1QVJ	12948489	structure of NUDT9 complexed with ribose-5-phosphate	2003-08-27	2003-09-16	Shen, B.W.,Perraud, A.-L.,Scharenberg, A.S.,Stoddard, B.L.	The crystal structure and mutational analysis of human NUDT9	J.Mol.Biol.	2003	332	385	398	
1NY3	12791252	Crystal structure of ADP bound to MAP KAP kinase 2	2003-02-11	2003-10-14	Underwood, K.W.,Parris, K.D.,Federico, E.,Mosyak, L.,Czerwinski, R.M.,Shane, T.,Taylor, M.,Svenson, K.,Liu, Y.,Hsiao, C.L.,Wolfrom, S.,Maguire, M.,Malakian, K.,Telliez, J.B.,Lin, L.L.,Kriz, R.W.,Seehra, J.,Somers, W.S.,Stahl, M.L.	Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme	Structure	2003	11	627	636	
1QWT	14555996	Auto-inhibitory interferon regulation factor-3 (IRF3) transactivation domain	2003-09-03	2003-10-14	Qin, B.Y.,Liu, C.,Lam, S.S.,Srinath, H.,Delston, R.,Correia, J.J.,Derynck, R.,Lin, K.	Crystal structure of IRF-3 reveals mechanism of autoinhibition and virus induced phospho-activation	Nat.Struct.Biol.	2003	10	913	921	
1N0F	15146477	CRYSTAL STRUCTURE OF A CELL DIVISION AND CELL WALL BIOSYNTHESIS PROTEIN UPF0040 FROM MYCOPLASMA PNEUMONIAE: INDICATION OF A NOVEL FOLD WITH A POSSIBLE NEW CONSERVED SEQUENCE MOTIF	2002-10-13	2003-10-21	Chen, S.,Jancrick, J.,Yokota, H.,Kim, R.,Kim, S.-H.	Crystal structure of a protein associated with cell division from Mycoplasma pneumoniae (GI: 13508053): a novel fold with a conserved sequence motif.	Proteins	2004	55	785	791	
1N0G	15146477	Crystal Structure of A Cell Division and Cell Wall Biosynthesis Protein UPF0040 from Mycoplasma pneumoniae: Indication of A Novel Fold with A Possible New Conserved Sequence Motif	2002-10-13	2003-10-21	Chen, S.,Jancrick, J.,Yokota, H.,Kim, R.,Kim, S.-H.	Crystal structure of a protein associated with cell division from Mycoplasma pneumoniae (GI: 13508053): a novel fold with a conserved sequence motif.	Proteins	2004	55	785	791	
1QZ7	14600025	Beta-catenin binding domain of Axin in complex with beta-catenin	2003-09-15	2003-11-18	Xing, Y.,Clements, W.K.,Kimelman, D.,Xu, W.	Crystal structure of a beta-catenin/Axin complex suggests a mechanism for the {beta}-catenin destruction complex	GENES DEV.	2003	17	2753	2764	
1R0W	14685259	Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo	2003-09-23	2003-12-09	Lewis, H.A.,Buchanan, S.G.,Burley, S.K.,Conners, K.,Dickey, M.,Dorwart, M.,Fowler, R.,Gao, X.,Guggino, W.B.,Hendrickson, W.A.,Hunt, J.F.,Kearins, M.C.,Lorimer, D.,Maloney, P.C.,Post, K.W.,Rajashankar, K.R.,Rutter, M.E.,Sauder, J.M.,Shriver, S.,Thibodeau, P.H.,Thomas, P.J.,Zhang, M.,Zhao, X.,Emtage, S.	Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.	Embo J.	2004	23	282	293	
1R0X	14685259	Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP	2003-09-23	2003-12-09	Lewis, H.A.,Buchanan, S.G.,Burley, S.K.,Conners, K.,Dickey, M.,Dorwart, M.,Fowler, R.,Gao, X.,Guggino, W.B.,Hendrickson, W.A.,Hunt, J.F.,Kearins, M.C.,Lorimer, D.,Maloney, P.C.,Post, K.W.,Rajashankar, K.R.,Rutter, M.E.,Sauder, J.M.,Shriver, S.,Thibodeau, P.H.,Thomas, P.J.,Zhang, M.,Zhao, X.,Emtage, S.	Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.	Embo J.	2004	23	282	293	
1R10	14685259	Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP, I4122 space group	2003-09-23	2003-12-09	Lewis, H.A.,Buchanan, S.G.,Burley, S.K.,Conners, K.,Dickey, M.,Dorwart, M.,Fowler, R.,Gao, X.,Guggino, W.B.,Hendrickson, W.A.,Hunt, J.F.,Kearins, M.C.,Lorimer, D.,Maloney, P.C.,Post, K.W.,Rajashankar, K.R.,Rutter, M.E.,Sauder, J.M.,Shriver, S.,Thibodeau, P.H.,Thomas, P.J.,Zhang, M.,Zhao, X.,Emtage, S.	Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.	Embo J.	2004	23	282	293	
1PXR	14659758	Structure of Pro50Ala mutant of Bacteriorhodopsin	2003-07-06	2003-12-16	Faham, S.,Yang, D.,Bare, E.,Yohannan, S.,Whitelegge, J.P.,Bowie, J.U.	Side-chain Contributions to Membrane Protein Structure and Stability.	J.Mol.Biol.	2004	335	297	305	
1PXS	14659758	Structure of Met56Ala mutant of Bacteriorhodopsin	2003-07-06	2003-12-16	Faham, S.,Yang, D.,Bare, E.,Yohannan, S.,Whitelegge, J.P.,Bowie, J.U.	Side-chain Contributions to Membrane Protein Structure and Stability.	J.Mol.Biol.	2004	335	297	305	
1Q5Q	14659753	The Rhodococcus 20S proteasome	2003-08-08	2003-12-16	Kwon, Y.D.,Nagy, I.,Adams, P.D.,Baumeister, W.,Jap, B.K.	Crystal structures of the Rhodococcus proteasome with and without its pro-peptides: implications for the role of the pro-peptide in proteasome assembly.	J.Mol.Biol.	2004	335	233	245	
1RC8	14754987	T4 Polynucleotide Kinase bound to 5'-GTCAC-3' ssDNA	2003-11-03	2004-02-17	Eastberg, J.H.,Pelletier, J.,Stoddard, B.L.	Recognition of DNA substrates by T4 bacteriophage polynucleotide kinase.	Nucleic Acids Res.	2004	32	653	660	
1RPZ	14754987	T4 POLYNUCLEOTIDE KINASE BOUND TO 5'-TGCAC-3' SSDNA	2003-12-03	2004-02-17	Eastberg, J.H.,Pelletier, J.,Stoddard, B.L.	Recognition of DNA substrates by T4 bacteriophage polynucleotide kinase.	Nucleic Acids Res.	2004	32	653	660	
1RRC	14754987	T4 POLYNUCLEOTIDE KINASE BOUND TO 5'-GTC-3' SSDNA	2003-12-08	2004-02-17	Eastberg, J.H.,Pelletier, J.,Stoddard, B.L.	Recognition of DNA substrates by T4 bacteriophage polynucleotide kinase.	Nucleic Acids Res.	2004	32	653	660	
1SGV	15028724	STRUCTURE OF TRNA PSI55 PSEUDOURIDINE SYNTHASE (TRUB)	2004-02-24	2004-03-02	Chaudhuri, B.N.,Chan, S.,Perry, L.J.,Yeates, T.O.	Crystal structure of the apo forms of psi 55 tRNA pseudouridine synthase from Mycobacterium tuberculosis: a hinge at the base of the catalytic cleft.	J.Biol.Chem.	2004	279	24585	24591	
1UJZ	15034550	Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein	2003-08-13	2004-04-06	Kortemme, T.,Joachimiak, L.A.,Bullock, A.N.,Schuler, A.D.,Stoddard, B.L.,Baker, D.	Computational redesign of protein-protein interaction specificity	NAT.STRUCT.MOL.BIOL.	2004	11	371	379	
1S78	15093539	Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex	2004-01-29	2004-04-27	Franklin, M.C.,Carey, K.D.,Vajdos, F.F.,Leahy, D.J.,De Vos, A.M.,Sliwkowski, M.X.	Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex.	Cancer Cell	2004	5	317	328	
1VJ5	15096040	Human soluble Epoxide Hydrolase- N-cyclohexyl-N'-(4-iodophenyl)urea complex	2004-02-03	2004-04-27	Gomez, G.A.,Morisseau, C.,Hammock, B.D.,Christianson, D.W.	Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis	Biochemistry	2004	43	4716	4723	
1SOI	15123424	CRYSTAL STRUCTURE OF NUDIX HYDROLASE DR1025 IN COMPLEX WITH SM+3	2004-03-15	2004-05-11	Ranatunga, W.,Hill, E.E.,Mooster, J.L.,Holbrook, E.L.,Schulze-Gahmen, U.,Xu, W.,Bessman, M.J.,Brenner, S.E.,Holbrook, S.R.	Structural Studies of the Nudix Hydrolase DR1025 From Deinococcus radiodurans and its Ligand Complexes.	J.Mol.Biol.	2004	339	103	116	
1SDS	15130481	Structure of protein L7Ae bound to a K-turn derived from an archaeal box H/ACA sRNA	2004-02-13	2004-05-18	Hamma, T.,Ferre-D'Amare, A.	Structure of Protein L7Ae Bound to a K-Turn Derived from an Archaeal Box H/ACA sRNA at 1.8 A Resolution.	STRUCTURE	2004	12	893	903	
1R9D	15096031	Glycerol bound form of the B12-independent glycerol dehydratase from Clostridium butyricum	2003-10-28	2004-06-01	O'Brien, J.R.,Raynaud, C.,Croux, C.,Girbal, L.,Soucaille, P.,Lanzilotta, W.N.	Insight into the mechanism of the B12-independent glycerol dehydratase from Clostridium butyricum: preliminary biochemical and structural characterization.	Biochemistry	2004	43	4635	4645	
1SVK	15128951	Structure of the K180P mutant of Gi alpha subunit bound to AlF4 and GDP	2004-03-29	2004-06-01	Thomas, C.J.,Du, X.,Li, P.,Wang, Y.,Ross, E.M.,Sprang, S.R.	Uncoupling conformational change from GTP hydrolysis in a heterotrimeric G protein {alpha}-subunit.	Proc.Natl.Acad.Sci.USA	2004	101	7560	7565	
1VKE		Crystal structure of carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response (TM1620) from Thermotoga maritima at 1.56 A resolution	2004-05-13	2004-06-08	Joint Center for Structural Genomics (JCSG)	Crystal structure of carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response (TM1620) from Thermotoga maritima at 1.56 A resolution	To be published	0	0	0	0	
1R62	15157101	Crystal structure of the C-terminal Domain of the Two-Component System Transmitter Protein NRII (NtrB)	2003-10-14	2004-06-15	Song, Y.,Peisach, D.,Pioszak, A.A.,Xu, Z.,Ninfa, A.J.	Crystal Structure of the C-terminal Domain of the Two-Component System Transmitter Protein Nitrogen Regulator II (NRII; NtrB), Regulator of Nitrogen Assimilation in Escherichia coli.	Biochemistry	2004	43	6670	6678	
1SK7	15122889	Structural Basis for Novel Delta-Regioselective Heme Oxygenation in the Opportunistic Pathogen Pseudomonas aeruginosa	2004-03-04	2004-06-22	Friedman, J.,Lad, L.,Li, H.,Wilks, A.,Poulos, T.L.	Structural basis for novel delta-regioselective heme oxygenation in the opportunistic pathogen Pseudomonas aeruginosa	Biochemistry	2004	43	5239	5245	
1PPJ	16024040	Bovine cytochrome bc1 complex with stigmatellin and antimycin	2003-06-16	2004-07-20	Huang, L.S.,Cobessi, D.,Tung, E.Y.,Berry, E.A.	Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.	J.Mol.Biol.	2005	351	573	597	
1S3L	15128743	Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase	2004-01-13	2004-08-10	Chen, S.,Yakunin, A.F.,Kuznetsova, E.,Busso, D.,Pufan, R.,Proudfoot, M.,Kim, R.,Kim, S.-H.	Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii	J.Biol.Chem.	2004	279	31854	31862	
1S3N	15128743	Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase	2004-01-13	2004-08-10	Chen, S.,Yakunin, A.F.,Kuznetsova, E.,Busso, D.,Pufan, R.,Proudfoot, M.,Kim, R.,Kim, S.-H.	Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii	J.Biol.Chem.	2004	279	31854	31862	
1S7D		Crystal structure of refined tetragonal crystal of YodA from Escherichia coli	2004-01-29	2004-08-10	Shin, D.H.,Yokota, H.,Kim, R.,Kim, S.H.	Crystal structure of refined tetragonal crystal of YodA from Escherichia coli	TO BE PUBLISHED	0	0	0	0	
1T6X		Crystal structure of ADP bound TM379	2004-05-07	2004-08-10	Shin, D.H.,Wang, W.,Kim, R.,Yokota, H.,Kim, S.-H.	Crystal structure of ADP bound FAD synthetase	To be Published	0	0	0	0	
1T6Y		Crystal structure of ADP, AMP, and FMN bound TM379	2004-05-07	2004-08-10	Shin, D.H.,Wang, W.,Kim, R.,Yokota, H.,Kim, S.-H.	Crystal structure of ADP bound FAD synthetase	To be Published	0	0	0	0	
1T6Z		Crystal structure of riboflavin bound TM379	2004-05-07	2004-08-10	Shin, D.H.,Wang, W.,Kim, R.,Yokota, H.,Kim, S.-H.	Crystal structure of ADP bound FAD synthetase	To be Published	0	0	0	0	
1W3Y	15322107	Crystal structure of S. pneumoniae hyaluronate lyase in complex with palmitoyl-vitamin C	2004-07-21	2004-08-26	Botzki, A.,Rigden, D.J.,Braun, S.,Nukui, M.,Salmen, S.,Hoechstetter, J.,Bernhardt, G.,Dove, S.,Jedrzejas, M.J.,Buschauer, A.	L-Ascorbic Acid 6-Hexadecanoate, a Potent Hyaluronidase Inhibitor: X-Ray Structure and Molecular Modeling of Enzyme-Inhibitor Complexes	J.Biol.Chem.	2004	279	45990	0	
1U3E	15313606	DNA binding and cleavage by the HNH homing endonuclease I-HmuI	2004-07-21	2004-08-31	Shen, B.W.,Landthaler, M.,Shub, D.A.,Stoddard, B.L.	DNA Binding and Cleavage by the HNH Homing Endonuclease I-HmuI.	J.Mol.Biol.	2004	342	43	56	
1U4D	15308621	Structure of the ACK1 Kinase Domain bound to Debromohymenialdisine	2004-07-23	2004-08-31	Lougheed, J.C.,Chen, R.H.,Mak, P.,Stout, T.J.	Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the Cdc42-associated Tyrosine Kinase ACK1.	J.Biol.Chem.	2004	279	44039	44045	
1SMO	15351648	Crystal Structure of Human Triggering Receptor Expressed on Myeloid Cells 1 (TREM-1) at 1.47 .	2004-03-09	2004-09-21	Kelker, M.S.,Foss, T.R.,Peti, W.,Teyton, L.,Kelly, J.W.,Wilson, I.A.	Crystal Structure of Human Triggering Receptor Expressed on Myeloid Cells 1 (TREM-1) at 1.47A.	J.Mol.Biol.	2004	342	1237	1248	
1OZY	15720395	Crystal Structure of Phospholipase A2 (MIPLA3) From Micropechis Ikaheka	2003-04-10	2004-09-28	Lok, S.M.,Gao, R.,Rouault, M.,Lambeau, G.,Gopalakrishnakone, P.,Swaminathan, K.	Structure and function comparison of Micropechis ikaheka snake venom phospholipase A2 isoenzymes	FEBS J.	2005	272	1211	1220	
1VMD		Crystal structure of Methylglyoxal synthase (TM1185) from Thermotoga maritima at 2.06 A resolution	2004-09-20	2004-09-28	Joint Center for Structural Genomics (JCSG)	Crystal structure of Methylglyoxal synthase (TM1185) from Thermotoga maritima at 2.06 A resolution	To be published	0	0	0	0	
1R9Y	15381761	Bacterial cytosine deaminase D314A mutant.	2003-10-31	2004-10-05	Mahan, S.D.,Ireton, G.C.,Knoeber, C.,Stoddard, B.L.,Black, M.E.	Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.	Protein Eng.Des.Sel.	2004	17	625	633	
1U00	15351650	HscA substrate binding domain complexed with the IscU recognition peptide ELPPVKIHC	2004-07-12	2004-10-05	Cupp-Vickery, J.R.,Peterson, J.C.,Ta, D.T.,Vickery, L.E.	Crystal Structure of the Molecular Chaperone HscA Substrate Binding Domain Complexed with the IscU Recognition Peptide ELPPVKIHC.	J.Mol.Biol.	2004	342	1265	1278	
1T5G	15248756	Arginase-F2-L-Arginine complex	2004-05-04	2004-10-12	Cama, E.,Pethe, S.,Boucher, J.-L.,Han, S.,Emig, F.A.,Ash, D.E.,Viola, R.E.,Mansuy, D.,Christianson, D.W.	Inhibitor coordination interactions in the binuclear manganese cluster of arginase	Biochemistry	2004	43	8987	8999	
1VP2		CRYSTAL STRUCTURE OF A PUTATIVE XANTHOSINE TRIPHOSPHATE PYROPHOSPHATASE/HAM1 PROTEIN HOMOLOG (TM0159) FROM THERMOTOGA MARITIMA AT 1.78 A RESOLUTION	2004-10-06	2004-10-26	Joint Center for Structural Genomics (JCSG)	Crystal structure of Putative Xanthosine triphosphate pyrophosphatase1/HAM1 protein homolog (TM0159) from Thermotoga maritima at 1.78 A resolution	To be published	0	0	0	0	
1XR6	15296746	Crystal Structure of RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 1B	2004-10-13	2004-10-26	Love, R.A.,Maegley, K.A.,Yu, X.,Ferre, R.A.,Lingardo, L.K.,Diehl, W.,Parge, H.E.,Dragovich, P.S.,Fuhrman, S.A.	The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy	Structure	2004	12	1533	1544	
1XR7	15296746	Crystal structure of RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 16	2004-10-13	2004-10-26	Love, R.A.,Maegley, K.A.,Yu, X.,Ferre, R.A.,Lingardo, L.K.,Diehl, W.,Parge, H.E.,Dragovich, P.S.,Fuhrman, S.A.	The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy	Structure	2004	12	1533	1544	
1XTN	15126499	crystal structure of CISK-PX domain with sulfates	2004-10-22	2004-11-02	Xing, Y.,Liu, D.,Zhang, R.,Joachimiak, A.,Songyang, Z.,Xu, W.	Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX)	J.Biol.Chem.	2004	279	30662	30669	
1W7B		Annexin A2: Does it induce membrane aggregation by a new multimeric state of the protein.	2004-09-01	2004-11-04	Rosengarth, A.,Luecke, H.	Annexin A2: Does It Induce Membrane Aggregation by a New Multimeric State of the Protein	Annexins	2004	1	129	0	
1TM3	15504027	crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59k mutant	2004-06-10	2004-11-09	Radisky, E.S.,Kwan, G.,Karen Lu, C.J.,Koshland Jr., D.E.	Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).	Biochemistry	2004	43	13648	13656	
1TM4	15504027	crystal structure of the complex of subtilsin BPN'with chymotrypsin inhibitor 2 M59G mutant	2004-06-10	2004-11-09	Radisky, E.S.,Kwan, G.,Karen Lu, C.J.,Koshland Jr., D.E.	Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).	Biochemistry	2004	43	13648	13656	
1TM7	15504027	crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59Y mutant	2004-06-10	2004-11-09	Radisky, E.S.,Kwan, G.,Karen Lu, C.J.,Koshland Jr., D.E.	Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).	Biochemistry	2004	43	13648	13656	
1TMG	15504027	crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59F mutant	2004-06-10	2004-11-09	Radisky, E.S.,Kwan, G.,Karen Lu, C.J.,Koshland Jr., D.E.	Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).	Biochemistry	2004	43	13648	13656	
1T6S	16294331	Crystal structure of a conserved hypothetical protein from Chlorobium tepidum	2004-05-07	2004-12-07	Kim, J.S.,Shin, D.H.,Pufan, R.,Huang, C.,Yokota, H.,Kim, R.,Kim, S.H.	Crystal structure of ScpB from Chlorobium tepidum, a protein involved in chromosome partitioning.	Proteins	2006	62	322	328	
1T71		Crystal structure of a novel phosphatase Mycoplasma pneumoniaefrom	2004-05-07	2004-12-07	Shin, D.H.,Jancarik, J.,Kim, R.,Yokota, H.,Kim, S.-H.	Crystal structure of a novel phosphatase from Mycoplasma pneumoniae	To be Published	0	0	0	0	
1TD9	16283428	Crystal Structure of a Phosphotransacetylase from Bacillus subtilis	2004-05-21	2004-12-07	Xu, Q.S.,Jancarik, J.,Lou, Y.,Kuznetsova, K.,Yakunin, A.F.,Yokota, H.,Adams, P.,Kim, R.,Kim, S.-H.	Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate	J.STRUCT.FUNCT.GENOM.	2005	6	269	279	
1U3F	15281135	Structural and Functional Characterization of a 5,10-Methenyltetrahydrofolate Synthetase from Mycoplasma pneumoniae (GI: 13508087)	2004-07-21	2004-12-07	Chen, S.,Shin, D.H.,Pufan, R.,Kim, R.,Kim, S.-H.	Crystal structure of methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae (GI: 13508087) at 2.2 A resolution	Proteins	2004	56	839	843	
1U3G	15281135	Structural and Functional Characterization of a 5,10-Methenyltetrahydrofolate Synthetase from Mycoplasma pneumoniae (GI: 13508087)	2004-07-21	2004-12-07	Chen, S.,Shin, D.H.,Pufan, R.,Kim, R.,Kim, S.-H.	Crystal structure of methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae (GI: 13508087) at 2.2 A resolution	Proteins	2004	56	839	843	
1XCO	16283428	Crystal Structure of a Phosphotransacetylase from Bacillus subtilis in complex with acetylphosphate	2004-09-02	2004-12-07	Xu, Q.S.,Jancarik, J.,Lou, Y.,Kuznetsova, K.,Yakunin, A.F.,Yokota, H.,Adams, P.,Kim, R.,Kim, S.-H.	Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate	J.STRUCT.FUNCT.GENOM.	2005	6	269	279	
1XO7		Crystal structure of cyclophilin from Trypanosoma cruzi	2004-10-05	2004-12-21	Caruthers, J.M.,Hol, W.G.J.,Structural Genomics of Pathogenic Protozoa Consortium (SGPP)	Crystal structure of cyclophilin from Trypanosoma cruzi	TO BE PUBLISHED	0	0	0	0	
1XQ7		Cyclophilin from Trypanosoma cruzi bound to cyclosporin A	2004-10-11	2004-12-21	Caruthers, J.M.,Hol, W.G.J.,Structural Genomics of Pathogenic Protozoa Consortium	Cyclophilin from Trypanosoma Cruzi Bound to Cyclosporin A	To be Published	0	0	0	0	
1YC6	15713465	Crystallographic Structure of the T=1 Particle of Brome Mosaic Virus	2004-12-22	2005-01-18	Larson, S.B.,Lucas, R.W.,McPherson, A.	Crystallographic structure of the T=1 particle of brome mosaic virus.	J.Mol.Biol.	2005	346	815	831	
1X89	15642259	Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin S	2004-08-17	2005-01-25	Holmes, M.A.,Paulsene, W.,Jide, X.,Ratledge, C.,Strong, R.K.	Siderocalin (Lcn 2) Also Binds Carboxymycobactins, Potentially Defending against Mycobacterial Infections through Iron Sequestration	Structure	2005	13	29	41	
1X8U	15642259	Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin T	2004-08-18	2005-01-25	Holmes, M.A.,Paulsene, W.,Jide, X.,Ratledge, C.,Strong, R.K.	Siderocalin (Lcn 2) Also Binds Carboxymycobactins, Potentially Defending against Mycobacterial Infections through Iron Sequestration	Structure	2005	13	29	41	
1YKD	15708973	Crystal Structure of the Tandem GAF Domains from a Cyanobacterial Adenylyl Cyclase: Novel Modes of Ligand-Binding and Dimerization	2005-01-17	2005-02-22	Martinez, S.E.,Bruder, S.,Schultz, A.,Zheng, N.,Schultz, J.E.,Beavo, J.A.,Linder, J.U.	Crystal structure of the tandem GAF domains from a cyanobacterial adenylyl cyclase: Modes of ligand binding and dimerization	Proc.Natl.Acad.Sci.USA	2005	102	3082	3087	
1YQF		Hypothetical protein from leishmania major unknown function sequence homologue to human p32 protein	2005-02-01	2005-02-22	Caruthers, J.,Merritt, E.A.,Structural Genomics of Pathogenic Protozoa Consortium (SGPP)	Hypothetical protein from leishmania major unknown function sequence homologue to human p32 protein	To be published	0	0	0	0	
1XO2	15689157	Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin	2004-10-05	2005-03-01	Lu, H.S.,Chang, D.J.,Baratte, B.,Meijer, L.,Schulze-Gahmen, U.	Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin.	J.Med.Chem.	2005	48	737	747	
1YZV	16199669	HYPOTHETICAL PROTEIN FROM TRYPANOSOMA CRUZI	2005-02-28	2005-03-08	Caruthers, J.,Zucker, F.,Worthey, E.,Myler, P.J.,Buckner, F.,Van Voorhuis, W.,Mehlin, C.,Boni, E.,Feist, T.,Luft, J.,Gulde, S.,Lauricella, A.,Kaluzhniy, O.,Anderson, L.,Le Trong, I.,Holmes, M.A.,Earnest, T.,Soltis, M.,Hodgson, K.O.,Hol, W.G.,Merritt, E.A.	Crystal structures and proposed structural/functional classification of three protozoan proteins from the isochorismatase superfamily.	Protein Sci.	2005	14	2887	2894	
1Y0L	15788533	Catalytic elimination antibody 34E4 in complex with hapten	2004-11-15	2005-04-05	Debler, E.W.,Ito, S.,Seebeck, F.P.,Heine, A.,Hilvert, D.,Wilson, I.A.	Structural origins of efficient proton abstraction from carbon by a catalytic antibody	Proc.Natl.Acad.Sci.USA	2005	102	4984	4989	
1YCG	15850383	X-ray Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric Oxide Reductase	2004-12-22	2005-04-19	Silaghi-Dumitrescu, R.,Kurtz Jr, D.M.,Ljungdahl, L.G.,Lanzilotta, W.N.	X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase.	Biochemistry	2005	44	6492	6501	
1YCH	15850383	X-ray Crystal Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric Oxide Reductase	2004-12-22	2005-04-19	Silaghi-Dumitrescu, R.,Kurtz Jr, D.M.,Ljungdahl, L.G.,Lanzilotta, W.N.	X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase.	Biochemistry	2005	44	6492	6501	
1Z5M	15772071	Crystal Structure Of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide Complexed with Human PDK1	2005-03-18	2005-04-19	Feldman, R.I.,Wu, J.M.,Polokoff, M.A.,Kochanny, M.J.,Dinter, H.,Zhu, D.,Biroc, S.L.,Alicke, B.,Bryant, J.,Yuan, S.,Buckman, B.O.,Lentz, D.,Ferrer, M.,Whitlow, M.,Adler, M.,Finster, S.,Chang, Z.,Arnaiz, D.O.	Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.	J.Biol.Chem.	2005	280	19867	19874	
1ZCZ	18260100	Crystal structure of Phosphoribosylaminoimidazolecarboxamide formyltransferase / IMP cyclohydrolase (TM1249) from THERMOTOGA MARITIMA at 1.88 A resolution	2005-04-13	2005-04-26	Axelrod, H.L.,McMullan, D.,Krishna, S.S.,Miller, M.D.,Elsliger, M.A.,Abdubek, P.,Ambing, E.,Astakhova, T.,Carlton, D.,Chiu, H.J.,Clayton, T.,Duan, L.,Feuerhelm, J.,Grzechnik, S.K.,Hale, J.,Han, G.W.,Haugen, J.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Koesema, E.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Quijano, K.,Reyes, R.,Rife, C.L.,van den Bedem, H.,Weekes, D.,White, A.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A.	Crystal structure of AICAR transformylase IMP cyclohydrolase (TM1249) from Thermotoga maritima at 1.88 A resolution.	Proteins	2008	71	1042	1049	
1T3R	15771427	HIV protease wild-type in complex with TMC114 inhibitor	2004-04-27	2005-05-03	Surleraux, D.L.,Tahri, A.,Verschueren, W.G.,Pille, G.M.,de Kock, H.A.,Jonckers, T.H.,Peeters, A.,De Meyer, S.,Azijn, H.,Pauwels, R.,de Bethune, M.P.,King, N.M.,Prabu-Jeyabalan, M.,Schiffer, C.A.,Wigerinck, P.B.	Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor	J.Med.Chem.	2005	48	1813	1822	
1T5F	15315440	arginase I-AOH complex	2004-05-04	2005-05-17	Shin, H.,Cama, E.,Christianson, D.W.	Design of amino acid aldehydes as transition-state analogue inhibitors of arginase	J.Am.Chem.Soc.	2004	126	10278	10284	
1Y33	15865427	Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant	2004-11-23	2005-05-17	Radisky, E.S.,Lu, C.J.,Kwan, G.,Koshland Jr., D.E.	Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2	Biochemistry	2005	44	6823	6830	
1Y3B	15865427	Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60S mutant	2004-11-24	2005-05-17	Radisky, E.S.,Lu, C.J.,Kwan, G.,Koshland Jr., D.E.	Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2	Biochemistry	2005	44	6823	6830	
1Y3D	15865427	Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant	2004-11-24	2005-05-17	Radisky, E.S.,Lu, C.J.,Kwan, G.,Koshland Jr., D.E.	Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2	Biochemistry	2005	44	6823	6830	
1YF6	15865437	Structure of a quintuple mutant of photosynthetic reaction center from rhodobacter sphaeroides	2004-12-30	2005-05-17	Paddock, M.L.,Chang, C.,Xu, Q.,Abresch, E.C.,Axelrod, H.L.,Feher, G.,Okamura, M.Y.	Quinone (Q(B)) Reduction by B-Branch Electron Transfer in Mutant Bacterial Reaction Centers from Rhodobacter sphaeroides: Quantum Efficiency and X-ray Structure.	Biochemistry	2005	44	6920	6928	
2A06	16024040	Bovine cytochrome bc1 complex with stigmatellin bound	2005-06-16	2005-06-21	Huang, L.S.,Cobessi, D.,Tung, E.Y.,Berry, E.A.	Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.	J.Mol.Biol.	2005	351	573	597	
2A0M	18542886	Arginase superfamily protein from Trypanosoma cruzi	2005-06-16	2005-07-05	Fan, E.,Baker, D.,Fields, S.,Gelb, M.H.,Buckner, F.S.,Van Voorhis, W.C.,Phizicky, E.,Dumont, M.,Mehlin, C.,Grayhack, E.,Sullivan, M.,Verlinde, C.,Detitta, G.,Meldrum, D.R.,Merritt, E.A.,Earnest, T.,Soltis, M.,Zucker, F.,Myler, P.J.,Schoenfeld, L.,Kim, D.,Worthey, L.,Lacount, D.,Vignali, M.,Li, J.,Mondal, S.,Massey, A.,Carroll, B.,Gulde, S.,Luft, J.,Desoto, L.,Holl, M.,Caruthers, J.,Bosch, J.,Robien, M.,Arakaki, T.,Holmes, M.,Le Trong, I.,Hol, W.G.	Structural genomics of pathogenic protozoa: an overview.	Methods Mol.Biol.	2008	426	497	513	
1YS3		Crystal Structure of the ATP binding domain of PrrB from Mycobacterium Tuberculosis	2005-02-07	2005-07-12	Nowak, E.,Panjikar, S.,Tucker, P.	Crystal structure of ATP binding domain of Hidtidine Kinase from MTB	To be Published	0	0	0	0	
1ZGO	16026155	High Resolution Crystal Structure of the Discosoma Red Fluorescent Protein (DsRed)	2005-04-21	2005-08-02	Tubbs, J.L.,Tainer, J.A.,Getzoff, E.D.	Crystallographic structures of discosoma red fluorescent protein with immature and mature chromophores: linking Peptide bond trans-cis isomerization and acylimine formation in chromophore maturation.	Biochemistry	2005	44	9833	9840	
2AHD		The Apo structure of Methanococcus jannaschii phosphodiesterase MJ0936	2005-07-27	2005-08-02	Chen, S.,Kim, R.,Kim, S.-H.	The Apo structure of Methanococcus jannaschii phosphodiesterase MJ0936	TO BE PUBLISHED	0	0	0	0	
1ZL3	15987897	Coupling of active site motions and RNA binding	2005-05-05	2005-08-09	Hoang, C.,Hamilton, C.S.,Mueller, E.G.,Ferre-D'Amare, A.R.	Precursor complex structure of pseudouridine synthase TruB suggests coupling of active site perturbations to an RNA-sequestering peripheral protein domain	Protein Sci.	2005	14	2201	2206	
2A2J	16374842	Crystal structure of a putative pyridoxine 5'-phosphate oxidase (Rv2607) from Mycobacterium tuberculosis	2005-06-22	2005-08-23	Pedelacq, J.-D.,Rho, B.-S.,Kim, C.-Y.,Waldo, G.S.,Lekin, T.P.,Segelke, B.W.,Rupp, B.,Hung, L.-W.,Kim, S.-I.,Terwilliger, T.C.	Crystal structure of a putative pyridoxine 5'-phosphate oxidase (Rv2607) from Mycobacterium tuberculosis.	Proteins	2005	62	563	569	
1TP3		PDZ3 domain of PSD-95 protein complexed with KKETPV peptide ligand	2004-06-15	2005-09-20	Saro, D.,Martin, P.,Vickrey, J.F.,Griffin, A.,Kovari, L.C.,Spaller, M.R.	Structure of the third PDZ domain of PSD-95 protein complexed with KKETPV peptide ligand	To be Published	0	0	0	0	
1TP5		Crystal structure of PDZ3 domain of PSD-95 protein complexed with a peptide ligand KKETWV	2004-06-15	2005-09-20	Saro, D.,Wawrzak, Z.,Martin, P.,Vickrey, J.,Paredes, A.,Kovari, L.,Spaller, M.	Structure of the third PDZ domain of PSD-95 protein complexed with KKETWV peptide ligand	To be Published	0	0	0	0	
1ZCK	16142898	native structure prl-1 (ptp4a1)	2005-04-12	2005-09-20	Sun, J.P.,Wang, W.Q.,Yang, H.,Liu, S.,Liang, F.,Fedorov, A.A.,Almo, S.C.,Zhang, Z.Y.	Structure and Biochemical Properties of PRL-1, a Phosphatase Implicated in Cell Growth, Differentiation, and Tumor Invasion.	Biochemistry	2005	44	12009	12021	
1XR3	15544323	Actinorhodin Polyketide Ketoreductase with NADP and the Inhibitor Isoniazid bound	2004-10-13	2005-09-27	Korman, T.P.,Hill, J.A.,Vu, T.N.,Tsai, S.C.	Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity.	Biochemistry	2004	43	14529	14538	
1ZXC	16084720	Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor	2005-06-07	2005-09-27	Levin, J.I.,Chen, J.M.,Laakso, L.M.,Du, M.,Du, X.,Venkatesan, A.M.,Sandanayaka, V.,Zask, A.,Xu, J.,Xu, W.,Zhang, Y.,Skotnicki, J.S.	Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates.	Bioorg.Med.Chem.Lett.	2005	15	4345	4349	
2AW2	16169851	Crystal structure of the human BTLA-HVEM complex	2005-08-31	2005-09-27	Compaan, D.M.,Gonzalez, L.C.,Tom, I.,Loyet, K.M.,Eaton, D.,Hymowitz, S.G.	Attenuating Lymphocyte Activity: the crystal structure of the BTLA-HVEM complex	J.Biol.Chem.	2005	280	39553	39561	
2A9W	16204883	E. coli TS complexed with dUMP and inhibitor GA9	2005-07-12	2005-10-11	Finer-Moore, J.S.,Anderson, A.C.,O'Neil, R.H.,Costi, M.P.,Ferrari, S.,Krucinski, J.,Stroud, R.M.	The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.	Acta Crystallogr.,Sect.D	2005	61	1320	1334	
2ANY	16199530	Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors	2005-08-11	2005-10-11	Tang, J.,Yu, C.L.,Williams, S.R.,Springman, E.,Jeffery, D.,Sprengeler, P.A.,Estevez, A.,Sampang, J.,Shrader, W.,Spencer, J.,Young, W.,McGrath, M.,Katz, B.A.	Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.	J.Biol.Chem.	2005	280	41077	41089	
2BCM	16751628	DaaE adhesin	2005-10-19	2005-11-01	Korotkova, N.,Le Trong, I.,Samudrala, R.,Korotkov, K.,Van Loy, C.P.,Bui, A.L.,Moseley, S.L.,Stenkamp, R.E.	Crystal Structure and Mutational Analysis of the DaaE Adhesin of Escherichia coli.	J.Biol.Chem.	2006	281	22367	22377	
1ZZT	16285725	Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound	2005-06-14	2005-12-06	Li, H.,Flinspach, M.L.,Igarashi, J.,Jamal, J.,Yang, W.,Litzinger, E.A.,Huang, H.,Erdal, E.P.,Silverman, R.B.,Poulos, T.L.	Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.	Biochemistry	2005	44	15222	15229	
2F84		Crystal Structure of an orotidine-5'-monophosphate decarboxylase homolog from P.falciparum	2005-12-01	2005-12-20	Caruthers, J.M.,Robein, M.,Zucker, F.,Mehlin, C.,Luft, J.,Boni, E.,Lauricella, A.,Merritt, E.A.,Hol, W.G.J.	Crystal Structure of an orotidine-5'-monophosphate decarboxylase homolog from Plasmodium falciparum	To be Published	0	0	0	0	
1YAX	16406409	Cystal structure Analysis of S.typhimurium PhoQ sensor domain with Calcium	2004-12-17	2005-12-27	Cho, U.S.,Bader, M.W.,Amaya, M.F.,Daley, M.E.,Klevit, R.E.,Miller, S.I.,Xu, W.	Metal bridges between the PhoQ sensor domain and the membrane regulate transmembrane signaling.	J.Mol.Biol.	2006	356	1193	1206	
2AVT	16403212	Crystal structure of the beta subunit from DNA polymerase of Streptococcus pyogenes	2005-08-30	2006-01-24	Argiriadi, M.A.,Goedken, E.R.,Bruck, I.,O'donnell, M.,Kuriyan, J.	Crystal structure of a DNA polymerase sliding clamp from a Gram-positive bacterium.	Bmc Struct.Biol.	2006	6	2	2	
2A8H	16426848	Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor	2005-07-08	2006-02-07	Levin, J.I.,Chen, J.M.,Laakso, L.M.,Du, M.,Schmid, J.,Xu, W.,Cummons, T.,Xu, J.,Jin, G.,Barone, D.,Skotnicki, J.S.	Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.	Bioorg.Med.Chem.Lett.	2006	16	1605	1609	
2AYU	16432217	The structure of nucleosome assembly protein suggests a mechanism for histone binding and shuttling	2005-09-08	2006-02-07	Park, Y.J.,Luger, K.	The structure of nucleosome assembly protein 1.	Proc.Natl.Acad.Sci.Usa	2006	103	1248	1253	
2AYU	16432217	The structure of nucleosome assembly protein suggests a mechanism for histone binding and shuttling	2005-09-08	2006-02-07	Park, Y.J.,Luger, K.	The structure of nucleosome assembly protein 1.	Proc.Natl.Acad.Sci.Usa	2006	103	1248	1253	
2FXR	16681368	human beta tryptase II complexed with activated ketone inhibitor CRA-29382	2006-02-06	2006-02-09	McGrath, M.E.,Sprengeler, P.A.,Hirschbein, B.,Somoza, J.R.,Lehoux, I.,Janc, J.W.,Gjerstad, E.,Graupe, M.,Estiarte, A.,Venkataramani, C.,Liu, Y.,Yee, R.,Ho, J.D.,Green, M.J.,Lee, C.-S.,Liu, L.,Tai, V.,Spencer, J.,Sperandio, D.,Katz, B.A.	Structure-guided design of Peptide-based tryptase inhibitors.	Biochemistry	2006	45	5964	5973	
2B7D	16412633	Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model	2005-10-04	2006-02-14	Young, W.B.,Mordenti, J.,Torkelson, S.,Shrader, W.D.,Kolesnikov, A.,Rai, R.,Liu, L.,Hu, H.,Leahy, E.M.,Green, M.J.,Sprengeler, P.A.,Katz, B.A.,Yu, C.,Janc, J.W.,Elrod, K.C.,Marzec, U.M.,Hanson, S.R.	Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.	Bioorg.Med.Chem.Lett.	2006	16	2037	2041	
1YY4	15943471	Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol	2005-02-23	2006-02-28	Mewshaw, R.E.,Edsall Jr., R.J.,Yang, C.,Manas, E.S.,Xu, Z.B.,Henderson, R.A.,Keith Jr., J.C.,Harris, H.A.	ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity	J.Med.Chem.	2005	48	3953	3979	
1YYE	15943471	Crystal structure of estrogen receptor beta complexed with way-202196	2005-02-24	2006-02-28	Mewshaw, R.E.,Edsall Jr., R.J.,Yang, C.,Manas, E.S.,Xu, Z.B.,Henderson, R.A.,Keith Jr., J.C.,Harris, H.A.	ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity	J.Med.Chem.	2005	48	3953	3979	
2FPZ	16681368	Human tryptase with 2-amino benzimidazole	2006-01-17	2006-03-07	McGrath, M.E.,Sprengeler, P.A.,Hirschbein, B.,Somoza, J.R.,Lehoux, I.,Janc, J.W.,Gjerstad, E.,Graupe, M.,Estiarte, A.,Venkataramani, C.,Liu, Y.,Yee, R.,Ho, J.D.,Green, M.J.,Lee, C.-S.,Liu, L.,Tai, V.,Spencer, J.,Sperandio, D.,Katz, B.A.	Structure-guided design of Peptide-based tryptase inhibitors.	Biochemistry	2006	45	5964	5973	
1ZOQ	16154077	IRF3-CBP complex	2005-05-13	2006-03-21	Qin, B.Y.,Liu, C.,Srinath, H.,Lam, S.S.,Correia, J.J.,Derynck, R.,Lin, K.	Crystal structure of IRF-3 in complex with CBP.	Structure	2005	13	1269	1277	
2FQ9		Cathepsin S with nitrile inhibitor	2006-01-17	2006-03-21	Somoza, J.R.	Cathepsin S with nitrile inhibitor	To be Published	0	0	0	0	
2FS8	16681368	Human beta-tryptase II with inhibitor CRA-29382	2006-01-21	2006-03-21	McGrath, M.E.,Sprengeler, P.A.,Hirschbein, B.,Somoza, J.R.,Lehoux, I.,Janc, J.W.,Gjerstad, E.,Graupe, M.,Estiarte, A.,Venkataramani, C.,Liu, Y.,Yee, R.,Ho, J.D.,Green, M.J.,Lee, C.-S.,Liu, L.,Tai, V.,Spencer, J.,Sperandio, D.,Katz, B.A.	Structure-guided design of Peptide-based tryptase inhibitors.	Biochemistry	2006	45	5964	5973	
2G1U		CRYSTAL STRUCTURE OF A PUTATIVE TRANSPORT PROTEIN (TM1088A) FROM THERMOTOGA MARITIMA AT 1.50 A RESOLUTION	2006-02-14	2006-03-28	Joint Center for Structural Genomics (JCSG)	Crystal structure of  (tm1088a) from THERMOTOGA MARITIMA at 1.50 A resolution	To be published	0	0	0	0	
2BRV	16569416	Crystal structure of Streptococcus Pneumoniae Hyaluronate Lyase from 70percent saturated malonate.	2005-05-11	2006-04-05	Rigden, D.J.,Littlejohn, J.E.,Joshi, H.V.,De Groot, B.L.,Jedrzejas, M.J.	Alternate Structural Conformations of Streptococcus Pneumoniae Hyaluronan Lyase: Insights Into Enzyme Flexibility and Underlying Molecular Mechanism of Action.	J.Mol.Biol.	2006	358	1165	0	
2BRW	16569416	Crystal structure of Streptococcus Pneumoniae Hyaluronate Lyase from 30percent PEGMME.	2005-05-11	2006-04-05	Rigden, D.J.,Littlejohn, J.E.,Joshi, H.V.,De Groot, B.L.,Jedrzejas, M.J.	Alternate Structural Conformations of Streptococcus Pneumoniae Hyaluronan Lyase: Insights Into Enzyme Flexibility and Underlying Molecular Mechanism of Action.	J.Mol.Biol.	2006	358	1165	0	
1WZA	16647060	Crystal structure of alpha-amylase from H.orenii	2005-03-03	2006-04-11	Sivakumar, N.,Li, N.,Tang, J.W.,Patel, B.K.,Swaminathan, K.	Crystal structure of AmyA lacks acidic surface and provide insights into protein stability at poly-extreme condition.	Febs Lett.	2006	580	2646	2652	
2EUO	16490206	Cytochrome c peroxidase (CCP) in complex with 1-methyl-1-lambda-5-pyridin-3-yl-amine	2005-10-29	2006-04-11	Brenk, R.,Vetter, S.W.,Boyce, S.E.,Goodin, D.B.,Shoichet, B.K.	Probing molecular docking in a charged model binding site.	J.Mol.Biol.	2006	357	1449	1470	
2GDD		Human beta II tryptase with inhibitor CRA-27592	2006-03-15	2006-04-11	Somoza, J.R.	Human beta II tryptase with inhibitor CRA-27592	To be Published	0	0	0	0	
2ESF	16584170	Identification of a Novel Non-Catalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase	2005-10-26	2006-04-18	Cronk, J.D.,Rowlett, R.S.,Zhang, K.Y.J.,Tu, C.,Endrizzi, J.A.,Lee, J.,Gareiss, P.C.,Preiss, J.R.	Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase.	Biochemistry	2006	45	4351	4361	
2G0C	16611943	Structure of the RNA binding domain (residues 404-479) of the Bacillus subtilis YxiN protein	2006-02-11	2006-04-18	Wang, S.,Hu, Y.,Overgaard, M.T.,Karginov, F.V.,Uhlenbeck, O.C.,McKay, D.B.	The domain of the Bacillus subtilis DEAD-box helicase YxiN that is responsible for specific binding of 23S rRNA has an RNA recognition motif fold.	RNA	2006	12	959	967	
2GFS	16509574	P38 Kinase Crystal Structure in complex with RO3201195	2006-03-23	2006-04-18	Goldstein, D.M.,Alfredson, T.A.,Bertrand, J.,Browner, M.F.,Clifford, K.,Dalrymple, S.,Dunn, J.,Freire-Moare, J.,Harris, S.F.,Labadie, S.S.,La Fargue, J.,Lapierre, J.M.,Larrabee, S.,Li, F.,Papp, E.,McWeeney, D.,Ramesha, C.,Roberts, R.,Rotstein, D.,San Pablo, B.,Sjogren, E.,So, O.Y.,Talamas, F.X.,Tao, W.,Trejo, A.,Villasenor, A.,Welch, M.,Welch, T.,Weller, P.,Whiteley, P.E.,Young, K.,Zipfel, S.	Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase	J.Med.Chem.	2006	49	1562	1575	
2BRP	16638841	Crystal structure of S. pneumoniae hyaluronate lyase in complex with W249b	2005-05-10	2006-04-24	Rigden, D.J.,Botzki, A.,Nukui, M.,Mewbourne, R.B.,Lamani, E.,Braun, S.,von Angerer, E.,Bernhardt, G.,Dove, S.,Buschauer, A.,Jedrzejas, M.J.	Design of new benzoxazole-2-thione-derived inhibitors of Streptococcus pneumoniae hyaluronan lyase: structure of a complex with a 2-phenylindole.	Glycobiology	2006	16	757	765	
2GOO	16672363	Ternary Complex of BMP-2 bound to BMPR-Ia-ECD and ActRII-ECD	2006-04-13	2006-05-09	Allendorph, G.P.,Vale, W.W.,Choe, S.	Structure of the ternary signaling complex of a TGF-beta superfamily member.	Proc.Natl.Acad.Sci.Usa	2006	103	7643	7648	
1ZTQ	16005220	Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033	2005-05-27	2006-05-30	Wu, J.,Rush III, T.S.,Hotchandani, R.,Du, X.,Geck, M.,Collins, E.,Xu, Z.B.,Skotnicki, J.,Levin, J.I.,Lovering, F.E.	Identification of potent and selective MMP-13 inhibitors	Bioorg.Med.Chem.Lett.	2005	15	4105	4109	
2FLD	16738662	I-MsoI Re-Designed for Altered DNA Cleavage Specificity	2006-01-05	2006-06-06	Ashworth, J.,Havranek, J.J.,Duarte, C.M.,Sussman, D.,Monnat, R.J.,Stoddard, B.L.,Baker, D.	Computational redesign of endonuclease DNA binding and cleavage specificity.	Nature	2006	441	656	659	
2F2C	16789739	X-ray structure of human CDK6-Vcyclinwith the inhibitor aminopurvalanol	2005-11-16	2006-06-13	Lu, H.,Schulze-Gahmen, U.	Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition.	J.Med.Chem.	2006	49	3826	3831	
2H2B	16737969	Crystal Structure of ZO-1 PDZ1 Bound to a Phage-Derived Ligand (WRRTTYL)	2006-05-18	2006-06-13	Appleton, B.A.,Zhang, Y.,Wu, P.,Yin, J.P.,Hunziker, W.,Skelton, N.J.,Sidhu, S.S.,Wiesmann, C.	Comparative structural analysis of the Erbin PDZ domain and the first PDZ domain of ZO-1. Insights into determinants of PDZ domain specificity.	J.Biol.Chem.	2006	281	22312	22320	
2H2C	16737969	Crystal Structure of ZO-1 PDZ1 Bound to a Phage-Derived Ligand (WRRTTWV)	2006-05-18	2006-06-13	Appleton, B.A.,Zhang, Y.,Wu, P.,Yin, J.P.,Hunziker, W.,Skelton, N.J.,Sidhu, S.S.,Wiesmann, C.	Comparative structural analysis of the Erbin PDZ domain and the first PDZ domain of ZO-1. Insights into determinants of PDZ domain specificity.	J.Biol.Chem.	2006	281	22312	22320	
2B1H	16731948	Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG29 peptide	2005-09-15	2006-07-04	Stanfield, R.L.,Gorny, M.K.,Zolla-Pazner, S.,Wilson, I.A.	Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity.	J.Virol.	2006	80	6093	6105	
2BBA	16472751	Crystal Structure and Thermodynamic Characterization of the EphB4 Receptor in Complex with an ephrin-B2 Antagonist Peptide Reveals the Determinants for Receptor Specificity.	2005-10-17	2006-07-18	Chrencik, J.E.,Brooun, A.,Recht, M.I.,Kraus, M.L.,Koolpe, M.,Kolatkar, A.R.,Bruce, R.H.,Martiny-Baron, G.,Widmer, H.,Pasquale, E.B.,Kuhn, P.	Structure and thermodynamic characterization of the EphB4/Ephrin-B2 antagonist peptide complex reveals the determinants for receptor specificity.	Structure	2006	14	321	330	
2FRQ		Human Cathepsin S with Inhibitor CRA-26871	2006-01-19	2006-07-25	Somoza, J.R.	Human Cathepsin S with Inhibitor CRA-26871	To be Published	0	0	0	0	
2FT2		Human Cathepsin S with Inhibitor CRA-29728	2006-01-23	2006-07-25	Somoza, J.R.	Human Cathepsin S with Inhibitor CRA-29728	To be Published	0	0	0	0	
2H5X	16880543	RuvA from Mycobacterium tuberculosis	2006-05-28	2006-08-15	Prabu, J.R.,Thamotharan, S.,Khanduja, J.S.,Alipio, E.Z.,Kim, C.Y.,Waldo, G.S.,Terwilliger, T.C.,Segelke, B.,Lekin, T.,Toppani, D.,Hung, L.W.,Yu, M.,Bursey, E.,Muniyappa, K.,Chandra, N.R.,Vijayan, M.	Structure of Mycobacterium tuberculosis RuvA, a protein involved in recombination.	ACTA CRYSTALLOGR.,SECT.F	2006	62	731	734	
2HPT	16938892	Crystal Structure of E. coli PepN (Aminopeptidase N)in complex with Bestatin	2006-07-17	2006-08-15	Addlagatta, A.,Gay, L.,Matthews, B.W.	Structure of aminopeptidase N from Escherichia coli suggests a compartmentalized, gated active site.	Proc.Natl.Acad.Sci.Usa	2006	103	13339	13344	
2G7Y		Human Cathepsin S with inhibitor CRA-16981	2006-03-01	2006-09-05	Somoza, J.R.	Human Cathepsin S with inhibitor CRA-16981	To be Published	0	0	0	0	
2HOL	16962976	Crystal structure of an E. coli thi-box riboswitch bound to thiamine pyrophosphate, barium ions	2006-07-14	2006-09-19	Edwards, T.E.,Ferre-D'Amare, A.R.	Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition	Structure	2006	14	1459	1468	
2GCS	16990543	Pre-cleavage state of the Thermoanaerobacter tengcongensis glmS ribozyme	2006-03-14	2006-09-26	Klein, D.J.,Ferre-D'Amare, A.R.	Structural basis of glmS ribozyme activation by glucosamine-6-phosphate	Science	2006	313	1752	1756	
2H0W	16990543	Post-cleavage state of the Thermoanaerobacter tengcongensis glmS ribozyme	2006-05-15	2006-09-26	Klein, D.J.,Ferre-D'Amare, A.R.	Structural basis of glmS ribozyme activation by glucosamine-6-phosphate	Science	2006	313	1752	1756	
2HO6	16990543	Post-cleavage state of the Thermoanaerobacter tengcongensis glmS ribozyme	2006-07-13	2006-09-26	Klein, D.J.,Ferre-D'Amare, A.R.	Structural basis of glmS ribozyme activation by glucosamine-6-phosphate	Science	2006	313	1752	1756	
2HO7	16990543	Pre-cleavage state of the Thermoanaerobacter tengcongensis glmS ribozyme bound to glucose-6-phosphate	2006-07-13	2006-09-26	Klein, D.J.,Ferre-D'Amare, A.R.	Structural basis of glmS ribozyme activation by glucosamine-6-phosphate	Science	2006	313	1752	1756	
2I35	17060607	Crystal structure of rhombohedral crystal form of ground-state rhodopsin	2006-08-17	2006-10-17	Salom, D.,Lodowski, D.T.,Stenkamp, R.E.,Trong, I.L.,Golczak, M.,Jastrzebska, B.,Harris, T.,Ballesteros, J.A.,Palczewski, K.	Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.	Proc.Natl.Acad.Sci.Usa	2006	103	16123	16128	
2IFY	17085493	Structure of Bacillus anthracis cofactor-independent phosphoglucerate mutase	2006-09-21	2006-10-24	Nukui, M.,Mello, L.V.,Littlejohn, J.E.,Setlow, B.,Setlow, P.,Kim, K.,Leighton, T.,Jedrzejas, M.J.	Structure and Molecular Mechanism of Bacillus anthracis Cofactor-Independent Phosphoglycerate Mutase: A Crucial Enzyme for Spores and Growing Cells of Bacillus Species.	Biophys.J.	2007	92	977	988	
2GL7	17052462	Crystal Structure of a beta-catenin/BCL9/Tcf4 complex	2006-04-04	2006-10-31	Sampietro, J.,Dahlberg, C.L.,Cho, U.S.,Hinds, T.R.,Kimelman, D.,Xu, W.	Crystal Structure of a beta-Catenin/BCL9/Tcf4 Complex.	Mol.Cell	2006	24	293	300	
2HFG	16840730	Crystal structure of hBR3 bound to CB3s-Fab	2006-06-23	2006-11-07	Lee, C.V.,Hymowitz, S.G.,Wallweber, H.J.,Gordon, N.C.,Billeci, K.L.,Tsai, S.P.,Compaan, D.M.,Yin, J.,Gong, Q.,Kelley, R.F.,Deforge, L.E.,Martin, F.,Starovasnik, M.A.,Fuh, G.	Synthetic anti-BR3 antibodies that mimic BAFF binding and target both human and murine B cells.	Blood	2006	108	3103	3111	
2HY8		PAK1 complex with ST2001	2006-08-04	2006-11-07	Lu, H.,Lei, M.,Schulze-Gahmen, U.	Crystal Structure of the Complex Between Human Pak1-kinase and 3-Hydroxystaurosporine	To be Published	0	0	0	0	
2I0E	17115692	Structure of catalytic domain of human protein kinase C beta II complexed with a bisindolylmaleimide inhibitor	2006-08-10	2006-11-14	Grodsky, N.,Li, Y.,Bouzida, D.,Love, R.,Jensen, J.,Nodes, B.,Nonomiya, J.,Grant, S.	Structure of the Catalytic Domain of Human Protein Kinase C beta II Complexed with a Bisindolylmaleimide Inhibitor	Biochemistry	2006	45	13970	13981	
2H43	17115691	Crystal Structure of Human Fragment D Complexed with Ala-His-Arg-Pro-amide	2006-05-23	2006-12-05	Doolittle, R.F.,Chen, A.,Pandi, L.	Differences in Binding Specificity for the Homologous gamma- and beta-Chain ""Holes"" on Fibrinogen: Exclusive Binding of Ala-His-Arg-Pro-amide by the beta-Chain Hole.	Biochemistry	2006	45	13962	13969	
2I47	17064892	Crystal structure of catalytic domain of TACE with inhibitor	2006-08-21	2006-12-05	Condon, J.S.,Joseph-McCarthy, D.,Levin, J.I.,Lombart, H.G.,Lovering, F.E.,Sun, L.,Wang, W.,Xu, W.,Zhang, Y.	Identification of potent and selective TACE inhibitors via the S1 pocket.	Bioorg.Med.Chem.Lett.	2007	17	34	39	
2OF2	17276681	crystal structure of furanopyrimidine 8 bound to lck	2007-01-02	2007-02-27	Martin, M.W.,Newcomb, J.,Nunes, J.J.,Bemis, J.E.,McGowan, D.C.,White, R.D.,Buchanan, J.L.,Dimauro, E.F.,Boucher, C.,Faust, T.,Hsieh, F.,Huang, X.,Lee, J.H.,Schneider, S.,Turci, S.M.,Zhu, X.	Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties.	Bioorg.Med.Chem.Lett.	2007	17	2299	2304	
2OIN	17556358	crystal structure of HCV NS3-4A R155K mutant	2007-01-11	2007-06-05	Zhou, Y.,Muh, U.,Hanzelka, B.L.,Bartels, D.J.,Wei, Y.,Rao, B.G.,Brennan, D.L.,Tigges, A.M.,Swenson, L.,Kwong, A.D.,Lin, C.	Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha.	J.Biol.Chem.	2007	282	22619	22628	
2PRS	18027003	Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli	2007-05-04	2007-06-05	Yatsunyk, L.A.,Easton, J.A.,Kim, L.R.,Sugarbaker, S.A.,Bennett, B.,Breece, R.M.,Vorontsov, I.I.,Tierney, D.L.,Crowder, M.W.,Rosenzweig, A.C.	Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli.	J.Biol.Inorg.Chem.	2008	13	271	288	
2PE1	17531483	CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX	2007-04-01	2007-06-12	Islam, I.,Bryant, J.,Chou, Y.L.,Kochanny, M.J.,Lee, W.,Phillips, G.B.,Yu, H.,Adler, M.,Whitlow, M.,Ho, E.,Lentz, D.,Polokoff, M.A.,Subramanyam, B.,Wu, J.M.,Zhu, D.,Feldman, R.I.,Arnaiz, D.O.	Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.	Bioorg.Med.Chem.Lett.	2007	17	3814	3818	
2PE2	17544272	CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX	2007-04-01	2007-06-19	Islam, I.,Brown, G.,Bryant, J.,Hrvatin, P.,Kochanny, M.J.,Phillips, G.B.,Yuan, S.,Adler, M.,Whitlow, M.,Lentz, D.,Polokoff, M.A.,Wu, J.,Shen, J.,Walters, J.,Ho, E.,Subramanyam, B.,Zhu, D.,Feldman, R.I.,Arnaiz, D.O.	Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.	Bioorg.Med.Chem.Lett.	2007	17	3819	3825	
2PF4	17608567	Crystal structure of the full-length simian virus 40 small t antigen complexed with the protein phosphatase 2A Aalpha subunit	2007-04-03	2007-08-07	Cho, U.S.,Morrone, S.,Sablina, A.A.,Arroyo, J.D.,Hahn, W.C.,Xu, W.	Structural basis of PP2A inhibition by small t antigen.	Plos Biol.	2007	5	0	0	
2PW8	17685615	Crystal structure of sulfo-hirudin complexed to thrombin	2007-05-10	2007-08-21	Liu, C.C.,Brustad, E.,Liu, W.,Schultz, P.G.	Crystal structure of a biosynthetic sulfo-hirudin complexed to thrombin.	J.Am.Chem.Soc.	2007	129	10648	10649	
2V8N	17881559	Wild-type Structure of Lactose Permease	2007-08-09	2007-09-11	Guan, L.,Mirza, O.,Verner, G.,Iwata, S.,Kaback, H.R.	Structural Determination of Wild-Type Lactose Permease.	Proc.Natl.Acad.Sci.USA	2007	104	15294	0	
2Z64	17803912	Crystal structure of mouse TLR4 and mouse MD-2 complex	2007-07-22	2007-09-18	Kim, H.M.,Park, B.S.,Kim, J.-I.,Kim, S.E.,Lee, J.,Oh, S.C.,Enkhbayar, P.,Matsushima, N.,Lee, H.,Yoo, O.J.,Lee, J.-O.	Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran	Cell(Cambridge,Mass.)	2007	130	906	917	
2O3K		Yeast Cytosine Deaminase D92E Triple Mutant bound to transition state analogue HPY	2006-12-01	2007-10-16	Stolworthy, T.,Korkegian, A.M.,Willmon, C.,Stoddard, B.L.,Black, M.E.	Crystal structure of Yeast Cytosine Deaminase D92E Triple Mutant bound to transition state analogue HPY	To be Published	0	0	0	0	
2IOU	18532877	Major Tropism Determinant P1 (Mtd-P1) Variant Complexed with Bordetella brochiseptica Virulence Factor Pertactin extracellular domain (Prn-E).	2006-10-10	2007-10-23	Miller, J.L.,Le Coq, J.,Hodes, A.,Barbalat, R.,Miller, J.F.,Ghosh, P.	Selective Ligand Recognition by a Diversity-Generating Retroelement Variable Protein	Plos Biol.	2008	6	0	0	
2Z4E	17688324	Crystal Structure of D-Dimer from Human Fibrin Complexed with Gly-His-Arg-Pro-Tyr-amide	2007-06-16	2007-10-23	Doolittle, R.F.,Pandi, L.	Probing the beta-chain hole of fibrinogen with synthetic peptides that differ at their amino termini	Biochemistry	2007	46	10033	10038	
2O6M	17516660	H98Q mutant of the homing endonuclease I-PPOI complexed with DNA	2006-12-07	2007-10-30	Eastberg, J.H.,Eklund, J.,Monnat, R.,Stoddard, B.L.	Mutability of an HNH nuclease imidazole general base and exchange of a deprotonation mechanism.	Biochemistry	2007	46	7215	7225	
2RAW	17881355	Crystal structure of the Borealin-Survivin complex	2007-09-17	2007-10-30	Bourhis, E.,Hymowitz, S.G.,Cochran, A.G.	The mitotic regulator Survivin binds as a monomer to its functional interactor Borealin.	J.Biol.Chem.	2007	282	35018	35023	
2P3W	17962403	Crystal Structure of the HtrA3 PDZ Domain Bound to a Phage-Derived Ligand (FGRWV)	2007-03-09	2007-11-06	Runyon, S.T.,Zhang, Y.,Appleton, B.A.,Sazinsky, S.L.,Wu, P.,Pan, B.,Wiesmann, C.,Skelton, N.J.,Sidhu, S.S.	Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3.	Protein Sci.	2007	16	2454	2471	
2QQJ	17989695	Crystal Structure of the b1b2 Domains from Human Neuropilin-2	2007-07-26	2007-11-20	Appleton, B.A.,Wu, P.,Maloney, J.,Yin, J.,Liang, W.C.,Stawicki, S.,Mortara, K.,Bowman, K.K.,Elliott, J.M.,Desmarais, W.,Bazan, J.F.,Bagri, A.,Tessier-Lavigne, M.,Koch, A.W.,Wu, Y.,Watts, R.J.,Wiesmann, C.	Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding	Embo J.	2007	26	4902	4912	
2QQO	17989695	Crystal Structure of the a2b1b2 Domains from Human Neuropilin-2	2007-07-26	2007-11-20	Appleton, B.A.,Wu, P.,Maloney, J.,Yin, J.,Liang, W.C.,Stawicki, S.,Mortara, K.,Bowman, K.K.,Elliott, J.M.,Desmarais, W.,Bazan, J.F.,Bagri, A.,Tessier-Lavigne, M.,Koch, A.W.,Wu, Y.,Watts, R.J.,Wiesmann, C.	Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding	Embo J.	2007	26	4902	4912	
2OI0	17289381	Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide	2007-01-10	2007-11-27	Govinda Rao, B.,Bandarage, U.K.,Wang, T.,Come, J.H.,Perola, E.,Wei, Y.,Tian, S.K.,Saunders, J.O.	Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides	Bioorg.Med.Chem.Lett.	2007	17	2250	2253	
2I0K	16856877	Cholesterol Oxidase from Brevibacterium sterolicum- His121Ala Mutant	2006-08-10	2007-12-11	Lim, L.,Molla, G.,Guinn, N.,Ghisla, S.,Pollegioni, L.,Vrielink, A.	Structural and kinetic analyses of the H121A mutant of cholesterol oxidase.	Biochem.J.	2006	400	13	22	
3BGQ	18290603	Human Pim-1 kinase in complex with an triazolo pyridazine inhibitor VX2	2007-11-27	2007-12-11	Pierce, A.C.,Jacobs, M.,Stuver-Moody, C.	Docking study yields four novel inhibitors of the protooncogene pim-1 kinase.	J.Med.Chem.	2008	51	1972	1975	
3BGZ	18290603	Human Pim-1 kinase in complex with diphenyl indole inhibitor VX3	2007-11-27	2007-12-11	Pierce, A.C.,Jacobs, M.,Stuver-Moody, C.	Docking study yields four novel inhibitors of the protooncogene pim-1 kinase.	J.Med.Chem.	2008	51	1972	1975	
2QWO	17996706	Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #1	2007-08-10	2007-12-18	Jiang, J.,Maes, E.G.,Taylor, A.B.,Wang, L.,Hinck, A.P.,Lafer, E.M.,Sousa, R.	Structural basis of J cochaperone binding and regulation of Hsp70.	Mol.Cell	2007	28	422	433	
2QWP	17996706	Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #2	2007-08-10	2007-12-18	Jiang, J.,Maes, E.G.,Taylor, A.B.,Wang, L.,Hinck, A.P.,Lafer, E.M.,Sousa, R.	Structural basis of J cochaperone binding and regulation of Hsp70.	Mol.Cell	2007	28	422	433	
3B92	18054488	Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones	2007-11-02	2007-12-18	Bandarage, U.K.,Wang, T.,Come, J.H.,Perola, E.,Wei, Y.,Rao, B.G.	Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones.	Bioorg.Med.Chem.Lett.	2008	18	44	48	
2R0L	18077410	Short Form HGFA with Inhibitory Fab75	2007-08-20	2007-12-25	Wu, Y.,Eigenbrot, C.,Liang, W.C.,Stawicki, S.,Shia, S.,Fan, B.,Ganesan, R.,Lipari, M.T.,Kirchhofer, D.	Structural insight into distinct mechanisms of protease inhibition by antibodies.	Proc.Natl.Acad.Sci.Usa	2007	104	19784	19789	
2QSQ	18086185	Crystal structure of the N-terminal domain of carcinoembryonic antigen (CEA)	2007-07-31	2008-01-01	Korotkova, N.,Yang, Y.,Le Trong, I.,Cota, E.,Demeler, B.,Marchant, J.,Thomas, W.E.,Stenkamp, R.E.,Moseley, S.L.,Matthews, S.	Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.	Mol.Microbiol.	2008	67	420	434	
2OQJ	18198210	Crystal structure analysis of Fab 2G12 in complex with peptide 2G12.1	2007-01-31	2008-01-15	Menendez, A.,Calarese, D.A.,Stanfield, R.L.,Chow, K.C.,Scanlan, C.N.,Kunert, R.,Katinger, H.,Burton, D.R.,Wilson, I.A.,Scott, J.K.	A peptide inhibitor of HIV-1 neutralizing antibody 2G12 is not a structural mimic of the natural carbohydrate epitope on gp120.	Faseb J.	2008	22	1380	1392	
2P24	18155234	I-Au/MBP125-135	2007-03-06	2008-01-15	McBeth, C.,Seamons, A.,Pizarro, J.C.,Fleishman, S.J.,Baker, D.,Kortemme, T.,Goverman, J.M.,Strong, R.K.	A new twist in TCR diversity revealed by a forbidden alphabeta TCR.	J.Mol.Biol.	2008	375	1306	1319	
2Z2R	18068721	Nucleosome assembly proteins I (NAP-1, 74-365)	2007-05-25	2008-03-11	Park, Y.J.,McBryant, S.J.,Luger, K.	A beta-hairpin comprising the nuclear localization sequence sustains the self-associated states of nucleosome assembly protein 1	J.Mol.Biol.	2008	375	1076	1085	
2QBR	17705360	Crystal structure of ptp1b-inhibitor complex	2007-06-18	2008-03-18	Wilson, D.P.,Wan, Z.K.,Xu, W.X.,Kirincich, S.J.,Follows, B.C.,Joseph-McCarthy, D.,Foreman, K.,Moretto, A.,Wu, J.,Zhu, M.,Binnun, E.,Zhang, Y.L.,Tam, M.,Erbe, D.V.,Tobin, J.,Xu, X.,Leung, L.,Shilling, A.,Tam, S.Y.,Mansour, T.S.,Lee, J.	Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.	J.Med.Chem.	2007	50	4681	4698	
3CFD	18309081	Purple-fluorescent antibody EP2-25C10 in complex with its stilbene hapten	2008-03-03	2008-03-18	Debler, E.W.,Kaufmann, G.F.,Meijler, M.M.,Heine, A.,Mee, J.M.,Pljevaljcic, G.,Di Bilio, A.J.,Schultz, P.G.,Millar, D.P.,Janda, K.D.,Wilson, I.A.,Gray, H.B.,Lerner, R.A.	Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex.	Science	2008	319	1232	1235	
2VKJ	18369189	Structure of the soluble domain of the membrane protein TM1634 from Thermotoga maritima	2007-12-19	2008-04-08	Mccleverty, C.J.,Columbus, L.,Kreusch, A.,Lesley, S.A.	Structure and Ligand Binding of the Soluble Domain of a Thermotoga Maritima Membrane Protein of Unknown Function Tm1634.	Protein Sci.	2008	17	869	0	
2VKO	18369189	Structure of the soluble domain of the membrane protein TM1634 from Thermotoga maritima	2007-12-20	2008-04-08	Mccleverty, C.J.,Columbus, L.,Kreusch, A.,Lesley, S.A.	Structure and Ligand Binding of the Soluble Domain of a Thermotoga Maritima Membrane Protein of Unknown Function Tm1634.	Protein Sci.	2008	17	869	0	
2R7E	17965321	Crystal Structure Analysis of Coagulation Factor VIII	2007-09-07	2008-04-15	Shen, B.W.,Spiegel, P.C.,Chang, C.H.,Huh, J.W.,Lee, J.S.,Kim, J.,Kim, Y.H.,Stoddard, B.L.	The tertiary structure and domain organization of coagulation factor VIII.	Blood	2008	111	1240	1247	
2RES	18388203	Tetracenomycin ARO/CYC mutant R69A	2007-09-26	2008-04-22	Ames, B.D.,Korman, T.P.,Zhang, W.,Smith, P.,Vu, T.,Tang, Y.,Tsai, S.C.	Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.	Proc.Natl.Acad.Sci.Usa	2008	105	5349	5354	
3CF3	18462676	Structure of P97/vcp in complex with ADP	2008-03-01	2008-04-22	Davies, J.M.,Brunger, A.T.,Weis, W.I.	Improved structures of full-length p97, an AAA ATPase: implications for mechanisms of nucleotide-dependent conformational change.	Structure	2008	16	715	726	
3CHQ	18394906	Crystal structure of leukotriene a4 hydrolase in complex with N5-[4-(phenylmethoxy)phenyl]-L-glutamine	2008-03-10	2008-04-22	Kirkland, T.A.,Adler, M.,Bauman, J.G.,Chen, M.,Haeggstrom, J.Z.,King, B.,Kochanny, M.J.,Liang, A.M.,Mendoza, L.,Phillips, G.B.,Thunnissen, M.,Trinh, L.,Whitlow, M.,Ye, B.,Ye, H.,Parkinson, J.,Guilford, W.J.	Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.	Bioorg.Med.Chem.	2008	16	4963	4983	
3D53		2.2 A crystal structure of inorganic pyrophosphatase from Rickettsia prowazekii	2008-05-15	2008-05-27	Seattle Structural Genomics Center for Infectious Disease (SSGCID)	2.2 A crystal structure of inorganic pyrophosphatase from Rickettsia prowazekii.	To be Published	0	0	0	0	
3CBD		Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3	2008-02-21	2008-07-01	Fasan, R.,Meharenna, Y.T.,Li, H.,Snow, C.D.,Poulos, T.L.,Arnold, F.H.	Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3	To be Published	0	0	0	0	
3C9W	18571434	Crystal Structure of ERK-2 with hypothemycin covalently bound	2008-02-18	2008-07-08	Rastelli, G.,Rosenfeld, R.,Reid, R.,Santi, D.V.	Molecular modeling and crystal structure of ERK2-hypothemycin complexes	J.Struct.Biol.	2008	164	18	23	
3D63	23382856	Crystal structure of inorganic pyrophosphatase from Burkholderia pseudomallei	2008-05-18	2008-07-08	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3DOC		Crystal Structure of TrkA glyceraldehyde-3-phosphate dehydrogenase from Brucella melitensis	2008-07-03	2008-07-29	Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal Structure of TrkA glyceraldehyde-3-phosphate dehydrogenase from Brucella melitensis	To be Published	0	0	0	0	
2QV1		Crystal structure of HCV NS3-4A V36M mutant	2007-08-07	2008-08-19	Wei, Y.,Chao, L.	Phenotypic and Structural Analyses of HCV NS3 Protease Val36 Variants	To be Published	0	0	0	0	
3CB9	18652491	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	2008-02-21	2008-08-19	Lohman, J.R.,Remington, S.J.	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	Biochemistry	2008	47	8678	8688	
3CBE	18652491	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	2008-02-21	2008-08-19	Lohman, J.R.,Remington, S.J.	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	Biochemistry	2008	47	8678	8688	
3CD1	18652491	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	2008-02-26	2008-08-19	Lohman, J.R.,Remington, S.J.	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	Biochemistry	2008	47	8678	8688	
3CD9	18652491	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	2008-02-26	2008-08-19	Lohman, J.R.,Remington, S.J.	Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments	Biochemistry	2008	47	8678	8688	
3DI6	18632268	HIV-1 RT with pyridazinone non-nucleoside inhibitor	2008-06-19	2008-08-19	Sweeney, Z.K.,Dunn, J.P.,Li, Y.,Heilek, G.,Dunten, P.,Elworthy, T.R.,Han, X.,Harris, S.F.,Hirschfeld, D.R.,Hogg, J.H.,Huber, W.,Kaiser, A.C.,Kertesz, D.J.,Kim, W.,Mirzadegan, T.,Roepel, M.G.,Saito, Y.D.,Silva, T.M.,Swallow, S.,Tracy, J.L.,Villasenor, A.,Vora, H.,Zhou, A.S.,Klumpp, K.	Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.	Bioorg.Med.Chem.Lett.	2008	18	4352	4354	
2R7B	17941624	Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor	2007-09-07	2008-09-09	Gopalsamy, A.,Shi, M.,Boschelli, D.H.,Williamson, R.,Olland, A.M.,Hu, Y.,Krishnamurthy, G.,Han, X.,Arndt, K.,Guo, B.	Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors.	J.Med.Chem.	2007	50	5547	5549	
3CBC	18680288	Crystal structure of Siderocalin (NGAL, Lipocalin 2) Y106F complexed with Ferric Enterobactin	2008-02-21	2008-09-09	Abergel, R.J.,Clifton, M.C.,Pizarro, J.C.,Warner, J.A.,Shuh, D.K.,Strong, R.K.,Raymond, K.N.	The siderocalin/enterobactin interaction: a link between mammalian immunity and bacterial iron transport.	J.Am.Chem.Soc.	2008	130	11524	11534	
3EG4		Crystal structure of 2,3,4,5-Tetrahydropyridine-2-carboxylate N-Succinyltransferase from Brucella melitensis biovar abortus 2308	2008-09-10	2008-09-23	SSGCID	Crystal structure of 2,3,4,5-Tetrahydropyridine-2-carboxylate N-Succinyltransferase from Brucella melitensis biovar abortus 2308	To be Published	0	0	0	0	
3EJ0	19855826	Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound N-(pyridin-3-ylmethyl) aniline, H32 crystal form	2008-09-17	2008-09-30	Van Voorhis, W.C.,Hol, W.G.,Myler, P.J.,Stewart, L.J.	The role of medical structural genomics in discovering new drugs for infectious diseases.	PLoS Comput Biol	2009	5	0	0	
3EJ2	23382856	Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile, H32 crystal form	2008-09-17	2008-09-30	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3EMJ		2.2 A crystal structure of inorganic pyrophosphatase from rickettsia prowazekii (p21 form)	2008-09-24	2008-10-07	Seattle Structural Genomics Center for Infectious Disease (SSGCID)	2.2 A crystal structure of inorganic pyrophosphatase from rickettsia prowazekii (p21 form)	To be Published	0	0	0	0	
3EL7	18940662	Crystal structure of c-Src in complex with pyrazolopyrimidine 3	2008-09-20	2008-10-28	Dar, A.C.,Lopez, M.S.,Shokat, K.M.	Small molecule recognition of c-Src via the Imatinib-binding conformation.	Chem.Biol.	2008	15	1015	1022	
3E4C	19117953	Procaspase-1 zymogen domain crystal structure	2008-08-11	2008-12-30	Elliott, J.M.,Rouge, L.,Wiesmann, C.,Scheer, J.M.	Crystal structure of procaspase-1 zymogen domain reveals insight into inflammatory caspase autoactivation	J.Biol.Chem.	2009	284	6546	6553	
3F5P	19041240	Complex Structure of Insulin-like Growth Factor Receptor and 3-Cyanoquinoline Inhibitor	2008-11-04	2008-12-30	Miller, L.M.,Mayer, S.C.,Berger, D.M.,Boschelli, D.H.,Boschelli, F.,Di, L.,Du, X.,Dutia, M.,Floyd, M.B.,Johnson, M.,Kenny, C.H.,Krishnamurthy, G.,Moy, F.,Petusky, S.,Tkach, D.,Torres, N.,Wu, B.,Xu, W.	Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment	Bioorg.Med.Chem.Lett.	2009	19	62	66	
3EH8	19103658	Crystal structure of Y2 I-AniI variant (F13Y/S111Y)/DNA complex with calcium	2008-09-11	2009-01-13	Takeuchi, R.,Certo, M.,Caprara, M.G.,Scharenberg, A.M.,Stoddard, B.L.	Optimization of in vivo activity of a bifunctional homing endonuclease and maturase reverses evolutionary degradation.	Nucleic Acids Res.	2009	37	877	890	
2ZJJ		Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide	2008-03-07	2009-01-20	Yang, W.,Fucini, R.V.,Fahr, B.T.,Randal, M.,Lind, K.E.,Lam, M.B.,Lu, W.,Lu, Y.,Cary, D.R.,Romanowski, M.J.	Fragment-based discovery of novel BACE1 inhibitors using Tethering technology	To be Published	0	0	0	0	
3F2B	19106298	DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mg and Zn	2008-10-29	2009-01-20	Evans, R.J.,Davies, D.R.,Bullard, J.M.,Christensen, J.,Green, L.S.,Guiles, J.W.,Pata, J.D.,Ribble, W.K.,Janjic, N.,Jarvis, T.C.	Structure of PolC reveals unique DNA binding and fidelity determinants.	Proc.Natl.Acad.Sci.USA	2008	105	20695	20700	
3F2C	19106298	DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP and Mn	2008-10-29	2009-01-20	Evans, R.J.,Davies, D.R.,Bullard, J.M.,Christensen, J.,Green, L.S.,Guiles, J.W.,Pata, J.D.,Ribble, W.K.,Janjic, N.,Jarvis, T.C.	Structure of PolC reveals unique DNA binding and fidelity determinants.	Proc.Natl.Acad.Sci.USA	2008	105	20695	20700	
3F2D	19106298	DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mn and Zn	2008-10-29	2009-01-20	Evans, R.J.,Davies, D.R.,Bullard, J.M.,Christensen, J.,Green, L.S.,Guiles, J.W.,Pata, J.D.,Ribble, W.K.,Janjic, N.,Jarvis, T.C.	Structure of PolC reveals unique DNA binding and fidelity determinants.	Proc.Natl.Acad.Sci.USA	2008	105	20695	20700	
3ET0	19116277	Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid	2008-10-06	2009-02-17	Artis, D.R.,Lin, J.J.,Zhang, C.,Wang, W.,Mehra, U.,Perreault, M.,Erbe, D.,Krupka, H.I.,England, B.P.,Arnold, J.,Plotnikov, A.N.,Marimuthu, A.,Nguyen, H.,Will, S.,Signaevsky, M.,Kral, J.,Cantwell, J.,Settachatgull, C.,Yan, D.S.,Fong, D.,Oh, A.,Shi, S.,Womack, P.,Powell, B.,Habets, G.,West, B.L.,Zhang, K.Y.,Milburn, M.V.,Vlasuk, G.P.,Hirth, K.P.,Nolop, K.,Bollag, G.,Ibrahim, P.N.,Tobin, J.F.	Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent	Proc.Natl.Acad.Sci.USA	2009	106	262	267	
3FS0	19220054	Class II ligase ribozyme product-template duplex, structure 2	2009-01-08	2009-02-24	Pitt, J.N.,Ferre-D'Amare, A.R.	Structure-guided engineering of the regioselectivity of RNA ligase ribozymes.	J.Am.Chem.Soc.	2009	131	3532	3540	
3FTM	19220054	Class II ligase ribozyme product-template duplex, structure 1	2009-01-13	2009-02-24	Pitt, J.N.,Ferre-D'Amare, A.R.	Structure-guided engineering of the regioselectivity of RNA ligase ribozymes.	J.Am.Chem.Soc.	2009	131	3532	3540	
3G0E	19164557	KIT kinase domain in complex with sunitinib	2009-01-27	2009-02-24	Gajiwala, K.S.,Wu, J.C.,Christensen, J.,Deshmukh, G.D.,Diehl, W.,DiNitto, J.P.,English, J.M.,Greig, M.J.,He, Y.A.,Jacques, S.L.,Lunney, E.A.,McTigue, M.,Molina, D.,Quenzer, T.,Wells, P.A.,Yu, X.,Zhang, Y.,Zou, A.,Emmett, M.R.,Marshall, A.G.,Zhang, H.M.,Demetri, G.D.	KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.	Proc.Natl.Acad.Sci.USA	2009	106	1542	1547	
3E0L	19470646	Computationally Designed Ammelide Deaminase	2008-07-31	2009-03-03	Murphy, P.M.,Bolduc, J.M.,Gallaher, J.L.,Stoddard, B.L.,Baker, D.	Alteration of enzyme specificity by computational loop remodeling and design.	Proc.Natl.Acad.Sci.USA	2009	106	9215	9220	
3FQE	19220318	Crystal structure of spleen tyrosine kinase complexed with YM193306	2009-01-07	2009-03-10	Villasenor, A.G.,Kondru, R.,Ho, H.,Wang, S.,Papp, E.,Shaw, D.,Barnett, J.W.,Browner, M.F.,Kuglstatter, A.	Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes.	Chem.Biol.Drug Des.	2009	73	466	470	
3FQH	19220318	Crystal structure of spleen tyrosine kinase complexed with a 2-substituted 7-azaindole	2009-01-07	2009-03-10	Villasenor, A.G.,Kondru, R.,Ho, H.,Wang, S.,Papp, E.,Shaw, D.,Barnett, J.W.,Browner, M.F.,Kuglstatter, A.	Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes.	Chem.Biol.Drug Des.	2009	73	466	470	
3FXY	19241384	Acidic Mammalian Chinase, Catalytic Domain	2009-01-21	2009-03-10	Olland, A.M.,Strand, J.,Presman, E.,Czerwinski, R.,Joseph-McCarthy, D.,Krykbaev, R.,Schlingmann, G.,Chopra, R.,Lin, L.,Fleming, M.,Kriz, R.,Stahl, M.,Somers, W.,Fitz, L.,Mosyak, L.	Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.	Protein Sci.	2009	18	569	578	
3FY1	19241384	The Acidic Mammalian Chitinase catalytic domain in complex with methylallosamidin	2009-01-21	2009-03-10	Olland, A.M.,Strand, J.,Presman, E.,Czerwinski, R.,Joseph-McCarthy, D.,Krykbaev, R.,Schlingmann, G.,Chopra, R.,Lin, L.,Fleming, M.,Kriz, R.,Stahl, M.,Somers, W.,Fitz, L.,Mosyak, L.	Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.	Protein Sci.	2009	18	569	578	
3F7H	19228017	Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic	2008-11-09	2009-03-17	Cohen, F.,Alicke, B.,Elliott, L.O.,Flygare, J.A.,Goncharov, T.,Keteltas, S.F.,Franklin, M.C.,Frankovitz, S.,Stephan, J.P.,Tsui, V.,Vucic, D.,Wong, H.,Fairbrother, W.J.	Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold	J.Med.Chem.	2009	52	1723	1730	
3G6G	19276351	Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations	2009-02-06	2009-03-24	Seeliger, M.A.,Ranjitkar, P.,Kasap, C.,Shan, Y.,Shaw, D.E.,Shah, N.P.,Kuriyan, J.,Maly, D.J.	Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations	Cancer Res.	2009	69	2384	2392	
3GJ1	19278226	Non photoactivated state of PA-GFP	2009-03-07	2009-03-24	Henderson, J.N.,Gepshtein, R.,Heenan, J.R.,Kallio, K.,Huppert, D.,Remington, S.J.	Structure and mechanism of the photoactivatable green fluorescent protein.	J.Am.Chem.Soc.	2009	131	4176	4177	
3GJ2	19278226	Photoactivated state of PA-GFP	2009-03-07	2009-03-24	Henderson, J.N.,Gepshtein, R.,Heenan, J.R.,Kallio, K.,Huppert, D.,Remington, S.J.	Structure and mechanism of the photoactivatable green fluorescent protein.	J.Am.Chem.Soc.	2009	131	4176	4177	
3FPM	19364658	Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2	2009-01-05	2009-04-07	Lovering, F.,Kirincich, S.,Wang, W.,Combs, K.,Resnick, L.,Sabalski, J.E.,Butera, J.,Liu, J.,Parris, K.,Telliez, J.B.	Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)	Bioorg.Med.Chem.	2009	17	3342	3351	
3GVH		Crystal structure of Lactate/malate dehydrogenase from Brucella melitensis	2009-03-31	2009-04-14	Abendroth, J.,Staker, B.	Crystal structure of Lactate/malate dehydrogenase from Brucella melitensis	To be Published	0	0	0	0	
3CMP		Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant complexed with Ferric Enterobactin	2008-03-24	2009-05-12	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be Published	0	0	0	0	
3HZG	25613812	Crystal structure of mycobacterium tuberculosis thymidylate synthase X bound with FAD	2009-06-23	2009-07-07	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3FTX	19618939	Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin	2009-01-13	2009-07-28	Davies, D.R.,Mamat, B.,Magnusson, O.T.,Christensen, J.,Haraldsson, M.H.,Mishra, R.,Pease, B.,Hansen, E.,Singh, J.,Zembower, D.,Kim, H.,Kiselyov, A.S.,Burgin, A.B.,Gurney, M.E.,Stewart, L.J.	Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.	J.Med.Chem.	2009	52	4694	4715	
3FUE	19618939	Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin	2009-01-14	2009-07-28	Davies, D.R.,Mamat, B.,Magnusson, O.T.,Christensen, J.,Haraldsson, M.H.,Mishra, R.,Pease, B.,Hansen, E.,Singh, J.,Zembower, D.,Kim, H.,Kiselyov, A.S.,Burgin, A.B.,Gurney, M.E.,Stewart, L.J.	Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.	J.Med.Chem.	2009	52	4694	4715	
3FUF	19618939	Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole and bestatin	2009-01-14	2009-07-28	Davies, D.R.,Mamat, B.,Magnusson, O.T.,Christensen, J.,Haraldsson, M.H.,Mishra, R.,Pease, B.,Hansen, E.,Singh, J.,Zembower, D.,Kim, H.,Kiselyov, A.S.,Burgin, A.B.,Gurney, M.E.,Stewart, L.J.	Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.	J.Med.Chem.	2009	52	4694	4715	
3EZ8	19622857	Crystal Structure of endoglucanase Cel9A from the thermoacidophilic Alicyclobacillus acidocaldarius	2008-10-22	2009-08-04	Pereira, J.H.,Sapra, R.,Volponi, J.V.,Kozina, C.L.,Simmons, B.,Adams, P.D.	Structure of endoglucanase Cel9A from the thermoacidophilic Alicyclobacillus acidocaldarius	Acta Crystallogr.,Sect.D	2009	65	744	750	
3IJP	27917836	Crystal structure of dihydrodipicolinate reductase from bartonella henselae at 2.0A resolution	2009-08-04	2009-08-11	Cala, A.R.,Nadeau, M.T.,Abendroth, J.,Staker, B.L.,Reers, A.R.,Weatherhead, A.W.,Dobson, R.C.,Myler, P.J.,Hudson, A.O.	The crystal structure of dihydrodipicolinate reductase from the human-pathogenic bacterium Bartonella henselae strain Houston-1 at 2.3 angstrom resolution.	Acta Crystallogr F Struct Biol	2016	72	885	891	
3I9G	19815502	Crystal structure of the LT1009 (SONEPCIZUMAB) antibody Fab fragment in complex with sphingosine-1-phosphate	2009-07-10	2009-09-29	Wojciak, J.M.,Zhu, N.,Schuerenberg, K.T.,Moreno, K.,Shestowsky, W.S.,Hiraiwa, M.,Sabbadini, R.,Huxford, T.	The crystal structure of sphingosine-1-phosphate in complex with a Fab fragment reveals metal bridging of an antibody and its antigen.	Proc.Natl.Acad.Sci.USA	2009	106	17717	17722	
3K1V	19234468	Cocrystal structure of a mutant class-I preQ1 riboswitch	2009-09-28	2009-10-06	Klein, D.J.,Edwards, T.E.,Ferre-D'Amare, A.R.	Cocrystal Structure of a Class I Preq1 Riboswitch Reveals a Pseudoknot Recognizing an Essential Hypermodified Nucleobase	Nat.Struct.Mol.Biol.	2009	16	343	0	
3IG6	19703768	Low molecular weigth human Urokinase type Plasminogen activator 2-[6-(3'-Aminomethyl-biphenyl-3-yloxy)-4-(3-dimethylamino-pyrrolidin-1-yl)-3,5-difluoro-pyridin-2-yloxy]-4-dimethylamino-benzoic acid complex	2009-07-27	2009-10-13	West, C.W.,Adler, M.,Arnaiz, D.,Chen, D.,Chu, K.,Gualtieri, G.,Ho, E.,Huwe, C.,Light, D.,Phillips, G.,Pulk, R.,Sukovich, D.,Whitlow, M.,Yuan, S.,Bryant, J.	Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA)	Bioorg.Med.Chem.Lett.	2009	19	5712	5715	
3HVV	19699750	Escherichia coli Thiol peroxidase (Tpx) peroxidatic cysteine to serine mutant (C61S)	2009-06-16	2009-10-20	Hall, A.,Sankaran, B.,Poole, L.B.,Karplus, P.A.	Structural changes common to catalysis in the Tpx peroxiredoxin subfamily.	J.Mol.Biol.	2009	393	867	881	
3HVX	19699750	Escherichia coli Thiol peroxidase (Tpx) resolving cysteine to serine mutant (C95S) with an intermolecular disulfide bond	2009-06-16	2009-10-20	Hall, A.,Sankaran, B.,Poole, L.B.,Karplus, P.A.	Structural changes common to catalysis in the Tpx peroxiredoxin subfamily.	J.Mol.Biol.	2009	393	867	881	
3HYF	19791799	Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor	2009-06-22	2009-10-20	Kirschberg, T.A.,Balakrishnan, M.,Squires, N.H.,Barnes, T.,Brendza, K.M.,Chen, X.,Eisenberg, E.J.,Jin, W.,Kutty, N.,Leavitt, S.,Liclican, A.,Liu, Q.,Liu, X.,Mak, J.,Perry, J.K.,Wang, M.,Watkins, W.J.,Lansdon, E.B.	RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information.	J.Med.Chem.	2009	52	5781	5784	
3IGB	19757823	Bace-1 with Compound 3	2009-07-27	2009-11-03	Malamas, M.S.,Erdei, J.,Gunawan, I.,Barnes, K.,Johnson, M.,Hui, Y.,Turner, J.,Hu, Y.,Wagner, E.,Fan, K.,Olland, A.,Bard, J.,Robichaud, A.J.	Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors	J.Med.Chem.	2009	52	6314	6323	
3H0E	19836248	3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3	2009-04-09	2009-11-17	Havran, L.M.,Chong, D.C.,Childers, W.E.,Dollings, P.J.,Dietrich, A.,Harrison, B.L.,Marathias, V.,Tawa, G.,Aulabaugh, A.,Cowling, R.,Kapoor, B.,Xu, W.,Mosyak, L.,Moy, F.,Hum, W.T.,Wood, A.,Robichaud, A.J.	3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3	Bioorg.Med.Chem.	2009	17	7755	7768	
3K48	19945466	Crystal structure of APRIL bound to a peptide	2009-10-05	2009-11-24	Gordon, N.C.,Lien, S.,Johnson, J.,Wallweber, H.J.,Tran, T.,Currell, B.,Mathieu, M.,Quan, C.,Starovasnik, M.A.,Hymowitz, S.G.,Kelley, R.F.	Multiple novel classes of APRIL-specific receptor-blocking peptides isolated by phage display.	J.Mol.Biol.	2010	396	166	177	
3KNU		Crystal structure of tRNA (guanine-N1)-methyltransferase from Anaplasma phagocytophilum	2009-11-12	2009-11-24	Edwards, T.E.,Abendroth, J.,Stahl, G.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of tRNA (guanine-N1)-methyltransferase from Anaplasma phagocytophilum	To be Published	0	0	0	0	
3FW3	20363633	Crystal Structure of soluble domain of CA4 in complex with Dorzolamide	2009-01-16	2009-12-01	Vernier, W.,Chong, W.,Rewolinski, D.,Greasley, S.,Pauly, T.,Shaw, M.,Dinh, D.,Ferre, R.A.,Nukui, S.,Ornelas, M.,Reyner, E.	Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.	Bioorg.Med.Chem.	2010	18	3307	3319	
3KRB	21904059	Structure of Aldose Reductase from Giardia Lamblia at 1.75A Resolution	2009-11-18	2009-12-01	Ferrell, M.,Abendroth, J.,Zhang, Y.,Sankaran, B.,Edwards, T.E.,Staker, B.L.,Van Voorhis, W.C.,Stewart, L.J.,Myler, P.J.	Structure of aldose reductase from Giardia lamblia.	Acta Crystallogr.,Sect.F	2011	67	1113	1117	
3K26	20974918	Complex structure of EED and trimethylated H3K4	2009-09-29	2009-12-15	Xu, C.,Bian, C.,Yang, W.,Galka, M.,Ouyang, H.,Chen, C.,Qiu, W.,Liu, H.,Jones, A.E.,Mackenzie, F.,Pan, P.,Li, S.S.,Wang, H.,Min, J.	Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).	Proc.Natl.Acad.Sci.USA	2010	107	19266	19271	
3K27	20974918	Complex structure of EED and trimethylated H3K9	2009-09-29	2009-12-15	Xu, C.,Bian, C.,Yang, W.,Galka, M.,Ouyang, H.,Chen, C.,Qiu, W.,Liu, H.,Jones, A.E.,Mackenzie, F.,Pan, P.,Li, S.S.,Wang, H.,Min, J.	Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).	Proc.Natl.Acad.Sci.USA	2010	107	19266	19271	
3FKL		P38 kinase crystal structure in complex with RO9552	2008-12-17	2009-12-22	Arora, N.,Williams, C.,Delano, W.,Will, D.,Kuglstatter, A.	Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity	To be Published	0	0	0	0	
3FL4		P38 kinase crystal structure in complex with RO5634	2008-12-18	2009-12-22	Arora, N.,Williams, C.,Delano, W.,Will, D.,Kuglstatter, A.	Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity	To be Published	0	0	0	0	
3FLI	19159286	Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)	2008-12-18	2009-12-22	Flatt, B.,Martin, R.,Wang, T.L.,Mahaney, P.,Murphy, B.,Gu, X.H.,Foster, P.,Li, J.,Pircher, P.,Petrowski, M.,Schulman, I.,Westin, S.,Wrobel, J.,Yan, G.,Bischoff, E.,Daige, C.,Mohan, R.	Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).	J.Med.Chem.	2009	52	904	907	
3FLY		P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one	2008-12-19	2009-12-22	Soth, M.,Kuglstatter, A.,Goldstein, D.	The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase	To be Published	0	0	0	0	
3FLZ		P38 kinase crystal structure in complex WITH 8-Methyl-6-phenoxy-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one	2008-12-19	2009-12-22	Soth, M.,Kuglstatter, A.,Goldstein, D.	The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase	To be Published	0	0	0	0	
3FMH		P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one	2008-12-22	2009-12-22	Soth, M.,Kuglstatter, A.,Goldstein, D.	The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase	To be Published	0	0	0	0	
3FMJ		P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine	2008-12-22	2009-12-22	Soth, M.,Kuglstatter, A.,Goldstein, D.	The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase	To be Published	0	0	0	0	
3FMK		P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one	2008-12-22	2009-12-22	Soth, M.,Kuglstatter, A.,Goldstein, D.	The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase	To be Published	0	0	0	0	
3FML		P38 kinase crystal structure in complex with RO6224	2008-12-22	2009-12-22	Soth, M.,Kuglstatter, A.,Gabriel, T.	P38 kinase crystal structure in complex with RO6224	To be Published	0	0	0	0	
3FMM		P38 kinase crystal structure in complex with RO6226	2008-12-22	2009-12-22	Soth, M.,Kuglstatter, A.,Gabriel, T.	P38 kinase crystal structure in complex with RO6226	To be Published	0	0	0	0	
3FMN		P38 kinase crystal structure in complex with RO2530	2008-12-22	2009-12-22	Soth, M.,Kuglstatter, A.,Gabriel, T.	P38 kinase crystal structure in complex with RO2530	To be Published	0	0	0	0	
3FSF		P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one	2009-01-09	2009-12-22	Soth, M.,Kuglstatter, A.,Goldstein, D.	The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase	To be Published	0	0	0	0	
3FSK		P38 kinase crystal structure in complex with RO6257	2009-01-09	2009-12-22	Arora, N.,Williams, C.,Delano, W.,Will, D.,Kuglstatter, A.	Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity	To be Published	0	0	0	0	
3KPE	19966279	Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV	2009-11-16	2009-12-22	Roymans, D.,De Bondt, H.L.,Arnoult, E.,Geluykens, P.,Gevers, T.,Van Ginderen, M.,Verheyen, N.,Kim, H.,Willebrords, R.,Bonfanti, J.F.,Bruinzeel, W.,Cummings, M.D.,van Vlijmen, H.,Andries, K.	Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.	Proc.Natl.Acad.Sci.USA	2010	107	308	313	
3KZX		Crystal structure of a Had-superfamily hydrolase from Ehrlichia chaffeensis at 1.9A resolution	2009-12-08	2009-12-22	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Edwards, T.E.,Sankaran, B.,Staker, B.	Crystal structure of a Had-superfamily hydrolase from Ehrlichia chaffeensis at 1.9A resolution	To be Published	0	0	0	0	
3L0G		Crystal structure of Nicotinate-nucleotide pyrophosphorylase from Ehrlichia chaffeensis at 2.05A resolution	2009-12-09	2009-12-22	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Arakaki, T.,Staker, B.	Crystal structure of Nicotinate-nucleotide pyrophosphorylase from Ehrlichia chaffeensis at 2.05A resolution	To be Published	0	0	0	0	
3L0D		Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Bartonella henselae with bound NAD	2009-12-09	2009-12-29	Edwards, T.E.,Abendroth, J.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Bartonella henselae with bound NAD	To be Published	0	0	0	0	
3FH8	19950900	Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.	2008-12-09	2010-01-05	Sandanayaka, V.,Mamat, B.,Mishra, R.K.,Winger, J.,Krohn, M.,Zhou, L.M.,Keyvan, M.,Enache, L.,Sullins, D.,Onua, E.,Zhang, J.,Halldorsdottir, G.,Sigthorsdottir, H.,Thorlaksdottir, A.,Sigthorsson, G.,Thorsteinnsdottir, M.,Davies, D.R.,Stewart, L.J.,Zembower, D.E.,Andresson, T.,Kiselyov, A.S.,Singh, J.,Gurney, M.E.	Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.	J.Med.Chem.	2010	53	573	585	
3FHE	19950900	Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.	2008-12-09	2010-01-05	Sandanayaka, V.,Mamat, B.,Mishra, R.K.,Winger, J.,Krohn, M.,Zhou, L.M.,Keyvan, M.,Enache, L.,Sullins, D.,Onua, E.,Zhang, J.,Halldorsdottir, G.,Sigthorsdottir, H.,Thorlaksdottir, A.,Sigthorsson, G.,Thorsteinnsdottir, M.,Davies, D.R.,Stewart, L.J.,Zembower, D.E.,Andresson, T.,Kiselyov, A.S.,Singh, J.,Gurney, M.E.	Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.	J.Med.Chem.	2010	53	573	585	
3IAD	20037581	Crystal structure of human phosphodiesterase 4D with bound allosteric modulator	2009-07-13	2010-01-05	Burgin, A.B.,Magnusson, O.T.,Singh, J.,Witte, P.,Staker, B.L.,Bjornsson, J.M.,Thorsteinsdottir, M.,Hrafnsdottir, S.,Hagen, T.,Kiselyov, A.S.,Stewart, L.J.,Gurney, M.E.	Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.	Nat.Biotechnol.	2010	28	63	70	
3G4G	20037581	Crystal structure of human phosphodiesterase 4d with regulatory domain and d155871	2009-02-03	2010-01-19	Burgin, A.B.,Magnusson, O.T.,Singh, J.,Witte, P.,Staker, B.L.,Bjornsson, J.M.,Thorsteinsdottir, M.,Hrafnsdottir, S.,Hagen, T.,Kiselyov, A.S.,Stewart, L.J.,Gurney, M.E.	Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.	Nat.Biotechnol.	2010	28	63	70	
3G4I	20037581	Crystal structure of human phosphodiesterase 4d with d155871	2009-02-03	2010-01-19	Burgin, A.B.,Magnusson, O.T.,Singh, J.,Witte, P.,Staker, B.L.,Bjornsson, J.M.,Thorsteinsdottir, M.,Hrafnsdottir, S.,Hagen, T.,Kiselyov, A.S.,Stewart, L.J.,Gurney, M.E.	Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.	Nat.Biotechnol.	2010	28	63	70	
3G4K	20037581	Crystal structure of human phosphodiesterase 4d with rolipram	2009-02-03	2010-01-19	Burgin, A.B.,Magnusson, O.T.,Singh, J.,Witte, P.,Staker, B.L.,Bjornsson, J.M.,Thorsteinsdottir, M.,Hrafnsdottir, S.,Hagen, T.,Kiselyov, A.S.,Stewart, L.J.,Gurney, M.E.	Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.	Nat.Biotechnol.	2010	28	63	70	
3G4L	20037581	Crystal structure of human phosphodiesterase 4d with roflumilast	2009-02-03	2010-01-19	Burgin, A.B.,Magnusson, O.T.,Singh, J.,Witte, P.,Staker, B.L.,Bjornsson, J.M.,Thorsteinsdottir, M.,Hrafnsdottir, S.,Hagen, T.,Kiselyov, A.S.,Stewart, L.J.,Gurney, M.E.	Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.	Nat.Biotechnol.	2010	28	63	70	
3G75	20356737	Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor	2009-02-09	2010-02-09	Ronkin, S.M.,Badia, M.,Bellon, S.,Grillot, A.L.,Gross, C.H.,Grossman, T.H.,Mani, N.,Parsons, J.D.,Stamos, D.,Trudeau, M.,Wei, Y.,Charifson, P.S.	Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.	Bioorg.Med.Chem.Lett.	2010	20	2828	2831	
3G7B	20356737	Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE inhibitor	2009-02-09	2010-02-09	Ronkin, S.M.,Badia, M.,Bellon, S.,Grillot, A.L.,Gross, C.H.,Grossman, T.H.,Mani, N.,Parsons, J.D.,Stamos, D.,Trudeau, M.,Wei, Y.,Charifson, P.S.	Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.	Bioorg.Med.Chem.Lett.	2010	20	2828	2831	
3LD9	21904055	Crystal structure of thymidylate kinase from Ehrlichia chaffeensis at 2.15A resolution	2010-01-12	2010-02-16	Leibly, D.J.,Abendroth, J.,Bryan, C.M.,Sankaran, B.,Kelley, A.,Barrett, L.K.,Stewart, L.,Van Voorhis, W.C.	Structure of thymidylate kinase from Ehrlichia chaffeensis.	Acta Crystallogr.,Sect.F	2011	67	1090	1094	
3LO0		Crystal structure of inorganic pyrophosphatase from Ehrlichia chaffeensis	2010-02-03	2010-02-16	Abendroth, J.,Sankaran, B.,Staker, B.	Crystal structure of inorganic pyrophosphatase from Ehrlichia chaffeensis	TO BE PUBLISHED	0	0	0	0	
3LAK	20137928	Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor	2010-01-06	2010-02-23	Mitchell, M.L.,Son, J.C.,Lee, I.Y.,Lee, C.K.,Kim, H.S.,Guo, H.,Wang, J.,Hayes, J.,Wang, M.,Paul, A.,Lansdon, E.B.,Chen, J.M.,Eisenberg, G.,Geleziunas, R.,Xu, L.,Kim, C.U.	N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.	Bioorg.Med.Chem.Lett.	2010	20	1585	1588	
3LP8		Crystal structure of phosphoribosylamine-glycine ligase from Ehrlichia chaffeensis	2010-02-04	2010-02-23	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Davies, D.,Staker, B.	Crystal structure of phosphoribosylamine-glycine ligase from Ehrlichia chaffeensis	To be Published	0	0	0	0	
3D6F		Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)	2008-05-19	2010-03-02	Rosen-Wolff, A.,Romanowski, M.J.,Ritter, L.,Flecks, S.,Quoos, N.,Gramatt, J.,Petzold, C.,Nguyen, H.D.,Gahr, M.,Roesler, J.	Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).	To be Published	0	0	0	0	
3D6M		Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)	2008-05-19	2010-03-02	Rosen-Wolff, A.,Romanowski, M.J.,Ritter, L.,Flecks, S.,Quoos, N.,Gramatt, J.,Petzold, C.,Nguyen, H.D.,Gahr, M.,Roesler, J.	Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).	To be Published	2008	0	0	0	
3GTA	20189383	Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic	2009-03-27	2010-03-09	Cohen, F.,Koehler, M.F.,Bergeron, P.,Elliott, L.O.,Flygare, J.A.,Franklin, M.C.,Gazzard, L.,Keteltas, S.F.,Lau, K.,Ly, C.Q.,Tsui, V.,Fairbrother, W.J.	Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.	Bioorg.Med.Chem.Lett.	2010	20	2229	2233	
3LQW		Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Entamoeba histolytica	2010-02-10	2010-03-09	Abendroth, J.,Sankaran, B.,Arakaki, T.,Staker, B.	Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Entamoeba histolytica	To be Published	0	0	0	0	
3KK2	20156454	HIV-1 reverse transcriptase-DNA complex with dATP bound in the nucleotide binding site	2009-11-04	2010-03-23	Lansdon, E.B.,Samuel, D.,Lagpacan, L.,Brendza, K.M.,White, K.L.,Hung, M.,Liu, X.,Boojamra, C.G.,Mackman, R.L.,Cihlar, T.,Ray, A.S.,McGrath, M.E.,Swaminathan, S.	Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.	J.Mol.Biol.	2010	397	967	978	
3MBD	21904050	Crystal structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi, bound to phosphate	2010-03-25	2010-04-14	Gardberg, A.,Sankaran, B.,Davies, D.,Bhandari, J.,Staker, B.,Stewart, L.	Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi.	Acta Crystallogr.,Sect.F	2011	67	1055	1059	
3I6C	20207139	Structure-Based Design of Novel PIN1 Inhibitors (II)	2009-07-06	2010-04-21	Dong, L.,Marakovits, J.,Hou, X.,Guo, C.,Greasley, S.,Dagostino, E.,Ferre, R.,Johnson, M.C.,Kraynov, E.,Thomson, J.,Pathak, V.,Murray, B.W.	Structure-based design of novel human Pin1 inhibitors (II).	Bioorg.Med.Chem.Lett.	2010	20	2210	2214	
3LDY	20541511	An extraordinary mechanism of DNA perturbation exhibited by the rare-cutting HNH restriction endonuclease PacI	2010-01-13	2010-04-21	Shen, B.W.,Heiter, D.F.,Chan, S.H.,Wang, H.,Xu, S.Y.,Morgan, R.D.,Wilson, G.G.,Stoddard, B.L.	Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI.	Structure	2010	18	734	743	
3LHG	20202842	Bace1 in complex with the aminohydantoin Compound 4g	2010-01-22	2010-04-21	Zhou, P.,Li, Y.,Fan, Y.,Wang, Z.,Chopra, R.,Olland, A.,Hu, Y.,Magolda, R.L.,Pangalos, M.,Reinhart, P.H.,Turner, M.J.,Bard, J.,Malamas, M.S.,Robichaud, A.J.	Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.	Bioorg.Med.Chem.Lett.	2010	20	2326	2329	
3MBQ		Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Brucella melitensis, orthorhombic crystal form	2010-03-25	2010-04-21	Abendroth, J.,Sankaran, T.,Gardberg, A.,Staker, B.	Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Brucella melitensis, orthorhombic crystal form	To be Published	0	0	0	0	
3MD7	21904058	Crystal structure of a beta-lactamase-like protein bound to GMP from brucella melitensis	2010-03-30	2010-04-21	Abendroth, J.,Sankaran, B.,Edwards, T.E.,Gardberg, A.S.,Dieterich, S.,Bhandari, J.,Napuli, A.J.,Van Voorhis, W.C.,Staker, B.L.,Myler, P.J.,Stewart, L.J.	BrabA.11339.a: anomalous diffraction and ligand binding guide towards the elucidation of the function of a `putative beta-lactamase-like protein from Brucella melitensis.	Acta Crystallogr.,Sect.F	2011	67	1106	1112	
3L38	20223661	Bace1 in complex with the aminopyridine Compound 44	2009-12-16	2010-04-28	Malamas, M.S.,Barnes, K.,Hui, Y.,Johnson, M.,Lovering, F.,Condon, J.,Fobare, W.,Solvibile, W.,Turner, J.,Hu, Y.,Manas, E.S.,Fan, K.,Olland, A.,Chopra, R.,Bard, J.,Pangalos, M.N.,Reinhart, P.,Robichaud, A.J.	Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.	Bioorg.Med.Chem.Lett.	2010	20	2068	2073	
3L3A	20223661	Bace-1 with the aminopyridine Compound 32	2009-12-16	2010-04-28	Malamas, M.S.,Barnes, K.,Hui, Y.,Johnson, M.,Lovering, F.,Condon, J.,Fobare, W.,Solvibile, W.,Turner, J.,Hu, Y.,Manas, E.S.,Fan, K.,Olland, A.,Chopra, R.,Bard, J.,Pangalos, M.N.,Reinhart, P.,Robichaud, A.J.	Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.	Bioorg.Med.Chem.Lett.	2010	20	2068	2073	
3MEQ		Crystal structure of alcohol dehydrogenase from Brucella melitensis	2010-03-31	2010-04-28	Arakaki, T.L.,Gardberg, A.,Staker, B.L.,Sankaran, B.	Crystal structure of alcohol dehydrogenase from Brucella melitensis	To be Published	0	0	0	0	
3FW4	20581821	Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol	2009-01-16	2010-05-05	Bao, G.,Clifton, M.,Hoette, T.M.,Mori, K.,Deng, S.X.,Qiu, A.,Viltard, M.,Williams, D.,Paragas, N.,Leete, T.,Kulkarni, R.,Li, X.,Lee, B.,Kalandadze, A.,Ratner, A.J.,Pizarro, J.C.,Schmidt-Ott, K.M.,Landry, D.W.,Raymond, K.N.,Strong, R.K.,Barasch, J.	Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.	Nat.Chem.Biol.	2010	6	602	609	
3FW5	20581821	Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol	2009-01-16	2010-05-05	Bao, G.,Clifton, M.,Hoette, T.M.,Mori, K.,Deng, S.X.,Qiu, A.,Viltard, M.,Williams, D.,Paragas, N.,Leete, T.,Kulkarni, R.,Li, X.,Lee, B.,Kalandadze, A.,Ratner, A.J.,Pizarro, J.C.,Schmidt-Ott, K.M.,Landry, D.W.,Raymond, K.N.,Strong, R.K.,Barasch, J.	Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.	Nat.Chem.Biol.	2010	6	602	609	
3L9K		Insights into dynein assembly from a dynein intermediate chain-light chain roadblock structure	2010-01-05	2010-05-12	Hall, J.,Karplus, P.A.,Barbar, E.	Insights into dynein assembly from a dynein intermediate chain-light chain roadblock structure	To be Published	0	0	0	0	
3MEC	20438081	HIV-1 Reverse Transcriptase in Complex with TMC125	2010-03-31	2010-05-12	Lansdon, E.B.,Brendza, K.M.,Hung, M.,Wang, R.,Mukund, S.,Jin, D.,Birkus, G.,Kutty, N.,Liu, X.	Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.	J.Med.Chem.	2010	53	4295	4299	
3MEE	20438081	HIV-1 Reverse Transcriptase in Complex with TMC278	2010-03-31	2010-05-12	Lansdon, E.B.,Brendza, K.M.,Hung, M.,Wang, R.,Mukund, S.,Jin, D.,Birkus, G.,Kutty, N.,Liu, X.	Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.	J.Med.Chem.	2010	53	4295	4299	
3MEG	20438081	HIV-1 K103N Reverse Transcriptase in Complex with TMC278	2010-03-31	2010-05-12	Lansdon, E.B.,Brendza, K.M.,Hung, M.,Wang, R.,Mukund, S.,Jin, D.,Birkus, G.,Kutty, N.,Liu, X.	Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.	J.Med.Chem.	2010	53	4295	4299	
2X4Z	20439741	Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309	2010-02-03	2010-05-19	Murray, B.,Guo, C.,Piraino, J.,Westwick, J.,Zhang, C.,Lamerdin, J.,Dagostino, E.,Knighton, D.R.,Loi, C.-M.,Zager, M.,Kraynov, E.,Popoff, I.,Christensen, J.,Martinez, R.,Kephart, S.,Marakovits, J.,Karlicek, S.,Bergqvist, S.,Smeal, T.	Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth.	Proc.Natl.Acad.Sci.USA	2010	107	9446	0	
3MMT	21904049	Crystal structure of fructose bisphosphate aldolase from Bartonella henselae, bound to fructose bisphosphate	2010-04-20	2010-05-19	Gardberg, A.,Abendroth, J.,Bhandari, J.,Sankaran, B.,Staker, B.	Structure of fructose bisphosphate aldolase from Bartonella henselae bound to fructose 1,6-bisphosphate.	Acta Crystallogr.,Sect.F	2011	67	1051	1054	
3MR1	28089350	Crystal structure of methionine aminopeptidase from Rickettsia prowazekii	2010-04-28	2010-05-26	Helgren, T.R.,Chen, C.,Wangtrakuldee, P.,Edwards, T.E.,Staker, B.L.,Abendroth, J.,Sankaran, B.,Housley, N.A.,Myler, P.J.,Audia, J.P.,Horn, J.R.,Hagen, T.J.	Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.	Bioorg.Med.Chem.	2017	25	813	824	
3MX6	28089350	Crystal structure of methionine aminopeptidase from Rickettsia prowazekii bound to methionine	2010-05-06	2010-05-26	Helgren, T.R.,Chen, C.,Wangtrakuldee, P.,Edwards, T.E.,Staker, B.L.,Abendroth, J.,Sankaran, B.,Housley, N.A.,Myler, P.J.,Audia, J.P.,Horn, J.R.,Hagen, T.J.	Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.	Bioorg.Med.Chem.	2017	25	813	824	
3MXV	20504762	Crystal structure of fab fragment of anti-Shh 5E1 chimera	2010-05-07	2010-05-26	Maun, H.R.,Wen, X.,Lingel, A.,de Sauvage, F.J.,Lazarus, R.A.,Scales, S.J.,Hymowitz, S.G.	Hedgehog pathway antagonist 5E1 binds hedgehog at the pseudo-active site.	J.Biol.Chem.	2010	285	26570	26580	
3MXW	20504762	Crystal structure Sonic hedgehog bound to the 5E1 fab fragment	2010-05-07	2010-05-26	Maun, H.R.,Wen, X.,Lingel, A.,de Sauvage, F.J.,Lazarus, R.A.,Scales, S.J.,Hymowitz, S.G.	Hedgehog pathway antagonist 5E1 binds hedgehog at the pseudo-active site.	J.Biol.Chem.	2010	285	26570	26580	
3HWD		Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric Enterobactin	2009-06-17	2010-06-02	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be Published	0	0	0	0	
3HWE		Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam	2009-06-17	2010-06-02	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be Published	0	0	0	0	
3HWF		Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo	2009-06-17	2010-06-02	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be Published	0	0	0	0	
3HWG		Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2	2009-06-17	2010-06-02	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be Published	0	0	0	0	
3N58		Crystal structure of S-ADENOSYL-L-HOMOCYSTEINE hydrolase from brucella melitensis in ternary complex with NAD and adenosine, orthorhombic form	2010-05-24	2010-06-02	SSGCID,Gardberg, A.,Sankaran, B.,Abendroth, J.,Staker, B.	Crystal structure of S-adenosyl-L-homocysteine hydrolase from brucella  melitensis in ternary complex with NAD and adenosine, orthorhombic form	To be Published	0	0	0	0	
3I0A		Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin	2009-06-24	2010-06-09	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be Published	0	0	0	0	
3MQD	31237717	Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol	2010-04-28	2010-06-09	Patterson, E.I.,Nanson, J.D.,Abendroth, J.,Bryan, C.,Sankaran, B.,Myler, P.J.,Forwood, J.K.	Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.	Proteins	2020	88	47	56	
3MYB	25613812	Crystal structure of enoyl-coa hydratase mycobacterium smegmatis	2010-05-10	2010-06-09	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3LT0	20503440	Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1	2010-02-14	2010-06-16	Maity, K.,Bhargav, S.P.,Sankaran, B.,Surolia, N.,Surolia, A.,Suguna, K.	X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition	Iubmb Life	2010	62	467	476	
3LT1	20503440	Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T2	2010-02-14	2010-06-16	Maity, K.,Bhargav, S.P.,Sankaran, B.,Surolia, N.,Surolia, A.,Suguna, K.	X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition	Iubmb Life	2010	62	467	476	
3N7T		Crystal structure of a macrophage binding protein from Coccidioides immitis	2010-05-27	2010-06-16	Edwards, T.E.,Abendroth, J.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of a macrophage binding protein from Coccidioides immitis	TO BE PUBLISHED	0	0	0	0	
3NG3	25613812	Crystal structure of deoxyribose phosphate aldolase from mycobacterium avium 104 in a schiff base with an unknown aldehyde	2010-06-10	2010-06-23	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3NRR	21904052	Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP	2010-06-30	2010-07-14	Begley, D.W.,Edwards, T.E.,Raymond, A.C.,Smith, E.R.,Hartley, R.C.,Abendroth, J.,Sankaran, B.,Lorimer, D.D.,Myler, P.J.,Staker, B.L.,Stewart, L.J.	Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.	Acta Crystallogr.,Sect.F	2011	67	1070	1077	
3MGE	20600115	X-ray Structure of Hexameric HIV-1 CA	2010-04-05	2010-07-21	Pornillos, O.,Ganser-Pornillos, B.K.,Banumathi, S.,Hua, Y.,Yeager, M.	Disulfide Bond Stabilization of the Hexameric Capsomer of Human Immunodeficiency Virus.	J.Mol.Biol.	2010	401	985	995	
3MF5	20584604	Hepatitis C virus polymerase NS5B (BK) with amide bioisostere thumb site inhibitor	2010-04-01	2010-07-28	Yang, H.,Hendricks, R.T.,Arora, N.,Nitzan, D.,Yee, C.,Lucas, M.C.,Yang, Y.,Fung, A.,Rajyaguru, S.,Harris, S.F.,Leveque, V.J.,Hang, J.Q.,Pogam, S.L.,Reuter, D.,Tavares, G.A.	Cyclic amide bioisosterism: Strategic application to the design and synthesis of HCV NS5B polymerase inhibitors.	Bioorg.Med.Chem.Lett.	2010	20	4614	4619	
3N85	20654626	Crystallographic trimer of HER2 extracellular regions in complex with tryptophan-rich antibody fragment	2010-05-27	2010-07-28	Fisher, R.D.,Ultsch, M.,Lingel, A.,Schaefer, G.,Shao, L.,Birtalan, S.,Sidhu, S.S.,Eigenbrot, C.	Structure of the complex between HER2 and an antibody paratope formed by side chains from tryptophan and serine.	J.Mol.Biol.	2010	402	217	229	
3MNG	20643143	wild type human PrxV with DTT bound as a competitive inhibitor	2010-04-21	2010-08-04	Hall, A.,Parsonage, D.,Poole, L.B.,Karplus, P.A.	Structural Evidence that Peroxiredoxin Catalytic Power Is Based on Transition-State Stabilization.	J.Mol.Biol.	2010	402	194	209	
3N5U	20694007	Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1	2010-05-25	2010-08-11	Hirschi, A.,Cecchini, M.,Steinhardt, R.C.,Schamber, M.R.,Dick, F.A.,Rubin, S.M.	An overlapping kinase and phosphatase docking site regulates activity of the retinoblastoma protein.	Nat.Struct.Mol.Biol.	2010	17	1051	1057	
3O38	25613812	Crystal structure of a short chain dehydrogenase from Mycobacterium smegmatis	2010-07-23	2010-08-11	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3K3L		Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin	2009-10-02	2010-08-18	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be Published	0	0	0	0	
2WKM	21812414	X-ray Structure of PHA-00665752 bound to the kinase domain of c-Met	2009-06-15	2010-08-25	Cui, J.J.,Tran-Dube, M.,Shen, H.,Nambu, M.,Kung, P.P.,Pairish, M.,Jia, L.,Meng, J.,Funk, L.,Botrous, I.,Mctigue, M.,Grodsky, N.,Ryan, K.,Padrique, E.,Alton, G.,Timofeevski, S.,Yamazaki, S.,Li, Q.,Zou, H.,Christensen, J.,Mroczkowski, B.,Bender, S.,Kania, R.S.,Edwards, M.P.	Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).	J.Med.Chem	2011	54	6342	0	
3MX1	20800503	The structure of GIY-YIG endonuclease R.Eco29kI	2010-05-06	2010-09-08	Mak, A.N.,Lambert, A.R.,Stoddard, B.L.	Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI.	Structure	2010	18	1321	1331	
3NIC	20800503	DNA binding and cleavage by the GIY-YIG endonuclease R.Eco29kI inactive variant Y49F	2010-06-15	2010-09-08	Mak, A.N.,Lambert, A.R.,Stoddard, B.L.	Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI.	Structure	2010	18	1321	1331	
3OCA		Crystal structure of peptide deformylase from Ehrlichia chaffeensis	2010-08-09	2010-09-08	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Edwards, T.E.,Staker, B.	Crystal structure of peptide deformylase from Ehrlichia chaffeensis	To be Published	0	0	0	0	
3P2Y	25613812	Crystal structure of alanine dehydrogenase/pyridine nucleotide transhydrogenase from Mycobacterium smegmatis	2010-10-04	2010-10-13	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3NH4	20921362	Crystal structure of murine aminoacylase 3	2010-06-14	2010-10-20	Hsieh, J.M.,Tsirulnikov, K.,Sawaya, M.R.,Magilnick, N.,Abuladze, N.,Kurtz, I.,Abramson, J.,Pushkin, A.	Structures of aminoacylase 3 in complex with acetylated substrates.	Proc.Natl.Acad.Sci.USA	2010	107	17962	17967	
3NYX	21117080	Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor	2010-07-15	2010-10-20	Tsui, V.,Gibbons, P.,Ultsch, M.,Mortara, K.,Chang, C.,Blair, W.,Pulk, R.,Stanley, M.,Starovasnik, M.,Williams, D.,Lamers, M.,Leonard, P.,Magnuson, S.,Liang, J.,Eigenbrot, C.	A new regulatory switch in a JAK protein kinase.	Proteins	2011	79	393	401	
3OKS	25613812	Crystal structure of 4-aminobutyrate transaminase from mycobacterium smegmatis	2010-08-25	2010-10-27	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3KBF		C. elegans Cu,Zn Superoxide Dismutase	2009-10-20	2010-11-03	Pakhomova, O.N.,Taylor, A.B.,Schuermann, J.P.,Culotta, V.L.,Hart, P.J.	X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase	To be Published	0	0	0	0	
3P32	25832174	Hydrolysis of GTP to GDP by an MCM-associated and MeaB- and MMAA-like G-protein from Mycobacterium tuberculosis	2010-10-04	2010-11-10	Edwards, T.E.,Baugh, L.,Bullen, J.,Baydo, R.O.,Witte, P.,Thompkins, K.,Phan, I.Q.,Abendroth, J.,Clifton, M.C.,Sankaran, B.,Van Voorhis, W.C.,Myler, P.J.,Staker, B.L.,Grundner, C.,Lorimer, D.D.	Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.	J.Struct.Funct.Genom.	2015	16	91	99	
3P96	21359836	Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium, native form	2010-10-15	2010-11-10	Abendroth, J.,Gardberg, A.S.,Robinson, J.I.,Christensen, J.S.,Staker, B.L.,Myler, P.J.,Stewart, L.J.,Edwards, T.E.	SAD phasing using iodide ions in a high-throughput structural genomics environment.	J.Struct.Funct.Genom.	2011	12	83	95	
3OJ4	21095585	Crystal structure of the A20 ZnF4, ubiquitin and UbcH5A complex	2010-08-20	2010-12-08	Bosanac, I.,Wertz, I.E.,Pan, B.,Yu, C.,Kusam, S.,Lam, C.,Phu, L.,Phung, Q.,Maurer, B.,Arnott, D.,Kirkpatrick, D.S.,Dixit, V.M.,Hymowitz, S.G.	Ubiquitin Binding to A20 ZnF4 Is Required for Modulation of NF-κB Signaling	Mol.Cell	2010	40	548	557	
3NZS	20822905	Structure-based Optimization of Pyrazolo -Pyrimidine and -Pyridine Inhibitors of PI3-Kinase	2010-07-16	2010-12-29	Staben, S.T.,Heffron, T.P.,Sutherlin, D.P.,Bhat, S.R.,Castanedo, G.M.,Chuckowree, I.S.,Dotson, J.,Folkes, A.J.,Friedman, L.S.,Lee, L.,Lesnick, J.,Lewis, C.,Murray, J.M.,Nonomiya, J.,Olivero, A.G.,Plise, E.,Pang, J.,Prior, W.W.,Salphati, L.,Rouge, L.,Sampath, D.,Tsui, V.,Wan, N.C.,Wang, S.,Wiesmann, C.,Wu, P.,Zhu, B.Y.	Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.	Bioorg.Med.Chem.Lett.	2010	20	6048	6051	
3NZS	20822905	Structure-based Optimization of Pyrazolo -Pyrimidine and -Pyridine Inhibitors of PI3-Kinase	2010-07-16	2010-12-29	Staben, S.T.,Heffron, T.P.,Sutherlin, D.P.,Bhat, S.R.,Castanedo, G.M.,Chuckowree, I.S.,Dotson, J.,Folkes, A.J.,Friedman, L.S.,Lee, L.,Lesnick, J.,Lewis, C.,Murray, J.M.,Nonomiya, J.,Olivero, A.G.,Plise, E.,Pang, J.,Prior, W.W.,Salphati, L.,Rouge, L.,Sampath, D.,Tsui, V.,Wan, N.C.,Wang, S.,Wiesmann, C.,Wu, P.,Zhu, B.Y.	Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.	Bioorg.Med.Chem.Lett.	2010	20	6048	6051	
3NZU	20822905	Structure-based Optimization of Pyrazolo -Pyrimidine and -Pyridine Inhibitors of PI3-Kinase	2010-07-16	2010-12-29	Staben, S.T.,Heffron, T.P.,Sutherlin, D.P.,Bhat, S.R.,Castanedo, G.M.,Chuckowree, I.S.,Dotson, J.,Folkes, A.J.,Friedman, L.S.,Lee, L.,Lesnick, J.,Lewis, C.,Murray, J.M.,Nonomiya, J.,Olivero, A.G.,Plise, E.,Pang, J.,Prior, W.W.,Salphati, L.,Rouge, L.,Sampath, D.,Tsui, V.,Wan, N.C.,Wang, S.,Wiesmann, C.,Wu, P.,Zhu, B.Y.	Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.	Bioorg.Med.Chem.Lett.	2010	20	6048	6051	
3PXX	28120876	Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to nicotinamide adenine dinucleotide	2010-12-10	2010-12-29	Haft, D.H.,Pierce, P.G.,Mayclin, S.J.,Sullivan, A.,Gardberg, A.S.,Abendroth, J.,Begley, D.W.,Phan, I.Q.,Staker, B.L.,Myler, P.J.,Marathias, V.M.,Lorimer, D.D.,Edwards, T.E.	Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.	Sci Rep	2017	7	41074	41074	
3OMW	21204787	Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II	2010-08-27	2011-01-19	Zhang, Y.,Zhang, M.,Zhang, Y.	Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II, in complex with a transition state analogue.	Biochem.J.	2011	434	435	444	
3OMX	21204787	Crystal structure of Ssu72 with vanadate complex	2010-08-27	2011-01-19	Zhang, Y.,Zhang, M.,Zhang, Y.	Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II, in complex with a transition state analogue.	Biochem.J.	2011	434	435	444	
3Q1T	25613812	Crystal structure of enoyl-coA hydratase from Mycobacterium avium	2010-12-17	2011-01-19	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3Q6L		Crystal Structure of Human Adipocyte Fatty Acid Binding Protein (FABP4) at 1.4 Ang. Resolution	2011-01-02	2011-01-26	Prasad, G.S.,Carney, D.,Small, V.,Sankaran, B.,Zwart, P.H.	Crystal Structure of Human Adipocyte Fatty Acid Binding Protein (FABP4) at 1.4 Ang. Resolution	To be Published	0	0	0	0	
3QAT		Crystal structure of acyl-carrier-protein-S-malonyltransferase from Bartonella henselae	2011-01-11	2011-01-26	Edwards, T.E.,Clifton, M.C.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of acyl-carrier-protein-S-malonyltransferase from Bartonella henselae	To be Published	0	0	0	0	
3QBP	25613812	Crystal structure of fumarase Fum from Mycobacterium marinum	2011-01-13	2011-01-26	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3PRE	21269826	Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.	2010-11-29	2011-02-09	Liu, K.K.,Huang, X.,Bagrodia, S.,Chen, J.H.,Greasley, S.,Cheng, H.,Sun, S.,Knighton, D.,Rodgers, C.,Rafidi, K.,Zou, A.,Xiao, J.,Yan, S.	Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.	Bioorg.Med.Chem.Lett.	2011	21	1270	1274	
3QHA	25613812	Crystal structure of a Putative oxidoreductase from Mycobacterium avium 104	2011-01-25	2011-02-09	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QK8	25613812	Crystal structure of enoyl-coA hydratase EchA15 from Mycobacterium marinum in complex with an unknown ligand	2011-01-31	2011-02-09	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QIV	25613812	Crystal structure of a putative short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier-protein] reductase from Mycobacterium paratuberculosis ATCC BAA-968 / K-10	2011-01-27	2011-02-16	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QLJ	25613812	Crystal structure of a short chain dehydrogenase from Mycobacterium avium	2011-02-02	2011-02-16	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QUA	25613812	Crystal structure of a putative uncharacterized protein and possible Molybdenum cofactor protein from Mycobacterium smegmatis	2011-02-23	2011-03-09	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QUV	25613812	Crystal structure of a tRNA-guanine-N1-methyltransferase from Mycobacterium abscessus	2011-02-24	2011-03-16	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QXI	25613812	Crystal structure of enoyl-CoA hydratase EchA1 from Mycobacterium marinum	2011-03-01	2011-03-16	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QXZ	25613812	Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus	2011-03-02	2011-03-16	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QYR	25613812	Crystal structure of enoyl-coA hydratase EchA16_2 Mycobacterium paratuberculosis ATCC BAA-968 / K-10	2011-03-03	2011-03-16	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QRH		Crystal structure of fructose bisphosphate aldolase from Encephalitozoon Cuniculi, bound to glyceraldehyde 3-phosphate	2011-02-17	2011-03-23	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Gardberg, A.,Arakaki, T.,Staker, B.	Crystal structure of fructose bisphosphate aldolase from Encephalitozoon Cuniculi, bound to glyceraldehyde 3-phosphate	TO BE PUBLISHED	0	0	0	0	
3R2N	25613812	Crystal structure of cytidine deaminase from Mycobacterium leprae	2011-03-14	2011-03-23	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QAR	21376583	Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32	2011-01-11	2011-03-30	Peterson, E.A.,Andrews, P.S.,Be, X.,Boezio, A.A.,Bush, T.L.,Cheng, A.C.,Coats, J.R.,Colletti, A.E.,Copeland, K.W.,Dupont, M.,Graceffa, R.,Grubinska, B.,Harmange, J.C.,Kim, J.L.,Mullady, E.L.,Olivieri, P.,Schenkel, L.B.,Stanton, M.K.,Teffera, Y.,Whittington, D.A.,Cai, T.,La, D.S.	Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.	Bioorg.Med.Chem.Lett.	2011	21	2064	2070	
3R2V	21904043	Crystal structure of polymerase basic protein 2 E538-R753 from Influenza A virus A/Yokohama/2017/03 H3N2	2011-03-14	2011-03-30	Smith, E.R.,Begley, D.W.,Anderson, V.,Raymond, A.C.,Haffner, T.E.,Robinson, J.I.,Edwards, T.E.,Duncan, N.,Gerdts, C.J.,Mixon, M.B.,Nollert, P.,Staker, B.L.,Stewart, L.J.	The Protein Maker: an automated system for high-throughput parallel purification.	Acta Crystallogr.,Sect.F	2011	67	1015	1021	
3R4T	25613812	Crystal structure of 4-aminobutyrate aminotransferase GabT from Mycobacterium marinum covalently bound to pyridoxal phosphate	2011-03-17	2011-03-30	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QJ5	24900320	S-nitrosoglutathione reductase (GSNOR) in complex with N6022	2011-01-28	2011-04-06	Sun, X.,Wasley, J.W.,Qiu, J.,Blonder, J.P.,Stout, A.M.,Green, L.S.,Strong, S.A.,Colagiovanni, D.B.,Richards, J.P.,Mutka, S.C.,Chun, L.,Rosenthal, G.J.	Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.	ACS Med Chem Lett	2011	2	402	406	
3R20	25613812	Crystal structure of cytidylate kinase from Mycobacterium smegmatis	2011-03-11	2011-04-13	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3R9Q	25613812	Structure of a probable enoyl-coa hydratase/isomerase from Mycobacterium abscessus ATCC 19977 / DSM 44196	2011-03-25	2011-04-13	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3R9S	25613812	Structure of a carnitinyl-CoA dehydratase from Mycobacterium avium 104	2011-03-25	2011-04-13	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3R9T	25613812	Structure of EchA1_1 from Mycobacterium paratuberculosis ATCC BAA-968 / K-10	2011-03-25	2011-04-13	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QIO	21464257	Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor	2011-01-27	2011-04-20	Lansdon, E.B.,Liu, Q.,Leavitt, S.A.,Balakrishnan, M.,Perry, J.K.,Lancaster-Moyer, C.,Kutty, N.,Liu, X.,Squires, N.H.,Watkins, W.J.,Kirschberg, T.A.	Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.	Antimicrob.Agents Chemother.	2011	55	2905	2915	
3R9L		Crystal structure of nucleoside diphosphate kinase from Giardia lamblia featuring a disordered dinucleotide binding site	2011-03-25	2011-04-20	Edwards, T.E.,Gardberg, A.S.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of nucleoside diphosphate kinase from Giardia lamblia featuring a disordered dinucleotide binding site	To be Published	0	0	0	0	
3R9R	25613812	Structure of a Phosphoribosylaminoimidazole-succinocarboxamide synthase from Mycobacterium abscessus ATCC 19977 / DSM 44196	2011-03-25	2011-04-20	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3R9P	25613812	Crystal structure of AckA from Mycobacterium paratuberculosis ATCC BAA-968 / K-10	2011-03-25	2011-05-04	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3RFQ	25613812	Crystal structure of Pterin-4-alpha-carbinolamine dehydratase MoaB2 from Mycobacterium marinum	2011-04-06	2011-05-04	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3OCP	21526164	Crystal structure of cAMP bound cGMP-dependent protein kinase(92-227)	2010-08-10	2011-05-11	Kim, J.J.,Casteel, D.E.,Huang, G.,Kwon, T.H.,Ren, R.K.,Zwart, P.,Headd, J.J.,Brown, N.G.,Chow, D.C.,Palzkill, T.,Kim, C.	Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding	Plos One	2011	6	0	0	
3R00	21507633	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors	2011-03-07	2011-05-11	Xiang, Y.,Hirth, B.,Asmussen, G.,Biemann, H.P.,Bishop, K.A.,Good, A.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Liu, J.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.	Bioorg.Med.Chem.Lett.	2011	21	3050	3056	
3R01	21507633	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors	2011-03-07	2011-05-11	Xiang, Y.,Hirth, B.,Asmussen, G.,Biemann, H.P.,Bishop, K.A.,Good, A.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Liu, J.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.	Bioorg.Med.Chem.Lett.	2011	21	3050	3056	
3R02	21507633	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors	2011-03-07	2011-05-11	Xiang, Y.,Hirth, B.,Asmussen, G.,Biemann, H.P.,Bishop, K.A.,Good, A.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Liu, J.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.	Bioorg.Med.Chem.Lett.	2011	21	3050	3056	
3R04	21507633	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors	2011-03-07	2011-05-11	Xiang, Y.,Hirth, B.,Asmussen, G.,Biemann, H.P.,Bishop, K.A.,Good, A.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Liu, J.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.	Bioorg.Med.Chem.Lett.	2011	21	3050	3056	
3RQI		Crystal structure of a response regulator protein from Burkholderia pseudomallei with a phosphorylated aspartic acid, calcium ion and citrate	2011-04-28	2011-05-11	Edwards, T.E.,Davies, D.R.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of a response regulator protein from Burkholderia pseudomallei with a phosphorylated aspartic acid, calcium ion and citrate	To be Published	0	0	0	0	
3RRP	25613812	Crystal structure of fumarate hydratase Fum from Mycobacterium abscessus with malate bound	2011-04-29	2011-05-11	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3RV2	25613812	Crystal structure of S-adenosylmethionine synthetase from Mycobacterium marinum	2011-05-05	2011-05-18	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QHB	21596985	Crystal structure of oxidized Symerythrin from Cyanophora paradoxa	2011-01-25	2011-05-25	Cooley, R.B.,Rhoads, T.W.,Arp, D.J.,Karplus, P.A.	A diiron protein autogenerates a valine-phenylalanine cross-link.	Science	2011	332	929	929	
3S4K		Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis	2011-05-19	2011-06-01	Clifton, M.C.,Edwards, T.E.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis	To be Published	0	0	0	0	
3S82	25613812	Structure of a S-adenosylmethionine synthetase from Mycobacterium avium	2011-05-27	2011-06-08	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3SBX	25613812	Crystal structure of a putative uncharacterized protein from Mycobacterium marinum bound to adenosine 5'-monophosphate AMP	2011-06-06	2011-06-15	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3SDO		Structure of a Nitrilotriacetate monooxygenase from Burkholderia pseudomallei	2011-06-09	2011-06-22	Clifton, M.C.,Edwards, T.E.,Seattle Structural Genomics Center for Infectious Disease,Sankaran, B.	Structure of a Nitrilotriacetate monooxygenase from Burkholderia pseudomallei	To be Published	0	0	0	0	
3QY2	21704044	Crystal structure of the P93A monomer mutant of S. cerevisiae Cks1	2011-03-02	2011-06-29	Balog, E.R.,Saetern, O.C.,Finch, W.,Hoeft, C.O.,Thai, V.,Harvey, S.L.,Kellogg, D.R.,Rubin, S.M.	The structure of a monomeric mutant cks protein reveals multiple functions for a conserved hinge-region proline.	J.Mol.Biol.	2011	411	520	528	
3SC4		Crystal structure of a Short chain dehydrogenase (A0QTM2 homolog) Mycobacterium thermoresistibile	2011-06-06	2011-06-29	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Gardberg, A.,Clifton, M.C.,Staker, B.,Stewart, L.	Crystal structure of a Short chain dehydrogenase (A0QTM2 homolog) Mycobacterium thermoresistibile	To be Published	0	0	0	0	
3SF6	25613812	Crystal structure of Glutaryl-CoA dehydrogenase from Mycobacterium smegmatis	2011-06-12	2011-06-29	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3SI9	26750477	Crystal structure of Dihydrodipicolinate Synthase from Bartonella Henselae	2011-06-17	2011-06-29	Naqvi, K.F.,Staker, B.L.,Dobson, R.C.,Serbzhinskiy, D.,Sankaran, B.,Myler, P.J.,Hudson, A.O.	Cloning, expression, purification, crystallization and X-ray diffraction analysis of dihydrodipicolinate synthase from the human pathogenic bacterium Bartonella henselae strain Houston-1 at 2.1 angstrom resolution.	Acta Crystallogr F Struct Biol	2016	72	2	9	
3SLG		Crystal structure of PbgP3 protein from Burkholderia pseudomallei	2011-06-24	2011-07-06	Edwards, T.E.,Abendroth, J.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of PbgP3 protein from Burkholderia pseudomallei	To be Published	0	0	0	0	
3SLL	25613812	Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus	2011-06-24	2011-07-06	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3S1S	21724614	Characterization and crystal structure of the type IIG restriction endonuclease BpuSI	2011-05-16	2011-07-13	Shen, B.W.,Xu, D.,Chan, S.H.,Zheng, Y.,Zhu, Z.,Xu, S.Y.,Stoddard, B.L.	Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI.	Nucleic Acids Res.	2011	39	8223	8236	
3SEJ	21715503	Structural characterization of a GII.4 2004 norovirus variant (TCH05) bound to Secretor Lewis HBGA (LeB)	2011-06-10	2011-07-13	Shanker, S.,Choi, J.M.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution.	J.Virol.	2011	85	8635	8645	
3SLD	21715503	Structural characterization of a GII.4 2004 norovirus variant (TCH05) bound to A trisaccharide	2011-06-24	2011-07-13	Shanker, S.,Choi, J.M.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution.	J.Virol.	2011	85	8635	8645	
3QHY	21775426	Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases	2011-01-26	2011-07-20	Brown, N.G.,Chow, D.C.,Sankaran, B.,Zwart, P.,Prasad, B.V.,Palzkill, T.	Analysis of the binding forces driving the tight interactions between beta-lactamase inhibitory protein-II (BLIP-II) and class A beta-lactamases.	J.Biol.Chem.	2011	286	32723	32735	
3QI0	21775426	Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases	2011-01-26	2011-07-20	Brown, N.G.,Chow, D.C.,Sankaran, B.,Zwart, P.,Prasad, B.V.,Palzkill, T.	Analysis of the binding forces driving the tight interactions between beta-lactamase inhibitory protein-II (BLIP-II) and class A beta-lactamases.	J.Biol.Chem.	2011	286	32723	32735	
3R7P	21784983	The crystal structure of I-LtrI	2011-03-22	2011-07-20	Takeuchi, R.,Lambert, A.R.,Mak, A.N.,Jacoby, K.,Dickson, R.J.,Gloor, G.B.,Scharenberg, A.M.,Edgell, D.R.,Stoddard, B.L.	Tapping natural reservoirs of homing endonucleases for targeted gene modification.	Proc.Natl.Acad.Sci.USA	2011	108	13077	13082	
3R7P	21784983	The crystal structure of I-LtrI	2011-03-22	2011-07-20	Takeuchi, R.,Lambert, A.R.,Mak, A.N.,Jacoby, K.,Dickson, R.J.,Gloor, G.B.,Scharenberg, A.M.,Edgell, D.R.,Stoddard, B.L.	Tapping natural reservoirs of homing endonucleases for targeted gene modification.	Proc.Natl.Acad.Sci.USA	2011	108	13077	13082	
3SJ5	21721586	I5F Mutant Structure of T. Tengcongensis H-NOX	2011-06-20	2011-07-20	Weinert, E.E.,Phillips-Piro, C.M.,Tran, R.,Mathies, R.A.,Marletta, M.A.	Controlling Conformational Flexibility of an O2-Binding H-NOX Domain.	Biochemistry	2011	50	6832	6840	
3SVT	25613812	Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans	2011-07-12	2011-07-20	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3SWX	25613812	Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus	2011-07-14	2011-07-27	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3STH	27859784	Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Toxoplasma gondii	2011-07-10	2011-08-03	Dubey, R.,Staker, B.L.,Foe, I.T.,Bogyo, M.,Myler, P.J.,Ngo, H.M.,Gubbels, M.J.	Membrane skeletal association and post-translational allosteric regulation of Toxoplasma gondii GAPDH1.	Mol.Microbiol.	2017	103	618	634	
3SVK	25613812	Crystal structure of Acetyl-CoA acetyltransferase from Mycobacterium avium	2011-07-12	2011-08-03	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3SWO	25613812	Crystal structure of a glutaryl-coa dehydrogenase from mycobacterium smegmatis in complex with FADH2	2011-07-14	2011-08-03	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3SWT	25613812	Crystal Structure of the Taurine catabolism dioxygenase, TauD from Mycobacterium marinum	2011-07-14	2011-08-03	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3SP1	28303005	Crystal structure of cysteinyl-tRNA synthetase (cysS) from Borrelia burgdorferi	2011-06-30	2011-08-17	Moen, S.O.,Edwards, T.E.,Dranow, D.M.,Clifton, M.C.,Sankaran, B.,Van Voorhis, W.C.,Sharma, A.,Manoil, C.,Staker, B.L.,Myler, P.J.,Lorimer, D.D.	Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.	Sci Rep	2017	7	223	223	
3T1D	32647813	The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin	2011-07-21	2011-08-17	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.	J Struct Biol X	2019	2	100008	100008	
3RM4	20666458	AMCase in complex with Compound 1	2011-04-20	2011-08-24	Cole, D.C.,Olland, A.M.,Jacob, J.,Brooks, J.,Bursavich, M.G.,Czerwinski, R.,Declercq, C.,Johnson, M.,Joseph-McCarthy, D.,Ellingboe, J.W.,Lin, L.,Nowak, P.,Presman, E.,Strand, J.,Tam, A.,Williams, C.M.M.,Yao, S.,Tsao, D.H.H.,Fitz, L.J.	Identification and Characterization of Acidic Mammalian Chitinase Inhibitors	J.Med.Chem.	2010	53	6122	6128	
3RM8	20666458	AMCase in complex with Compound 2	2011-04-20	2011-08-24	Cole, D.C.,Olland, A.M.,Jacob, J.,Brooks, J.,Bursavich, M.G.,Czerwinski, R.,Declercq, C.,Johnson, M.,Joseph-McCarthy, D.,Ellingboe, J.W.,Lin, L.,Nowak, P.,Presman, E.,Strand, J.,Tam, A.,Williams, C.M.M.,Yao, S.,Tsao, D.H.H.,Fitz, L.J.	Identification and Characterization of Acidic Mammalian Chitinase Inhibitors	J.Med.Chem.	2010	53	6122	6128	
3RM9	20666458	AMCase in complex with Compound 3	2011-04-20	2011-08-24	Cole, D.C.,Olland, A.M.,Jacob, J.,Brooks, J.,Bursavich, M.G.,Czerwinski, R.,Declercq, C.,Johnson, M.,Joseph-McCarthy, D.,Ellingboe, J.W.,Lin, L.,Nowak, P.,Presman, E.,Strand, J.,Tam, A.,Williams, C.M.M.,Yao, S.,Tsao, D.H.H.,Fitz, L.J.	Identification and Characterization of Acidic Mammalian Chitinase Inhibitors	J.Med.Chem.	2010	53	6122	6128	
3RME	20666458	AMCase in complex with Compound 5	2011-04-20	2011-08-24	Cole, D.C.,Olland, A.M.,Jacob, J.,Brooks, J.,Bursavich, M.G.,Czerwinski, R.,Declercq, C.,Johnson, M.,Joseph-McCarthy, D.,Ellingboe, J.W.,Lin, L.,Nowak, P.,Presman, E.,Strand, J.,Tam, A.,Williams, C.M.M.,Yao, S.,Tsao, D.H.H.,Fitz, L.J.	Identification and Characterization of Acidic Mammalian Chitinase Inhibitors	J.Med.Chem.	2010	53	6122	6128	
3TCR	25613812	Crystal structure of a molybdopterin biosynthesis protein from Mycobacterium abscessus	2011-08-09	2011-08-24	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3QHC	21872605	Crystal structure of Symerythrin from Cyanophora paradoxa, reduced with dithionite	2011-01-25	2011-08-31	Cooley, R.B.,Arp, D.J.,Karplus, P.A.	Symerythrin structures at atomic resolution and the origins of rubrerythrins and the ferritin-like superfamily.	J.Mol.Biol.	2011	413	177	194	
3SID	21872605	Crystal structure of oxidized Symerythrin from Cyanophora paradoxa, azide adduct at 50% occupancy	2011-06-17	2011-08-31	Cooley, R.B.,Arp, D.J.,Karplus, P.A.	Symerythrin structures at atomic resolution and the origins of rubrerythrins and the ferritin-like superfamily.	J.Mol.Biol.	2011	413	177	194	
3TF6		Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2	2011-08-15	2011-09-07	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands	To be published	0	7	0	0	
3TL3	25613812	Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans	2011-08-29	2011-09-07	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3R3L	21917929	Structure of NP protein from Lassa AV strain	2011-03-16	2011-09-14	Brunotte, L.,Kerber, R.,Shang, W.,Hauer, F.,Hass, M.,Gabriel, M.,Lelke, M.,Busch, C.,Stark, H.,Svergun, D.I.,Betzel, C.,Perbandt, M.,Gunther, S.	Structure of the Lassa virus nucleoprotein revealed by X-ray crystallography, small-angle X-ray scattering, and electron microscopy.	J.Biol.Chem.	2011	286	38748	38756	
3T3W	25613812	Crystal structure of probable enoyl-COA hydratase from mycobacterium thermoresistibile	2011-07-25	2011-09-14	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3TRR	25613812	Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus	2011-09-09	2011-09-21	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3S26	21911364	Crystal Structure of Murine Siderocalin (Lipocalin 2, 24p3)	2011-05-16	2011-09-28	Bandaranayake, A.D.,Correnti, C.,Ryu, B.Y.,Brault, M.,Strong, R.K.,Rawlings, D.J.	Daedalus: a robust, turnkey platform for rapid production of decigram quantities of active recombinant proteins in human cell lines using novel lentiviral vectors.	Nucleic Acids Res.	2011	39	0	0	
3TV2		Structure of a class II fumarate hydratase from Burkholderia pseudomallei	2011-09-19	2011-09-28	Clifton, M.C.,Abendroth, J.,Seattle Structural Genomics Center for Infectious Disease (SSGCID),Sankaran, B.	Structure of a class II fumarate hydratase from Burkholderia pseudomallei	To be Published	0	0	0	0	
3PEC		Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis	2010-10-25	2011-10-05	Hoette, T.M.,Clifton, M.C.,Zawadzka, A.M.,Holmes, M.A.,Strong, R.K.,Raymond, K.R.	Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis	To be Published	0	0	0	0	
3PED		Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis	2010-10-25	2011-10-05	Hoette, T.M.,Clifton, M.C.,Zawadzka, A.M.,Holmes, M.A.,Strong, R.K.,Raymond, K.R.	Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis	To be Published	0	0	0	0	
3TK1	25832174	Crystal structure of a MeaB and Rv1496 ortholog from Mycobacterium thermoresistible bound to GDP	2011-08-25	2011-10-05	Edwards, T.E.,Baugh, L.,Bullen, J.,Baydo, R.O.,Witte, P.,Thompkins, K.,Phan, I.Q.,Abendroth, J.,Clifton, M.C.,Sankaran, B.,Van Voorhis, W.C.,Myler, P.J.,Staker, B.L.,Grundner, C.,Lorimer, D.D.	Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.	J.Struct.Funct.Genom.	2015	16	91	99	
3TSC	28120876	Crystal structure of short chain dehydrogenase MAP_2410 from Mycobacterium paratuberculosis bound to NAD	2011-09-12	2011-10-05	Haft, D.H.,Pierce, P.G.,Mayclin, S.J.,Sullivan, A.,Gardberg, A.S.,Abendroth, J.,Begley, D.W.,Phan, I.Q.,Staker, B.L.,Myler, P.J.,Marathias, V.M.,Lorimer, D.D.,Edwards, T.E.	Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.	Sci Rep	2017	7	41074	41074	
3TSM		Crystal structure of Indole-3-glycerol phosphate synthase from Brucella melitensis	2011-09-13	2011-10-05	Gardberg, A.,Edwards, T.,Sankaran, B.,Staker, B.,Stewart, L.	Crystal structure of Indole-3-glycerol phosphate synthase from Brucella melitensis	To be Published	0	0	0	0	
3TZQ	25613812	Crystal structure of a short-chain type dehydrogenase/reductase from Mycobacterium marinum	2011-09-27	2011-10-05	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3TZU	25613812	Crystal structure of a glycine cleavage system H protein (GCVH) from Mycobacterium marinum	2011-09-27	2011-10-05	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3U0A	25613812	Crystal structure of an Acyl-CoA thioesterase II TesB2 from Mycobacterium marinum	2011-09-28	2011-10-05	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
3PPF	21689631	Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, alanine variant without zinc	2010-11-24	2011-10-12	Ubhi, D.,Kavanagh, K.L.,Monzingo, A.F.,Robertus, J.D.	Structure of Candida albicans methionine synthase determined by employing surface residue mutagenesis.	Arch.Biochem.Biophys.	2011	513	19	26	
3QS4	21952050	Crystal structure of LeuT mutant F259V bound to sodium and L-tryptophan	2011-02-19	2011-10-12	Piscitelli, C.L.,Gouaux, E.	Insights into transport mechanism from LeuT engineered to transport tryptophan.	Embo J.	2012	31	228	235	
3TDC	21944854	Crystal Structure of Human Acetyl-CoA carboxylase 2	2011-08-10	2011-10-12	Yamashita, T.,Kamata, M.,Endo, S.,Yamamoto, M.,Kakegawa, K.,Watanabe, H.,Miwa, K.,Yamano, T.,Funata, M.,Sakamoto, J.,Tani, A.,Mol, C.D.,Zou, H.,Dougan, D.R.,Sang, B.,Snell, G.,Fukatsu, K.	Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.	Bioorg.Med.Chem.Lett.	2011	21	6314	6318	
3U0D	22928018	The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA	2011-09-28	2011-10-12	Correnti, C.,Richardson, V.,Sia, A.K.,Bandaranayake, A.D.,Ruiz, M.,Suryo Rahmanto, Y.,Kovacevic, Z.,Clifton, M.C.,Holmes, M.A.,Kaiser, B.K.,Barasch, J.,Raymond, K.N.,Richardson, D.R.,Strong, R.K.	Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines.	Plos One	2012	7	0	0	
3P0V	22014573	anti-EGFR/HER3 Fab DL11 alone	2010-09-29	2011-10-19	Schaefer, G.,Haber, L.,Crocker, L.M.,Shia, S.,Shao, L.,Dowbenko, D.,Totpal, K.,Wong, A.,Lee, C.V.,Stawicki, S.,Clark, R.,Fields, C.,Lewis Phillips, G.D.,Prell, R.A.,Danilenko, D.M.,Franke, Y.,Stephan, J.P.,Hwang, J.,Wu, Y.,Bostrom, J.,Sliwkowski, M.X.,Fuh, G.,Eigenbrot, C.	A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.	Cancer Cell	2011	20	472	486	
3P0Y	22014573	anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region	2010-09-29	2011-10-26	Schaefer, G.,Haber, L.,Crocker, L.M.,Shia, S.,Shao, L.,Dowbenko, D.,Totpal, K.,Wong, A.,Lee, C.V.,Stawicki, S.,Clark, R.,Fields, C.,Lewis Phillips, G.D.,Prell, R.A.,Danilenko, D.M.,Franke, Y.,Stephan, J.P.,Hwang, J.,Wu, Y.,Bostrom, J.,Sliwkowski, M.X.,Fuh, G.,Eigenbrot, C.	A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.	Cancer Cell	2011	20	472	486	
3U0E	31237717	Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with fragment 9320	2011-09-28	2011-10-26	Patterson, E.I.,Nanson, J.D.,Abendroth, J.,Bryan, C.,Sankaran, B.,Myler, P.J.,Forwood, J.K.	Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.	Proteins	2020	88	47	56	
3RU8	22021856	Structure of an HIV epitope scaffold in complex with neutralizing antibody b12 Fab	2011-05-04	2011-11-02	Azoitei, M.L.,Correia, B.E.,Ban, Y.E.,Carrico, C.,Kalyuzhniy, O.,Chen, L.,Schroeter, A.,Huang, P.S.,McLellan, J.S.,Kwong, P.D.,Baker, D.,Strong, R.K.,Schief, W.R.	Computation-guided backbone grafting of a discontinuous motif onto a protein scaffold.	Science	2011	334	373	376	
3UF8	24366729	Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with a G95A surface mutation from Burkholderia pseudomallei complexed with FK506	2011-10-31	2011-11-09	Begley, D.W.,Fox, D.,Jenner, D.,Juli, C.,Pierce, P.G.,Abendroth, J.,Muruthi, M.,Safford, K.,Anderson, V.,Atkins, K.,Barnes, S.R.,Moen, S.O.,Raymond, A.C.,Stacy, R.,Myler, P.J.,Staker, B.L.,Harmer, N.J.,Norville, I.H.,Holzgrabe, U.,Sarkar-Tyson, M.,Edwards, T.E.,Lorimer, D.D.	A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.	Antimicrob.Agents Chemother.	2014	58	1458	1467	
3SXK		Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator	2011-07-15	2011-11-16	Czelakowski, G.P.,Derewenda, Z.S.	Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator	To be Published	0	0	0	0	
3SXM		Metal-free FCD domain of TM0439 a putative transcriptional regulator	2011-07-15	2011-11-16	Czelakowski, G.P.,Derewenda, Z.S.	Metal-free FCD domain of TM0439 a putative transcriptional regulator	To be Published	0	0	0	0	
3RGB	22013879	Crystal structure of particulate methane monooxygenase from Methylococcus capsulatus (Bath)	2011-04-08	2011-11-23	Smith, S.M.,Rawat, S.,Telser, J.,Hoffman, B.M.,Stemmler, T.L.,Rosenzweig, A.C.	Crystal Structure and Characterization of Particulate Methane Monooxygenase from Methylocystis species Strain M.	Biochemistry	2011	50	10231	10240	
3UQB	24366729	Crystal structure of a SMT Fusion PEPTIDYL-PROLYL CIS-TRANS ISOMERASE with surface mutation D44G from Burkholderia pseudomallei complexed with FK506	2011-11-19	2011-11-30	Begley, D.W.,Fox, D.,Jenner, D.,Juli, C.,Pierce, P.G.,Abendroth, J.,Muruthi, M.,Safford, K.,Anderson, V.,Atkins, K.,Barnes, S.R.,Moen, S.O.,Raymond, A.C.,Stacy, R.,Myler, P.J.,Staker, B.L.,Harmer, N.J.,Norville, I.H.,Holzgrabe, U.,Sarkar-Tyson, M.,Edwards, T.E.,Lorimer, D.D.	A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.	Antimicrob.Agents Chemother.	2014	58	1458	1467	
3UQA	24366729	Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation A54E from Burkholderia pseudomallei complexed with FK506	2011-11-19	2011-12-07	Begley, D.W.,Fox, D.,Jenner, D.,Juli, C.,Pierce, P.G.,Abendroth, J.,Muruthi, M.,Safford, K.,Anderson, V.,Atkins, K.,Barnes, S.R.,Moen, S.O.,Raymond, A.C.,Stacy, R.,Myler, P.J.,Staker, B.L.,Harmer, N.J.,Norville, I.H.,Holzgrabe, U.,Sarkar-Tyson, M.,Edwards, T.E.,Lorimer, D.D.	A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.	Antimicrob.Agents Chemother.	2014	58	1458	1467	
3UPT	23382856	Crystal structure of a transketolase from Burkholderia pseudomallei bound to TPP, calcium and ribose-5-phosphate	2011-11-18	2011-12-14	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3UZU		The structure of the Ribosomal RNA small subunit methyltransferase A from Burkholderia pseudomallei	2011-12-07	2011-12-14	Clifton, M.C.,Abendroth, J.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	The structure of the Ribosomal RNA small subunit methyltransferase A from Burkholderia pseudomallei	TO BE PUBLISHED	0	0	0	0	
3SAO	22153502	The Siderocalin Ex-FABP functions through dual ligand specificities	2011-06-03	2011-12-28	Correnti, C.,Clifton, M.C.,Abergel, R.J.,Allred, B.,Hoette, T.M.,Ruiz, M.,Cancedda, R.,Raymond, K.N.,Descalzi, F.,Strong, R.K.	Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities.	Structure	2011	19	1796	1806	
3V2I	23382856	Structure of a Peptidyl-tRNA hydrolase (PTH) from Burkholderia thailandensis	2011-12-12	2012-01-11	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3VAV	23382856	Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase from Burkholderia thailandensis	2011-12-29	2012-01-18	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3VAW	24366729	Crystal structure of a smt fusion peptidyl-prolyl cis-trans isomerase with surface mutation v3i from burkholderia pseudomallei complexed with fk506	2011-12-29	2012-01-18	Begley, D.W.,Fox, D.,Jenner, D.,Juli, C.,Pierce, P.G.,Abendroth, J.,Muruthi, M.,Safford, K.,Anderson, V.,Atkins, K.,Barnes, S.R.,Moen, S.O.,Raymond, A.C.,Stacy, R.,Myler, P.J.,Staker, B.L.,Harmer, N.J.,Norville, I.H.,Holzgrabe, U.,Sarkar-Tyson, M.,Edwards, T.E.,Lorimer, D.D.	A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.	Antimicrob.Agents Chemother.	2014	58	1458	1467	
3V8H	23382856	Crystal structure of Thymidylate Synthase from Burkholderia thailandensis	2011-12-22	2012-01-25	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3V9O	23382856	Crystal structure of Dihydroneopterin aldolase (BTH_I0291) from Burkholderia thailendensis bound to guanine.	2011-12-27	2012-01-25	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3U0S	22267011	Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6	2011-09-29	2012-02-01	Eiben, C.B.,Siegel, J.B.,Bale, J.B.,Cooper, S.,Khatib, F.,Shen, B.W.,Players, F.,Stoddard, B.L.,Popovic, Z.,Baker, D.	Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.	Nat.Biotechnol.	2012	30	190	192	
3T1G	22306579	Engineering of organophosphate hydrolase by computational design and directed evolution	2011-07-21	2012-02-08	Khare, S.D.,Kipnis, Y.,Greisen, P.J.,Takeuchi, R.,Ashani, Y.,Goldsmith, M.,Song, Y.,Gallaher, J.L.,Silman, I.,Leader, H.,Sussman, J.L.,Stoddard, B.L.,Tawfik, D.S.,Baker, D.	Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis.	Nat.Chem.Biol.	2012	8	294	300	
3V7O	24699737	Crystal structure of the C-terminal domain of Ebola virus VP30 (strain Reston-89)	2011-12-21	2012-02-08	Clifton, M.C.,Kirchdoerfer, R.N.,Atkins, K.,Abendroth, J.,Raymond, A.,Grice, R.,Barnes, S.,Moen, S.,Lorimer, D.,Edwards, T.E.,Myler, P.J.,Saphire, E.O.	Structure of the Reston ebolavirus VP30 C-terminal domain.	Acta Crystallogr F Struct Biol	2014	70	457	460	
4DCH	22298776	Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations	2012-01-17	2012-02-08	Liu, S.,Ammirati, M.J.,Song, X.,Knafels, J.D.,Zhang, J.,Greasley, S.E.,Pfefferkorn, J.A.,Qiu, X.	Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.	J.Biol.Chem.	2012	287	13598	13610	
4DFE	23382856	Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase III from Burkholderia xenovorans	2012-01-23	2012-02-08	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
4DHE	23382856	Crystal structure of a probable GTP-binding protein engB from Burkholderia thailandensis	2012-01-27	2012-02-08	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3UVF	22334611	Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space	2011-11-29	2012-02-29	Jacoby, K.,Metzger, M.,Shen, B.W.,Certo, M.T.,Jarjour, J.,Stoddard, B.L.,Scharenberg, A.M.	Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.	Nucleic Acids Res.	2012	40	4954	4964	
3V7Q	22355167	Crystal structure of B. subtilis YlxQ at 1.55 A resolution	2011-12-21	2012-03-07	Baird, N.J.,Zhang, J.,Hamma, T.,Ferre-D'Amare, A.R.	YbxF and YlxQ are bacterial homologs of L7Ae and bind K-turns but not K-loops.	Rna	2012	18	759	770	
4DV8	22342144	Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421	2012-02-22	2012-03-14	Jiao, G.S.,Kim, S.,Moayeri, M.,Crown, D.,Thai, A.,Cregar-Hernandez, L.,McKasson, L.,Sankaran, B.,Lehrer, A.,Wong, T.,Johns, L.,Margosiak, S.A.,Leppla, S.H.,Johnson, A.T.	Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain.	Bioorg.Med.Chem.Lett.	2012	22	2242	0	
3VBQ	22339127	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design	2012-01-02	2012-03-21	Good, A.C.,Liu, J.,Hirth, B.,Asmussen, G.,Xiang, Y.,Biemann, H.P.,Bishop, K.A.,Fremgen, T.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.	J.Med.Chem.	2012	55	2641	2648	
3VBT	22339127	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design	2012-01-02	2012-03-21	Good, A.C.,Liu, J.,Hirth, B.,Asmussen, G.,Xiang, Y.,Biemann, H.P.,Bishop, K.A.,Fremgen, T.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.	J.Med.Chem.	2012	55	2641	2648	
3VBV	22339127	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design	2012-01-02	2012-03-21	Good, A.C.,Liu, J.,Hirth, B.,Asmussen, G.,Xiang, Y.,Biemann, H.P.,Bishop, K.A.,Fremgen, T.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.	J.Med.Chem.	2012	55	2641	2648	
3VBW	22339127	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design	2012-01-02	2012-03-21	Good, A.C.,Liu, J.,Hirth, B.,Asmussen, G.,Xiang, Y.,Biemann, H.P.,Bishop, K.A.,Fremgen, T.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.	J.Med.Chem.	2012	55	2641	2648	
3VBX	22339127	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design	2012-01-02	2012-03-21	Good, A.C.,Liu, J.,Hirth, B.,Asmussen, G.,Xiang, Y.,Biemann, H.P.,Bishop, K.A.,Fremgen, T.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.	J.Med.Chem.	2012	55	2641	2648	
3VBY	22339127	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design	2012-01-02	2012-03-21	Good, A.C.,Liu, J.,Hirth, B.,Asmussen, G.,Xiang, Y.,Biemann, H.P.,Bishop, K.A.,Fremgen, T.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.	Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.	J.Med.Chem.	2012	55	2641	2648	
4E4T	23382856	Crystal structure of Phosphoribosylaminoimidazole carboxylase, ATPase subunit from Burkholderia ambifaria	2012-03-13	2012-03-28	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
4DT6	22458568	Co-crystal structure of eIF4E with inhibitor	2012-02-20	2012-04-11	Chen, X.,Kopecky, D.J.,Mihalic, J.,Jeffries, S.,Min, X.,Heath, J.,Deignan, J.,Lai, S.,Fu, Z.,Guimaraes, C.,Shen, S.,Li, S.,Johnstone, S.,Thibault, S.,Xu, H.,Cardozo, M.,Shen, W.,Walker, N.,Kayser, F.,Wang, Z.	Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.	J.Med.Chem.	2012	55	3837	3851	
4EFI	23382856	Crystal Structure of 3-oxoacyl-(Acyl-carrier protein) Synthase from Burkholderia Xenovorans LB400	2012-03-29	2012-04-11	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
4EM8		The Structure of Ribose 5-phosphate Isomerase B from Anaplasma phagocytophilum	2012-04-11	2012-04-25	Clifton, M.C.,Edwards, T.E.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	The Structure of Ribose 5-phosphate Isomerase B from Anaplasma phagocytophilum	To be Published	0	0	0	0	
4EGF	25613812	Crystal structure of a L-xylulose reductase from Mycobacterium smegmatis	2012-03-30	2012-05-02	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
4EG0	23382856	Crystal Structure of D-alanine--D-alanine ligase from Burkholderia ambifaria	2012-03-30	2012-05-09	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3RSW		Crystal Structure of Heart Fatty Acid Binding Protein (FABP3)	2011-05-02	2012-05-16	Carney, D.F.,Shankaran, B.,Zwart, P.H.,Stebbins, J.W.,Prasad, G.S.	Crystal Structure of Heart Fatty Acid Binding Protein (FABP3)	To be Published	0	0	0	0	
3TJQ	22578544	N-domain of HtrA1	2011-08-24	2012-05-16	Eigenbrot, C.,Ultsch, M.,Lipari, M.T.,Moran, P.,Lin, S.J.,Ganesan, R.,Quan, C.,Tom, J.,Sandoval, W.,van Lookeren Campagne, M.,Kirchhofer, D.	Structural and Functional Analysis of HtrA1 and Its Subdomains.	Structure	2012	20	1040	1050	
4EF4	22579474	Crystal structure of STING CTD complex with c-di-GMP	2012-03-29	2012-05-16	Ouyang, S.,Song, X.,Wang, Y.,Ru, H.,Shaw, N.,Jiang, Y.,Niu, F.,Zhu, Y.,Qiu, W.,Parvatiyar, K.,Li, Y.,Zhang, R.,Cheng, G.,Liu, Z.J.	Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding	Immunity	2012	36	1073	1086	
4EQY	23382856	Crystal structure of Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase from Burkholderia thailandensis	2012-04-19	2012-05-16	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
4EXQ	23382856	CRYSTAL STRUCTURE of UROPORPHYRINOGEN DECARBOXYLASE (UPD) FROM BURKHOLDERIA THAILANDENSIS E264	2012-04-30	2012-05-16	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
3T03	22584573	Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16	2011-07-19	2012-05-23	Amato, A.A.,Rajagopalan, S.,Lin, J.Z.,Carvalho, B.M.,Figueira, A.C.,Lu, J.,Ayers, S.D.,Mottin, M.,Silveira, R.L.,Souza, P.C.,Mourao, R.H.,Saad, M.J.,Togashi, M.,Simeoni, L.A.,Abdalla, D.S.,Skaf, M.S.,Polikparpov, I.,Lima, M.C.,Galdino, S.L.,Brennan, R.G.,Baxter, J.D.,Pitta, I.R.,Webb, P.,Phillips, K.J.,Neves, F.A.	GQ-16, a novel peroxisome proliferator-activated receptor (PPAR gamma) ligand, promotes insulin sensitization without weight gain.	J.Biol.Chem.	2012	287	28169	28179	
4F3P		Crystal structure of a Glutamine-binding periplasmic protein from Burkholderia pseudomallei in complex with glutamine	2012-05-09	2012-05-23	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Fairman, J.W.,Staker, B.,Myler, P.,Stewart, L.	Crystal structure of a Glutamine-binding periplasmic protein from Burkholderia pseudomallei in complex with glutamine	To be Published	0	0	0	0	
4E6Q	22591402	JAK2 kinase (JH1 domain) triple mutant in complex with compound 12	2012-03-15	2012-05-30	Kulagowski, J.J.,Blair, W.,Bull, R.J.,Chang, C.,Deshmukh, G.,Dyke, H.J.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Harrison, T.K.,Hewitt, P.R.,Liimatta, M.,Hurley, C.A.,Johnson, A.,Johnson, T.,Kenny, J.R.,Bir Kohli, P.,Maxey, R.J.,Mendonca, R.,Mortara, K.,Murray, J.,Narukulla, R.,Shia, S.,Steffek, M.,Ubhayakar, S.,Ultsch, M.,van Abbema, A.,Ward, S.I.,Waszkowycz, B.,Zak, M.	Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.	J.Med.Chem.	2012	55	5901	5921	
4DD8	22684055	ADAM-8 metalloproteinase domain with bound batimastat	2012-01-18	2012-06-06	Hall, T.,Shieh, H.S.,Day, J.E.,Caspers, N.,Chrencik, J.E.,Williams, J.M.,Pegg, L.E.,Pauley, A.M.,Moon, A.F.,Krahn, J.M.,Fischer, D.H.,Kiefer, J.R.,Tomasselli, A.G.,Zack, M.D.	Structure of human ADAM-8 catalytic domain complexed with batimastat.	Acta Crystallogr.,Sect.F	2012	68	616	621	
4FC2	24465839	Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain	2012-05-23	2012-06-06	Wang, Z.,Gagne, J.P.,Poirier, G.G.,Xu, W.	Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase.	PLoS ONE	2014	9	0	0	
4F40	25945716	X-ray crystal structure of Apo prostaglandin f synthase from Leishmania major Friedlin	2012-05-09	2012-06-13	Moen, S.O.,Fairman, J.W.,Barnes, S.R.,Sullivan, A.,Nakazawa-Hewitt, S.,Van Voorhis, W.C.,Staker, B.L.,Lorimer, D.D.,Myler, P.J.,Edwards, T.E.	Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.	Acta Crystallogr F Struct Biol	2015	71	609	614	
4F83	23523511	Crystal structure of the receptor binding domain of botulinum neurotoxin mosaic serotype C/D with a tetraethylene glycol molecule bound on the Hcn sub-domain and a sulfate ion at the putative active site	2012-05-16	2012-06-20	Zhang, Y.,Gardberg, A.S.,Edwards, T.E.,Sankaran, B.,Robinson, H.,Varnum, S.M.,Buchko, G.W.	Structural insights into the functional role of the Hcn sub-domain of the receptor-binding domain of the botulinum neurotoxin mosaic serotype C/D.	Biochimie	2013	95	1379	1385	
4F82		X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia	2012-05-16	2012-06-27	Fairman, J.W.,Davies, D.R.,Sankaran, B.,Staker, B.L.,Stewart, L.	X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia	TO BE PUBLISHED	0	0	0	0	
4DK6	22561373	Structure of Editosome protein	2012-02-03	2012-07-04	Park, Y.J.,Budiarto, T.,Wu, M.,Pardon, E.,Steyaert, J.,Hol, W.G.	The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2.	Nucleic Acids Res.	2012	40	6966	6977	
4EHZ	22698084	The Jak1 kinase domain in complex with inhibitor	2012-04-04	2012-07-04	Zak, M.,Mendonca, R.,Balazs, M.,Barrett, K.,Bergeron, P.,Blair, W.S.,Chang, C.,Deshmukh, G.,Devoss, J.,Dragovich, P.S.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Gradl, S.,Hamman, C.,Hanan, E.J.,Harstad, E.,Hewitt, P.R.,Hurley, C.A.,Jin, T.,Johnson, A.,Johnson, T.,Kenny, J.R.,Koehler, M.F.,Bir Kohli, P.,Kulagowski, J.J.,Labadie, S.,Liao, J.,Liimatta, M.,Lin, Z.,Lupardus, P.J.,Maxey, R.J.,Murray, J.M.,Pulk, R.,Rodriguez, M.,Savage, S.,Shia, S.,Steffek, M.,Ubhayakar, S.,Ultsch, M.,van Abbema, A.,Ward, S.I.,Xiao, L.,Xiao, Y.	Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.	J.Med.Chem.	2012	55	6176	6193	
4F08	22698084	Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2	2012-05-03	2012-07-04	Zak, M.,Mendonca, R.,Balazs, M.,Barrett, K.,Bergeron, P.,Blair, W.S.,Chang, C.,Deshmukh, G.,Devoss, J.,Dragovich, P.S.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Gradl, S.,Hamman, C.,Hanan, E.J.,Harstad, E.,Hewitt, P.R.,Hurley, C.A.,Jin, T.,Johnson, A.,Johnson, T.,Kenny, J.R.,Koehler, M.F.,Bir Kohli, P.,Kulagowski, J.J.,Labadie, S.,Liao, J.,Liimatta, M.,Lin, Z.,Lupardus, P.J.,Maxey, R.J.,Murray, J.M.,Pulk, R.,Rodriguez, M.,Savage, S.,Shia, S.,Steffek, M.,Ubhayakar, S.,Ultsch, M.,van Abbema, A.,Ward, S.I.,Xiao, L.,Xiao, Y.	Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.	J.Med.Chem.	2012	55	6176	6193	
4FS8	22712827	The structure of an As(III) S-adenosylmethionine methyltransferase: insights into the mechanism of arsenic biotransformation	2012-06-27	2012-07-11	Ajees, A.A.,Marapakala, K.,Packianathan, C.,Sankaran, B.,Rosen, B.P.	Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation.	Biochemistry	2012	51	5476	5485	
4F0L		Crystal structure of Amidohydrolase from Brucella melitensis	2012-05-04	2012-07-25	Gardberg, A.S.,Abendroth, J.,Staker, B.,Stewart, L.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of Amidohydrolase from Brucella melitensis	To be Published	0	0	0	0	
4FN2	24366729	Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation D44G from Burkholderia pseudomallei complexed with CJ37	2012-06-19	2012-08-01	Begley, D.W.,Fox, D.,Jenner, D.,Juli, C.,Pierce, P.G.,Abendroth, J.,Muruthi, M.,Safford, K.,Anderson, V.,Atkins, K.,Barnes, S.R.,Moen, S.O.,Raymond, A.C.,Stacy, R.,Myler, P.J.,Staker, B.L.,Harmer, N.J.,Norville, I.H.,Holzgrabe, U.,Sarkar-Tyson, M.,Edwards, T.E.,Lorimer, D.D.	A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.	Antimicrob.Agents Chemother.	2014	58	1458	1467	
4G50	24366729	Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation D44G from Burkholderia pseudomallei complexed with CJ168	2012-07-17	2012-08-01	Begley, D.W.,Fox, D.,Jenner, D.,Juli, C.,Pierce, P.G.,Abendroth, J.,Muruthi, M.,Safford, K.,Anderson, V.,Atkins, K.,Barnes, S.R.,Moen, S.O.,Raymond, A.C.,Stacy, R.,Myler, P.J.,Staker, B.L.,Harmer, N.J.,Norville, I.H.,Holzgrabe, U.,Sarkar-Tyson, M.,Edwards, T.E.,Lorimer, D.D.	A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.	Antimicrob.Agents Chemother.	2014	58	1458	1467	
4G67	23382856	Crystal structure of a COG1565 superfamily member and likely methyl transferase from Burkholderia thailandensis bound to S-adenosyl-homocysteine	2012-07-18	2012-08-01	Baugh, L.,Gallagher, L.A.,Patrapuvich, R.,Clifton, M.C.,Gardberg, A.S.,Edwards, T.E.,Armour, B.,Begley, D.W.,Dieterich, S.H.,Dranow, D.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Staker, B.L.,Phan, I.,Gillespie, A.,Choi, R.,Nakazawa-Hewitt, S.,Nguyen, M.T.,Napuli, A.,Barrett, L.,Buchko, G.W.,Stacy, R.,Myler, P.J.,Stewart, L.J.,Manoil, C.,Van Voorhis, W.C.	Combining functional and structural genomics to sample the essential Burkholderia structome.	Plos One	2013	8	0	0	
4G6Z	28303005	Crystal structure of a glutamyl-tRNA synthetase GluRS from Burkholderia thailandensis bound to L-glutamate	2012-07-19	2012-08-01	Moen, S.O.,Edwards, T.E.,Dranow, D.M.,Clifton, M.C.,Sankaran, B.,Van Voorhis, W.C.,Sharma, A.,Manoil, C.,Staker, B.L.,Myler, P.J.,Lorimer, D.D.	Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.	Sci Rep	2017	7	223	223	
4G3C	22921830	Crystal structure of apo murine Nf-kappaB inducing kinase (NIK)	2012-07-13	2012-08-08	de Leon-Boenig, G.,Bowman, K.K.,Feng, J.A.,Crawford, T.,Everett, C.,Franke, Y.,Oh, A.,Stanley, M.,Staben, S.T.,Starovasnik, M.A.,Wallweber, H.J.,Wu, J.,Wu, L.C.,Johnson, A.R.,Hymowitz, S.G.	The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.	Structure	2012	20	1704	1714	
4G3F	22921830	Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)	2012-07-13	2012-08-08	de Leon-Boenig, G.,Bowman, K.K.,Feng, J.A.,Crawford, T.,Everett, C.,Franke, Y.,Oh, A.,Stanley, M.,Staben, S.T.,Starovasnik, M.A.,Wallweber, H.J.,Wu, J.,Wu, L.C.,Johnson, A.R.,Hymowitz, S.G.	The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.	Structure	2012	20	1704	1714	
4GIE	25945716	Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP	2012-08-08	2012-08-15	Moen, S.O.,Fairman, J.W.,Barnes, S.R.,Sullivan, A.,Nakazawa-Hewitt, S.,Van Voorhis, W.C.,Staker, B.L.,Lorimer, D.D.,Myler, P.J.,Edwards, T.E.	Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.	Acta Crystallogr F Struct Biol	2015	71	609	614	
4DMI		Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences (CASP)	2012-02-07	2012-08-29	Craig, T.K.,Abendroth, J.,Lorimer, D.,Burgin Jr, A.B.,Segall, A.,Rohwer, F.	Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences	To be Published	0	0	0	0	
4ERS	22908259	A Molecular Basis for Negative Regulation of the Glucagon Receptor	2012-04-20	2012-08-29	Koth, C.M.,Murray, J.M.,Mukund, S.,Madjidi, A.,Minn, A.,Clarke, H.J.,Wong, T.,Chiang, V.,Luis, E.,Estevez, A.,Rondon, J.,Zhang, Y.,Hotzel, I.,Allan, B.B.	Molecular basis for negative regulation of the glucagon receptor.	Proc.Natl.Acad.Sci.USA	2012	109	14393	14398	
4FNX	22932897	Crystal structure of the apo R1275Q anaplastic lymphoma kinase catalytic domain	2012-06-20	2012-08-29	Epstein, L.F.,Chen, H.,Emkey, R.,Whittington, D.A.	The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.	J.Biol.Chem.	2012	287	37447	37457	
3TMH		Crystal structure of dual-specific A-kinase anchoring protein 2 in complex with cAMP-dependent protein kinase A type II alpha and PDZK1	2011-08-31	2012-09-05	Sarma, G.N.,Phan, R.H.,Sankaran, B.,Taylor, S.S.	Differential mode of D-AKAP2 to PKA isoforms: Insights from D-AKAP2 PKA RII PDZK1 ternary complex structure	To be Published	0	0	0	0	
4F0I	22902478	Crystal structure of apo TrkA	2012-05-04	2012-09-05	Bertrand, T.,Kothe, M.,Liu, J.,Dupuy, A.,Rak, A.,Berne, P.F.,Davis, S.,Gladysheva, T.,Valtre, C.,Crenne, J.Y.,Mathieu, M.	The Crystal Structures of TrkA and TrkB Suggest Key Regions for Achieving Selective Inhibition.	J.Mol.Biol.	2012	423	439	453	
4GT1	25832174	Crystal structure of a MeaB- and MMAA-like GTPase from Mycobacterium tuberculosis bound to 2'-deoxyguanosine diphosphate	2012-08-28	2012-09-05	Edwards, T.E.,Baugh, L.,Bullen, J.,Baydo, R.O.,Witte, P.,Thompkins, K.,Phan, I.Q.,Abendroth, J.,Clifton, M.C.,Sankaran, B.,Van Voorhis, W.C.,Myler, P.J.,Staker, B.L.,Grundner, C.,Lorimer, D.D.	Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.	J.Struct.Funct.Genom.	2015	16	91	99	
4GRD		Crystal structure of Phosphoribosylaminoimidazole carboxylase catalytic subunit from Burkholderia cenocepacia J2315	2012-08-24	2012-09-12	SSGCID,Davies, D.R.,Abendroth, J.A.,Staker, B.,Stewart, L.	Crystal structure of Phosphoribosylaminoimidazole carboxylase catalytic subunit from Burkholderia cenocepacia J2315	TO BE PUBLISHED	0	0	0	0	
4GL8		X-ray crystal structure of a periplasmic oligopeptide-binding protein/Oligopeptide ABC transporter(OppAIV) from Borrelia burgdorferi	2012-08-13	2012-09-19	Fairman, J.W.,Abendroth, J.,Sankaran, B.,Staker, B.L.	X-ray crystal structure of a periplasmic oligopeptide-binding protein/Oligopeptide ABC transporter(OppAIV) from Borrelia burgdorferi	TO BE PUBLISHED	0	0	0	0	
4AOI	22924734	Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile	2012-03-27	2012-09-26	Cui, J.J.,Mctigue, M.,Nambu, M.,Tran-Dube, M.,Pairish, M.,Shen, H.,Jia, L.,Cheng, H.,Hoffman, J.,Le, P.,Jalaie, M.,Goetz, G.H.,Ryan, K.,Grodsky, N.,Deng, Y.,Parker, M.,Timofeevski, S.,Murray, B.W.,Yamazaki, S.,Aguirre, S.,Li, Q.,Zou, H.,Christensen, J.	Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.	J.Med.Chem.	2012	55	8091	0	
4DUS	24900403	Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide	2012-02-22	2012-10-10	Kaller, M.R.,Harried, S.S.,Albrecht, B.,Amarante, P.,Babu-Khan, S.,Bartberger, M.D.,Brown, J.,Brown, R.,Chen, K.,Cheng, Y.,Citron, M.,Croghan, M.D.,Graceffa, R.,Hickman, D.,Judd, T.,Kriemen, C.,La, D.,Li, V.,Lopez, P.,Luo, Y.,Masse, C.,Monenschein, H.,Nguyen, T.,Pennington, L.D.,Miguel, T.S.,Sickmier, E.A.,Wahl, R.C.,Weiss, M.M.,Wen, P.H.,Williamson, T.,Wood, S.,Xue, M.,Yang, B.,Zhang, J.,Patel, V.,Zhong, W.,Hitchcock, S.	A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.	ACS Med Chem Lett	2012	3	886	891	
4HDT	25613812	Crystal structure of a Carnitinyl-CoA dehydratase from Mycobacterium thermoresistibile	2012-10-02	2012-10-10	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
4FNJ	23025897	Utilizing the GAAA tetraloop/receptor to facilitate crystal packing and structure determination of a CUG RNA helix	2012-06-19	2012-10-17	Coonrod, L.A.,Lohman, J.R.,Berglund, J.A.	Utilizing the GAAA Tetraloop/Receptor To Facilitate Crystal Packing and Determination of the Structure of a CUG RNA Helix.	Biochemistry	2012	51	8330	8337	
4FJZ	22876881	Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63	2012-06-12	2012-10-24	Gonzalez-Lopez de Turiso, F.,Shin, Y.,Brown, M.,Cardozo, M.,Chen, Y.,Fong, D.,Hao, X.,He, X.,Henne, K.,Hu, Y.L.,Johnson, M.G.,Kohn, T.,Lohman, J.,McBride, H.J.,McGee, L.R.,Medina, J.C.,Metz, D.,Miner, K.,Mohn, D.,Pattaropong, V.,Seganish, J.,Simard, J.L.,Wannberg, S.,Whittington, D.A.,Yu, G.,Cushing, T.D.	Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors	J.Med.Chem.	2012	55	7667	7685	
4HGE	23061660	JAK2 kinase (JH1 domain) in complex with compound 8	2012-10-08	2012-10-24	Hanan, E.J.,van Abbema, A.,Barrett, K.,Blair, W.S.,Blaney, J.,Chang, C.,Eigenbrot, C.,Flynn, S.,Gibbons, P.,Hurley, C.A.,Kenny, J.R.,Kulagowski, J.,Lee, L.,Magnuson, S.R.,Morris, C.,Murray, J.,Pastor, R.M.,Rawson, T.,Siu, M.,Ultsch, M.,Zhou, A.,Sampath, D.,Lyssikatos, J.P.	Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors.	J.Med.Chem.	2012	55	10090	10107	
4HVT		Structure of a Post-proline cleaving enzyme from Rickettsia typhi	2012-11-07	2012-11-28	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Fox III, D.,Edwards, T.E.,Staker, B.L.	Structure of a Post-proline cleaving enzyme from Rickettsia typhi	To be Published	0	0	0	0	
4HWG		Structure of UDP-N-acetylglucosamine 2-epimerase from Rickettsia bellii	2012-11-07	2012-11-28	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Davies, D.R.,Edwards, T.E.,Staker, B.L.	Structure of UDP-N-acetylglucosamine 2-epimerase from Rickettsia bellii	TO BE PUBLISHED	0	0	0	0	
4E6T	23192027	Structure of LpxA from Acinetobacter baumannii at 1.8A resolution (P212121 form)	2012-03-15	2012-12-12	Badger, J.,Chie-Leon, B.,Logan, C.,Sridhar, V.,Sankaran, B.,Zwart, P.H.,Nienaber, V.	Structure determination of LpxA from the lipopolysaccharide-synthesis pathway of Acinetobacter baumannii.	Acta Crystallogr.,Sect.F	2012	68	1477	1481	
4I1Y	25613812	The structure of Cysteine synthase from Mycobacterium ulcerans Agy99	2012-11-21	2012-12-26	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
4HLE	23265894	Compound 21 (1-alkyl-substituted 1,2,4-triazoles)	2012-10-16	2013-01-09	Staben, S.T.,Blaquiere, N.,Tsui, V.,Kolesnikov, A.,Do, S.,Bradley, E.K.,Dotson, J.,Goldsmith, R.,Heffron, T.P.,Lesnick, J.,Lewis, C.,Murray, J.,Nonomiya, J.,Olivero, A.G.,Pang, J.,Rouge, L.,Salphati, L.,Wei, B.,Wiesmann, C.,Wu, P.	Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.	Bioorg.Med.Chem.Lett.	2013	23	897	901	
4I1V		Crystal structure of a dephospho-CoA kinase from Burkholderia vietnamiensis bound to ADP	2012-11-21	2013-01-09	Edwards, T.E.,Clifton, M.C.,Sankaran, B.,Seattle Structural Genomics Center for Infectious Disease (SSGCID)	Crystal structure of a dephospho-CoA kinase from Burkholderia vietnamiensis bound to ADP	TO BE PUBLISHED	0	0	0	0	
4I24	23273428	Structure of T790M EGFR kinase domain co-crystallized with dacomitinib	2012-11-21	2013-01-16	Gajiwala, K.S.,Feng, J.,Ferre, R.,Ryan, K.,Brodsky, O.,Weinrich, S.,Kath, J.C.,Stewart, A.	Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.	Structure	2013	21	209	219	
4IEM	23355472	Human apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+	2012-12-13	2013-01-23	Tsutakawa, S.E.,Shin, D.S.,Mol, C.D.,Izumi, T.,Arvai, A.S.,Mantha, A.K.,Szczesny, B.,Ivanov, I.N.,Hosfield, D.J.,Maiti, B.,Pique, M.E.,Frankel, K.A.,Hitomi, K.,Cunningham, R.P.,Mitra, S.,Tainer, J.A.	Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.	J.Biol.Chem.	2013	288	8445	8455	
3UKR	22623398	Crystal structure of Bos taurus Arp2/3 complex with bound inhibitor CK-666	2011-11-09	2013-02-13	Baggett, A.W.,Cournia, Z.,Han, M.S.,Patargias, G.,Glass, A.C.,Liu, S.Y.,Nolen, B.J.	Structural characterization and computer-aided optimization of a small-molecule inhibitor of the Arp2/3 complex, a key regulator of the actin cytoskeleton.	Chemmedchem	2012	7	1286	1294	
3UKU		Structure of Arp2/3 complex with bound inhibitor CK-869	2011-11-09	2013-02-13	Nolen, B.J.,Han, M.	Structure of Arp2/3 complex with bound inhibitor CK-869	To be Published	0	0	0	0	
4IYQ		Crystal structure of divalent ion tolerance protein CutA1 from Ehrlichia chaffeensis	2013-01-29	2013-02-13	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Buchko, G.W.,Craig, T.,Lorimer, D.,Edwards, T.E.	Crystal structure of divalent ion tolerance protein CutA1 from Ehrlichia chaffeensis	To be Published	0	0	0	0	
4EOY	22982544	Plasmodium falciparum Atg8 in complex with Plasmodium falciparum Atg3 peptide	2012-04-16	2013-02-20	Hain, A.U.,Weltzer, R.R.,Hammond, H.,Jayabalasingham, B.,Dinglasan, R.R.,Graham, D.R.,Colquhoun, D.R.,Coppens, I.,Bosch, J.	Structural characterization and inhibition of the Plasmodium Atg8-Atg3 interaction.	J.Struct.Biol.	2012	180	551	562	
4INH	23365454	Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus	2013-01-04	2013-02-20	Muhaxhiri, Z.,Deng, L.,Shanker, S.,Sankaran, B.,Estes, M.K.,Palzkill, T.,Song, Y.,Prasad, B.V.	Structural basis of substrate specificity and protease inhibition in norwalk virus.	J.Virol.	2013	87	4281	4292	
4IXO		X-ray structure of NifS-like protein from Rickettsia africae ESF-5	2013-01-27	2013-02-27	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Fox III, D.,Lorimer, D.,Edwards, T.E.	X-ray structure of NifS-like protein from Rickettsia africae ESF-5	To be Published	0	0	0	0	
4I4E	23414845	Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound.	2012-11-27	2013-03-06	Tomita, N.,Hayashi, Y.,Suzuki, S.,Oomori, Y.,Aramaki, Y.,Matsushita, Y.,Iwatani, M.,Iwata, H.,Okabe, A.,Awazu, Y.,Isono, O.,Skene, R.J.,Hosfield, D.J.,Miki, H.,Kawamoto, T.,Hori, A.,Baba, A.	Structure-based discovery of cellular-active allosteric inhibitors of FAK.	Bioorg.Med.Chem.Lett.	2013	23	1779	1785	
4J3G		Crystal structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis	2013-02-05	2013-03-13	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Fairman, J.W.,Lorimer, D.,Edwards, T.E.	Crystal structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis	TO BE PUBLISHED	0	0	0	0	
4IV6	25613812	X-ray crystal structure of an isovaleryl-CoA dehydrogenase from Mycobacterium smegmatis	2013-01-22	2013-03-20	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
4JPD		The structure of CyaY from Burkholderia cenocepacia	2013-03-19	2013-03-27	Clifton, M.C.,Davies, D.,Sankaran, B.	The structure of CyaY from Burkholderia cenocepacia	To be Published	0	0	0	0	
4FAD	22749419	Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR	2012-05-22	2013-04-03	Le, P.T.,Cheng, H.,Ninkovic, S.,Plewe, M.,Huang, X.,Wang, H.,Bagrodia, S.,Sun, S.,Knighton, D.R.,LaFleur Rogers, C.M.,Pannifer, A.,Greasley, S.,Dalvie, D.,Zhang, E.	Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR	Bioorg.Med.Chem.Lett.	2012	22	5098	5103	
3U48		From soil to structure: a novel dimeric family 3-beta-glucosidase isolated from compost using metagenomic analysis	2011-10-07	2013-04-10	McAndrew, R.P.,Park, J.I.,Reindl, W.,Friedland, G.D.,D'haeseleer, P.,Northen, T.,Sale, K.L.,Simmons, B.A.,Adams, P.D.	From soil to structure: a novel dimeric family 3-beta-glucosidase isolated from compost using metagenomic analysis	To be Published	0	0	0	0	
4J1G	23569220	Leanyer orthobunyavirus nucleoprotein-ssRNA complex	2013-02-01	2013-04-10	Niu, F.,Shaw, N.,Wang, Y.E.,Jiao, L.,Ding, W.,Li, X.,Zhu, P.,Upur, H.,Ouyang, S.,Cheng, G.,Liu, Z.J.	Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.	Proc.Natl.Acad.Sci.USA	2013	110	9054	9059	
4EZJ	22672799	Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf	2012-05-02	2013-04-17	Sutherlin, D.P.,Baker, S.,Bisconte, A.,Blaney, P.M.,Brown, A.,Chan, B.K.,Chantry, D.,Castanedo, G.,DePledge, P.,Goldsmith, P.,Goldstein, D.M.,Hancox, T.,Kaur, J.,Knowles, D.,Kondru, R.,Lesnick, J.,Lucas, M.C.,Lewis, C.,Murray, J.,Nadin, A.J.,Nonomiya, J.,Pang, J.,Pegg, N.,Price, S.,Reif, K.,Safina, B.S.,Salphati, L.,Staben, S.,Seward, E.M.,Shuttleworth, S.,Sohal, S.,Sweeney, Z.K.,Ultsch, M.,Waszkowycz, B.,Wei, B.	Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf	Bioorg.Med.Chem.Lett.	2012	22	4296	4302	
4EZL	22672799	Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf	2012-05-02	2013-04-17	Sutherlin, D.P.,Baker, S.,Bisconte, A.,Blaney, P.M.,Brown, A.,Chan, B.K.,Chantry, D.,Castanedo, G.,DePledge, P.,Goldsmith, P.,Goldstein, D.M.,Hancox, T.,Kaur, J.,Knowles, D.,Kondru, R.,Lesnick, J.,Lucas, M.C.,Lewis, C.,Murray, J.,Nadin, A.J.,Nonomiya, J.,Pang, J.,Pegg, N.,Price, S.,Reif, K.,Safina, B.S.,Salphati, L.,Staben, S.,Seward, E.M.,Shuttleworth, S.,Sohal, S.,Sweeney, Z.K.,Ultsch, M.,Waszkowycz, B.,Wei, B.	Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf	Bioorg.Med.Chem.Lett.	2012	22	4296	4302	
4HT5	23572529	CO2 concentrating mechanism protein P, CcmP form 1	2012-10-31	2013-04-17	Cai, F.,Sutter, M.,Cameron, J.C.,Stanley, D.N.,Kinney, J.N.,Kerfeld, C.A.	The structure of CcmP, a tandem bacterial microcompartment domain protein from the beta-carboxysome, forms a subcompartment within a microcompartment.	J.Biol.Chem.	2013	288	16055	16063	
4HT7	23572529	CO2 concentrating mechanism protein P, CcmP form 2	2012-10-31	2013-04-17	Cai, F.,Sutter, M.,Cameron, J.C.,Stanley, D.N.,Kinney, J.N.,Kerfeld, C.A.	The structure of CcmP, a tandem bacterial microcompartment domain protein from the beta-carboxysome, forms a subcompartment within a microcompartment.	J.Biol.Chem.	2013	288	16055	16063	
3U9P	22928018	Crystal Structure of Murine Siderocalin in Complex with an Fab Fragment	2011-10-19	2013-05-01	Correnti, C.,Richardson, V.,Sia, A.K.,Bandaranayake, A.D.,Ruiz, M.,Suryo Rahmanto, Y.,Kovacevic, Z.,Clifton, M.C.,Holmes, M.A.,Kaiser, B.K.,Barasch, J.,Raymond, K.N.,Richardson, D.R.,Strong, R.K.	Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines.	Plos One	2012	7	0	0	
4KAM	25613812	X-ray crystal structure of O-acetylhomoserine sulfhydrylase MetC from Mycobacterium marinum ATCC BAA-535 / M	2013-04-22	2013-05-01	Baugh, L.,Phan, I.,Begley, D.W.,Clifton, M.C.,Armour, B.,Dranow, D.M.,Taylor, B.M.,Muruthi, M.M.,Abendroth, J.,Fairman, J.W.,Fox, D.,Dieterich, S.H.,Staker, B.L.,Gardberg, A.S.,Choi, R.,Hewitt, S.N.,Napuli, A.J.,Myers, J.,Barrett, L.K.,Zhang, Y.,Ferrell, M.,Mundt, E.,Thompkins, K.,Tran, N.,Lyons-Abbott, S.,Abramov, A.,Sekar, A.,Serbzhinskiy, D.,Lorimer, D.,Buchko, G.W.,Stacy, R.,Stewart, L.J.,Edwards, T.E.,Van Voorhis, W.C.,Myler, P.J.	Increasing the structural coverage of tuberculosis drug targets.	Tuberculosis (Edinb)	2015	95	142	148	
4HF1	23644595	Crystal Structure of IscR bound to its promoter	2012-10-04	2013-05-08	Rajagopalan, S.,Teter, S.J.,Zwart, P.H.,Brennan, R.G.,Phillips, K.J.,Kiley, P.J.	Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity.	Nat.Struct.Mol.Biol.	2013	20	740	747	
3ZNQ	23631755	IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN	2013-02-15	2013-05-15	Hopkins, S.C.,Heffernan, M.L.R.,Saraswat, L.D.,Bowen, C.A.,Melnick, L.,Hardy, L.W.,Orsini, M.A.,Allen, M.S.,Koch, P.,Spear, K.L.,Foglesong, R.J.,Soukri, M.,Chytil, M.,Fang, Q.K.,Jones, S.W.,Varney, M.A.,Panatier, A.,Oliet, S.H.R.,Pollegioni, L.,Piubelli, L.,Molla, G.,Nardini, M.,Large, T.H.	Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.	J.Med.Chem.	2013	56	3710	0	
4J4X	23576501	Crystal structure of GraVN	2013-02-07	2013-05-22	Jiao, L.,Ouyang, S.,Liang, M.,Niu, F.,Shaw, N.,Wu, W.,Ding, W.,Jin, C.,Peng, Y.,Zhu, Y.,Zhang, F.,Wang, T.,Li, C.,Zuo, X.,Luan, C.H.,Li, D.,Liu, Z.J.	Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential	J.Virol.	2013	87	6829	6839	
4JNK	23628333	Lactate Dehydrogenase A in complex with inhibitor compound 22	2013-03-15	2013-05-22	Dragovich, P.S.,Fauber, B.P.,Corson, L.B.,Ding, C.Z.,Eigenbrot, C.,Ge, H.,Giannetti, A.M.,Hunsaker, T.,Labadie, S.,Liu, Y.,Malek, S.,Pan, B.,Peterson, D.,Pitts, K.,Purkey, H.E.,Sideris, S.,Ultsch, M.,Vanderporten, E.,Wei, B.,Xu, Q.,Yen, I.,Yue, Q.,Zhang, H.,Zhang, X.	Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.	Bioorg.Med.Chem.Lett.	2013	23	3186	3194	
4JDX	23716688	Structure of the Fluorescence Recovery Protein from Synechocystis sp PCC 6803	2013-02-25	2013-05-29	Sutter, M.,Wilson, A.,Leverenz, R.L.,Lopez-Igual, R.,Thurotte, A.,Salmeen, A.E.,Kirilovsky, D.,Kerfeld, C.A.	Crystal structure of the FRP and identification of the active site for modulation of OCP-mediated photoprotection in cyanobacteria.	Proc.Natl.Acad.Sci.USA	2013	110	10022	10027	
4K73		X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv	2013-04-16	2013-06-12	Lukacs, C.M.,Abendroth, J.,Edwards, T.E.,Lorimer, D.	X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv (CASP Target)	TO BE PUBLISHED	0	0	0	0	
4JL9	23746807	Crystal structure of mouse TBK1 bound to BX795	2013-03-12	2013-06-19	Shu, C.,Sankaran, B.,Chaton, C.T.,Herr, A.B.,Mishra, A.,Peng, J.,Li, P.	Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.	Structure	2013	21	1137	1148	
4IER	23747973	Cys-persulfenate bound Cysteine Dioxygenase at pH 5.5 in the presence of Cys	2012-12-13	2013-06-26	Driggers, C.M.,Cooley, R.B.,Sankaran, B.,Hirschberger, L.L.,Stipanuk, M.H.,Karplus, P.A.	Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.	J.Mol.Biol.	2013	425	3121	3136	
4IES	23747973	Cys-persulfenate bound Cysteine Dioxygenase at pH 6.2 in the presence of Cys	2012-12-13	2013-06-26	Driggers, C.M.,Cooley, R.B.,Sankaran, B.,Hirschberger, L.L.,Stipanuk, M.H.,Karplus, P.A.	Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.	J.Mol.Biol.	2013	425	3121	3136	
4IET	23747973	Cys-persulfenate bound Cysteine Dioxygenase at pH 6.8 in the presence of Cys	2012-12-13	2013-06-26	Driggers, C.M.,Cooley, R.B.,Sankaran, B.,Hirschberger, L.L.,Stipanuk, M.H.,Karplus, P.A.	Cysteine dioxygenase structures from pH4 to 9: consistent cys-persulfenate formation at intermediate pH and a Cys-bound enzyme at higher pH.	J.Mol.Biol.	2013	425	3121	3136	
4IEU	23747973	Cys-persulfenate bound Cysteine Dioxygenase at pH 7.0 in the presence of Cys	2012-12-13	2013-06-26	Driggers, C.M.,Cooley, R.B.,Sankaran, B.,Hirschberger, L.L.,Stipanuk, M.H.,Karplus, P.A.	Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.	J.Mol.Biol.	2013	425	3121	3136	
4JBK	23567559	Molecular basis for abrogation of activation of pro-inflammatory cytokines	2013-02-19	2013-06-26	Ru, H.,Ni, X.,Zhao, L.,Crowley, C.,Ding, W.,Hung, L.-W.,Shaw, N.,Cheng, G.,Liu, Z.-J.	Structural basis for termination of AIM2-mediated signaling by p202	Cell Res.	2013	23	855	858	
4JBM	23567559	Structure of murine DNA binding protein bound with ds DNA	2013-02-19	2013-06-26	Ru, H.,Ni, X.,Zhao, L.,Crowley, C.,Ding, W.,Hung, L.-W.,Shaw, N.,Cheng, G.,Liu, Z.-J.	Structural basis for termination of AIM2-mediated signaling by p202	Cell Res.	2013	23	855	858	
4K9H	23769639	Bace-1 inhibitor complex	2013-04-19	2013-07-10	Pennington, L.D.,Whittington, D.A.,Bartberger, M.D.,Jordan, S.R.,Monenschein, H.,Nguyen, T.T.,Yang, B.H.,Xue, Q.M.,Vounatsos, F.,Wahl, R.C.,Chen, K.,Wood, S.,Citron, M.,Patel, V.F.,Hitchcock, S.A.,Zhong, W.	Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.	Bioorg.Med.Chem.Lett.	2013	23	4459	4464	
4G1W		Crystal structure of JNK1 in complex with JIP1 peptide and 7-Fluoro-3-[4-(2-hydroxy-ethanesulfonyl)-benzyl]-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid methyl ester	2012-07-11	2013-07-17	Gong, L.,Tan, Y.-C.,Boice, G.,Abbot, S.	Crystal structure of JNK1 in complex with JIP1 peptide and inhibitor	To be Published	0	0	0	0	
4KZP		Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis	2013-05-30	2013-07-24	Dranow, D.M.,Fairman, J.W.,Edwards, T.E.,Lorimer, D.	Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis	To be Published	0	0	0	0	
4K19	23755875	The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin	2013-04-04	2013-07-31	Allred, B.E.,Correnti, C.,Clifton, M.C.,Strong, R.K.,Raymond, K.N.	Siderocalin Outwits the Coordination Chemistry of Vibriobactin, a Siderophore of Vibrio cholerae.	Acs Chem.Biol.	2013	8	1882	1887	
4LCK	23892783	Co-crystal structure of a T-box riboswitch stem I domain in complex with its cognate tRNA	2013-06-21	2013-07-31	Zhang, J.,Ferre-D'Amare, A.R.	Co-crystal structure of a T-box riboswitch stem I domain in complex with its cognate tRNA.	Nature	2013	500	363	366	
4JVZ	23949415	Structure of Thermosynechococcus elongatus CcmL	2013-03-26	2013-09-04	Sutter, M.,Wilson, S.C.,Deutsch, S.,Kerfeld, C.A.	Two new high-resolution crystal structures of carboxysome pentamer proteins reveal high structural conservation of CcmL orthologs among distantly related cyanobacterial species.	Photosynth.Res.	2013	118	9	16	
4M49	24012183	Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18	2013-08-06	2013-09-04	Fauber, B.P.,Dragovich, P.S.,Chen, J.,Corson, L.B.,Ding, C.Z.,Eigenbrot, C.,Giannetti, A.M.,Hunsaker, T.,Labadie, S.,Liu, Y.,Liu, Y.,Malek, S.,Peterson, D.,Pitts, K.,Sideris, S.,Ultsch, M.,Vanderporten, E.,Wang, J.,Wei, B.,Yen, I.,Yue, Q.	Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.	Bioorg.Med.Chem.Lett.	2013	23	5533	5539	
4L7H		Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)	2013-06-13	2013-09-18	Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.,Yu, C.,Wang, W.,Smith, D.,Vigers, G.,Dutcher, D.,Hunt, K.W.,Siu, M.	Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)	Tetrahedron Lett.	2013	0	0	0	
4L7J		Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)	2013-06-13	2013-09-18	Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.,Yu, C.,Wang, W.,Smith, D.,Vigers, G.,Dutcher, D.,Hunt, K.W.,Siu, M.	Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)	Tetrahedron Lett.	2013	0	0	0	
4MI2		Crystal structure of putative Enoyl-CoA hydratase/isomerase from Mycobacterium abscessus	2013-08-30	2013-09-18	Davies, D.R.,Lukacs, C.,Lorimer, D.,Edwards, T.E.	Crystal structure of putative Enoyl-CoA hydratase/isomerase from Mycobacterium abscessus	To be Published	0	0	0	0	
4M6P	24021463	Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)	2013-08-10	2013-09-25	Zheng, X.,Bair, K.W.,Bauer, P.,Baumeister, T.,Bowman, K.K.,Buckmelter, A.J.,Caligiuri, M.,Clodfelter, K.H.,Feng, Y.,Han, B.,Ho, Y.C.,Kley, N.,Li, H.,Liang, X.,Liederer, B.M.,Lin, J.,Ly, J.,O'Brien, T.,Oeh, J.,Oh, A.,Reynolds, D.J.,Sampath, D.,Sharma, G.,Skelton, N.,Smith, C.C.,Tremayne, J.,Wang, L.,Wang, W.,Wang, Z.,Wu, H.,Wu, J.,Xiao, Y.,Yang, G.,Yuen, P.W.,Zak, M.,Dragovich, P.S.	Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).	Bioorg.Med.Chem.Lett.	2013	23	5488	5497	
4K6Z	24042009	The Jak1 kinase domain in complex with compound 37	2013-04-16	2013-10-02	Labadie, S.,Barrett, K.,Blair, W.S.,Chang, C.,Deshmukh, G.,Eigenbrot, C.,Gibbons, P.,Johnson, A.,Kenny, J.R.,Kohli, P.B.,Liimatta, M.,Lupardus, P.J.,Shia, S.,Steffek, M.,Ubhayakar, S.,Abbema, A.V.,Zak, M.	Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.	Bioorg.Med.Chem.Lett.	2013	23	5923	5930	
4LMP		Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-methyl adenosine	2013-07-10	2013-11-06	Kim, H.-B.,Hung, L.-W.,Goulding, C.W.,Terwilliger, T.C.,Kim, C.-Y.	Drug target analysis by dye-ligand affinity chromatography	To be Published	0	0	0	0	
4MF1	24138940	ITK kinase domain in complex with benzothiazole inhibitor 12b (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE	2013-08-27	2013-11-13	Mackinnon, C.H.,Lau, K.,Burch, J.D.,Chen, Y.,Dines, J.,Ding, X.,Eigenbrot, C.,Heifetz, A.,Jaochico, A.,Johnson, A.,Kraemer, J.,Kruger, S.,Krulle, T.M.,Liimatta, M.,Ly, J.,Maghames, R.,Montalbetti, C.A.,Ortwine, D.F.,Perez-Fuertes, Y.,Shia, S.,Stein, D.B.,Trani, G.,Vaidya, D.G.,Wang, X.,Bromidge, S.M.,Wu, L.C.,Pei, Z.	Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).	Bioorg.Med.Chem.Lett.	2013	23	6331	6335	
4MXV	24248355	Structure of Lymphotoxin alpha bound to anti-LTa Fab	2013-09-26	2013-11-13	Sudhamsu, J.,Yin, J.,Chiang, E.Y.,Starovasnik, M.A.,Grogan, J.L.,Hymowitz, S.G.	Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.	Proc.Natl.Acad.Sci.USA	2013	110	19896	19901	
4HVB	24900568	Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064	2012-11-05	2013-11-20	Cheng, H.,Li, C.,Bailey, S.,Baxi, S.M.,Goulet, L.,Guo, L.,Hoffman, J.,Jiang, Y.,Johnson, T.O.,Johnson, T.W.,Knighton, D.R.,Li, J.,Liu, K.K.,Liu, Z.,Marx, M.A.,Walls, M.,Wells, P.A.,Yin, M.J.,Zhu, J.,Zientek, M.	Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.	ACS Med Chem Lett	2013	4	91	97	
3ZBX	23944843	X-ray Structure of c-Met kinase in complex with inhibitor 6-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl) quinoline.	2012-11-13	2013-11-27	Cui, J.J.,Shen, H.,Tran-Dube, M.,Nambu, M.,Mctigue, M.,Grodsky, N.,Ryan, K.,Yamazaki, S.,Aguirre, S.,Parker, M.,Li, Q.,Zou, H.,Christensen, J.	Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.	J.Med.Chem.	2013	56	6651	0	
4L80	24206647	Crystal Structure of Chloroflexus aurantiacus malyl-CoA lyase in complex with magnesium, oxalate, and propionyl-CoA	2013-06-15	2013-12-04	Zarzycki, J.,Kerfeld, C.A.	The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases.	Bmc Struct.Biol.	2013	13	28	28	
4L9Z	24206647	Crystal Structure of Rhodobacter sphaeroides malyl-CoA lyase in complex with magnesium, oxalate, and CoA	2013-06-18	2013-12-04	Zarzycki, J.,Kerfeld, C.A.	The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases.	Bmc Struct.Biol.	2013	13	28	28	
4N7J	24259468	Tailoring Small Molecules for an Allosteric Site on Procaspase-6	2013-10-15	2013-12-18	Murray, J.,Giannetti, A.M.,Steffek, M.,Gibbons, P.,Hearn, B.R.,Cohen, F.,Tam, C.,Pozniak, C.,Bravo, B.,Lewcock, J.,Jaishankar, P.,Ly, C.Q.,Zhao, X.,Tang, Y.,Chugha, P.,Arkin, M.R.,Flygare, J.,Renslo, A.R.	Tailoring small molecules for an allosteric site on procaspase-6.	Chemmedchem	2014	9	73	77	
4N7M	24259468	Tailoring Small Molecules for an Allosteric Site on Procaspase-6	2013-10-15	2013-12-18	Murray, J.,Giannetti, A.M.,Steffek, M.,Gibbons, P.,Hearn, B.R.,Cohen, F.,Tam, C.,Pozniak, C.,Bravo, B.,Lewcock, J.,Jaishankar, P.,Ly, C.Q.,Zhao, X.,Tang, Y.,Chugha, P.,Arkin, M.R.,Flygare, J.,Renslo, A.R.	Tailoring small molecules for an allosteric site on procaspase-6.	Chemmedchem	2014	9	73	77	
4NBN	24259468	Tailoring Small Molecules for an Allosteric Site on Procaspase-6	2013-10-23	2013-12-18	Murray, J.,Giannetti, A.M.,Steffek, M.,Gibbons, P.,Hearn, B.R.,Cohen, F.,Tam, C.,Pozniak, C.,Bravo, B.,Lewcock, J.,Jaishankar, P.,Ly, C.Q.,Zhao, X.,Tang, Y.,Chugha, P.,Arkin, M.R.,Flygare, J.,Renslo, A.R.	Tailoring small molecules for an allosteric site on procaspase-6.	Chemmedchem	2014	9	73	77	
4N6G	24259468	Tailoring Small Molecules for an Allosteric Site on Procaspase-6	2013-10-11	2014-01-01	Murray, J.,Giannetti, A.M.,Steffek, M.,Gibbons, P.,Hearn, B.R.,Cohen, F.,Tam, C.,Pozniak, C.,Bravo, B.,Lewcock, J.,Jaishankar, P.,Ly, C.Q.,Zhao, X.,Tang, Y.,Chugha, P.,Arkin, M.R.,Flygare, J.,Renslo, A.R.	Tailoring small molecules for an allosteric site on procaspase-6.	Chemmedchem	2014	9	73	77	
4NH8	24332488	Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity	2013-11-04	2014-01-15	Ernst, J.T.,Liu, M.,Zuccola, H.,Neubert, T.,Beaumont, K.,Turnbull, A.,Kallel, A.,Vought, B.,Stamos, D.	Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases.	Bioorg.Med.Chem.Lett.	2014	24	204	208	
4CCB	24432909	Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine	2013-10-21	2014-01-29	Huang, Q.,Johnson, T.W.,Bailey, S.,Brooun, A.,Bunker, K.D.,Burke, B.J.,Collins, M.R.,Cook, A.,Cui, J.J.,Dack, K.N.,Deal, J.G.,Deng, Y.,Dinh, D.M.,Engstrom, L.D.,He, M.,Hoffman, J.,Hoffman, R.L.,Shen, H.,Johnson, P.,Kania, R.S.,Lam, H.,Lam, J.L.,Le, P.,Li, Q.,Lingardo, L.,Liu, W.,West Lu, M.,Mctigue, M.A.,Palmer, C.L.,Richardson, P.F.,Sach, N.W.,Smeal, T.,Smith, G.L.,Stewart, A.E.,Timofeevski, S.L.,Tsaparikos, K.,Wang, H.,Zhu, H.,Zhu, J.,Zou, H.Y.,Edwards, M.	The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.	J.Med.Chem.	2014	57	1170	0	
4JLR	24499818	Crystal structure of a designed Respiratory Syncytial Virus Immunogen in complex with Motavizumab	2013-03-12	2014-02-05	Correia, B.E.,Bates, J.T.,Loomis, R.J.,Baneyx, G.,Carrico, C.,Jardine, J.G.,Rupert, P.,Correnti, C.,Kalyuzhniy, O.,Vittal, V.,Connell, M.J.,Stevens, E.,Schroeter, A.,Chen, M.,Macpherson, S.,Serra, A.M.,Adachi, Y.,Holmes, M.A.,Li, Y.,Klevit, R.E.,Graham, B.S.,Wyatt, R.T.,Baker, D.,Strong, R.K.,Crowe, J.E.,Johnson, P.R.,Schief, W.R.	Proof of principle for epitope-focused vaccine design.	Nature	2014	507	201	206	
4JLR	24499818	Crystal structure of a designed Respiratory Syncytial Virus Immunogen in complex with Motavizumab	2013-03-12	2014-02-05	Correia, B.E.,Bates, J.T.,Loomis, R.J.,Baneyx, G.,Carrico, C.,Jardine, J.G.,Rupert, P.,Correnti, C.,Kalyuzhniy, O.,Vittal, V.,Connell, M.J.,Stevens, E.,Schroeter, A.,Chen, M.,Macpherson, S.,Serra, A.M.,Adachi, Y.,Holmes, M.A.,Li, Y.,Klevit, R.E.,Graham, B.S.,Wyatt, R.T.,Baker, D.,Strong, R.K.,Crowe, J.E.,Johnson, P.R.,Schief, W.R.	Proof of principle for epitope-focused vaccine design.	Nature	2014	507	201	206	
4L8I	24499818	Crystal structure of RSV epitope scaffold FFL_005	2013-06-17	2014-02-12	Correia, B.E.,Bates, J.T.,Loomis, R.J.,Baneyx, G.,Carrico, C.,Jardine, J.G.,Rupert, P.,Correnti, C.,Kalyuzhniy, O.,Vittal, V.,Connell, M.J.,Stevens, E.,Schroeter, A.,Chen, M.,Macpherson, S.,Serra, A.M.,Adachi, Y.,Holmes, M.A.,Li, Y.,Klevit, R.E.,Graham, B.S.,Wyatt, R.T.,Baker, D.,Strong, R.K.,Crowe, J.E.,Johnson, P.R.,Schief, W.R.	Proof of principle for epitope-focused vaccine design.	Nature	2014	507	201	206	
4NW5	24534486	Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8	2013-12-05	2014-02-19	Costales, A.,Mathur, M.,Ramurthy, S.,Lan, J.,Subramanian, S.,Jain, R.,Atallah, G.,Setti, L.,Lindvall, M.,Appleton, B.A.,Ornelas, E.,Feucht, P.,Warne, B.,Doyle, L.,Basham, S.E.,Aronchik, I.,Jefferson, A.B.,Shafer, C.M.	2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.	Bioorg.Med.Chem.Lett.	2014	24	1592	1596	
4NW6	24534486	Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27	2013-12-05	2014-02-19	Costales, A.,Mathur, M.,Ramurthy, S.,Lan, J.,Subramanian, S.,Jain, R.,Atallah, G.,Setti, L.,Lindvall, M.,Appleton, B.A.,Ornelas, E.,Feucht, P.,Warne, B.,Doyle, L.,Basham, S.E.,Aronchik, I.,Jefferson, A.B.,Shafer, C.M.	2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.	Bioorg.Med.Chem.Lett.	2014	24	1592	1596	
4O5H		X-ray crystal structure of a putative phenylacetaldehyde dehydrogenase from Burkholderia cenocepacia	2013-12-19	2014-02-19	Fairman, J.W.,Abendroth, J.,Edwards, T.E.,Lorimer, D.	X-ray crystal structure of a putative phenylacetaldehyde dehydrogenase from Burkholderia cenocepacia	TO BE PUBLISHED	0	0	0	0	
4OPA	24478439	X-ray structure of H6N6-NS1 delta(80-84) mutant	2014-02-05	2014-02-19	Carrillo, B.,Choi, J.M.,Bornholdt, Z.A.,Sankaran, B.,Rice, A.P.,Prasad, B.V.	The Influenza A Virus Protein NS1 Displays Structural Polymorphism.	J.Virol.	2014	88	4113	4122	
4OPH	24478439	X-ray structure of full-length H6N6 NS1	2014-02-05	2014-02-19	Carrillo, B.,Choi, J.M.,Bornholdt, Z.A.,Sankaran, B.,Rice, A.P.,Prasad, B.V.	The Influenza A Virus Protein NS1 Displays Structural Polymorphism.	J.Virol.	2014	88	4113	4122	
4KZ1	26646013	Crystal structure of the soluble domain of VirB8 from Bartonella grahamii	2013-05-29	2014-03-12	Gillespie, J.J.,Phan, I.Q.,Scheib, H.,Subramanian, S.,Edwards, T.E.,Lehman, S.S.,Piitulainen, H.,Rahman, M.S.,Rennoll-Bankert, K.E.,Staker, B.L.,Taira, S.,Stacy, R.,Myler, P.J.,Azad, A.F.,Pulliainen, A.T.	Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.	MBio	2015	6	0	0	
4NQU	24576605	anti-parallel Fc-knob (T366W) homodimer	2013-11-25	2014-03-12	Elliott, J.M.,Ultsch, M.,Lee, J.,Tong, R.,Takeda, K.,Spiess, C.,Eigenbrot, C.,Scheer, J.M.	Antiparallel Conformation of Knob and Hole Aglycosylated Half-Antibody Homodimers Is Mediated by a CH2-CH3 Hydrophobic Interaction.	J.Mol.Biol.	2014	426	1947	1957	
4P12	24648450	Native Structure of the P domain from a GI.7 Norovirus variant.	2014-02-24	2014-04-02	Shanker, S.,Czako, R.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.	J.Virol.	2014	88	6168	6180	
4P1V	24648450	Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA	2014-02-27	2014-04-02	Shanker, S.,Czako, R.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.	J.Virol.	2014	88	6168	6180	
4P25	24648450	Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA.	2014-03-01	2014-04-02	Shanker, S.,Czako, R.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.	J.Virol.	2014	88	6168	6180	
4P26	24648450	Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA	2014-03-01	2014-04-02	Shanker, S.,Czako, R.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.	J.Virol.	2014	88	6168	6180	
4P2N	24648450	Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA	2014-03-04	2014-04-02	Shanker, S.,Czako, R.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.	J.Virol.	2014	88	6168	6180	
4P3I	24648450	Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA.	2014-03-07	2014-04-02	Shanker, S.,Czako, R.,Sankaran, B.,Atmar, R.L.,Estes, M.K.,Prasad, B.V.	Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.	J.Virol.	2014	88	6168	6180	
4O07	24673104	Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease	2013-12-13	2014-04-09	Ernst, J.T.,Neubert, T.,Liu, M.,Sperry, S.,Zuccola, H.,Turnbull, A.,Fleck, B.,Kargo, W.,Woody, L.,Chiang, P.,Tran, D.,Chen, W.,Snyder, P.,Alcacio, T.,Nezami, A.,Reynolds, J.,Alvi, K.,Goulet, L.,Stamos, D.	Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.	J.Med.Chem.	2014	57	3382	3400	
4O0B	24673104	Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease	2013-12-13	2014-04-09	Ernst, J.T.,Neubert, T.,Liu, M.,Sperry, S.,Zuccola, H.,Turnbull, A.,Fleck, B.,Kargo, W.,Woody, L.,Chiang, P.,Tran, D.,Chen, W.,Snyder, P.,Alcacio, T.,Nezami, A.,Reynolds, J.,Alvi, K.,Goulet, L.,Stamos, D.	Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.	J.Med.Chem.	2014	57	3382	3400	
4PUZ	24779514	Crystal structure of spleen tyrosine kinase (Syk) in complex with GS-9973	2014-03-14	2014-04-23	Currie, K.S.,Kropf, J.E.,Lee, T.,Blomgren, P.,Xu, J.,Zhao, Z.,Gallion, S.,Whitney, J.A.,Maclin, D.,Lansdon, E.B.,Maciejewski, P.,Rossi, A.M.,Rong, H.,Macaluso, J.,Barbosa, J.,Di Paolo, J.A.,Mitchell, S.A.	Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.	J.Med.Chem.	2014	57	3856	3873	
4PS3	24754609	Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea	2014-03-06	2014-05-14	Collier, P.N.,Martinez-Botella, G.,Cornebise, M.,Cottrell, K.M.,Doran, J.D.,Griffith, J.P.,Mahajan, S.,Maltais, F.,Moody, C.S.,Huck, E.P.,Wang, T.,Aronov, A.M.	Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.	J.Med.Chem.	2015	58	517	521	
4PS7	24754609	Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide	2014-03-06	2014-05-14	Collier, P.N.,Martinez-Botella, G.,Cornebise, M.,Cottrell, K.M.,Doran, J.D.,Griffith, J.P.,Mahajan, S.,Maltais, F.,Moody, C.S.,Huck, E.P.,Wang, T.,Aronov, A.M.	Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.	J.Med.Chem.	2015	58	517	521	
4PS8	24754609	Structure of PI3K gamma in complex with N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide	2014-03-06	2014-05-14	Collier, P.N.,Martinez-Botella, G.,Cornebise, M.,Cottrell, K.M.,Doran, J.D.,Griffith, J.P.,Mahajan, S.,Maltais, F.,Moody, C.S.,Huck, E.P.,Wang, T.,Aronov, A.M.	Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.	J.Med.Chem.	2015	58	517	521	
4O6E	24813737	Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2	2013-12-20	2014-05-21	Blake, J.F.,Gaudino, J.J.,De Meese, J.,Mohr, P.,Chicarelli, M.,Tian, H.,Garrey, R.,Thomas, A.,Siedem, C.S.,Welch, M.B.,Kolakowski, G.,Kaus, R.,Burkard, M.,Martinson, M.,Chen, H.,Dean, B.,Dudley, D.A.,Gould, S.E.,Pacheco, P.,Shahidi-Latham, S.,Wang, W.,West, K.,Yin, J.,Moffat, J.,Schwarz, J.B.	Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.	Bioorg.Med.Chem.Lett.	2014	24	2635	2639	
4OLI	24843152	The pseudokinase/kinase protein from JAK-family member TYK2	2014-01-23	2014-05-28	Lupardus, P.J.,Ultsch, M.,Wallweber, H.,Bir Kohli, P.,Johnson, A.R.,Eigenbrot, C.	Structure of the pseudokinase-kinase domains from protein kinase TYK2 reveals a mechanism for Janus kinase (JAK) autoinhibition.	Proc.Natl.Acad.Sci.USA	2014	111	8025	8030	
4NYC	24768306	Crystal structure of the E. coli thiM riboswitch in complex with thieno[2,3-b]pyrazin-7-amine	2013-12-10	2014-06-04	Warner, K.D.,Homan, P.,Weeks, K.M.,Smith, A.G.,Abell, C.,Ferre-D'Amare, A.R.	Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.	Chem.Biol.	2014	21	591	595	
4PPA	24767842	ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)	2014-02-26	2014-06-04	Pastor, R.M.,Burch, J.D.,Magnuson, S.,Ortwine, D.F.,Chen, Y.,De La Torre, K.,Ding, X.,Eigenbrot, C.,Johnson, A.,Liimatta, M.,Liu, Y.,Shia, S.,Wang, X.,Wu, L.C.,Pei, Z.	Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.	Bioorg.Med.Chem.Lett.	2014	24	2448	2452	
4PTY	24816272	Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in apo form	2014-03-11	2014-06-18	Driggers, C.M.,Dayal, P.V.,Ellis, H.R.,Karplus, P.A.	Crystal Structure of Escherichia coli SsuE: Defining a General Catalytic Cycle for FMN Reductases of the Flavodoxin-like Superfamily.	Biochemistry	2014	53	3509	3519	
4PTZ	24816272	Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMN-bound form	2014-03-11	2014-06-18	Driggers, C.M.,Dayal, P.V.,Ellis, H.R.,Karplus, P.A.	Crystal Structure of Escherichia coli SsuE: Defining a General Catalytic Cycle for FMN Reductases of the Flavodoxin-like Superfamily.	Biochemistry	2014	53	3509	3519	
4LCI		Anti canine CD28 antibody, 1C6	2013-06-21	2014-06-25	Gewe, M.M.,Rupert, P.B.,Strong, R.K.	Anti canine CD28 antibody, 1C6	To be Published	0	0	0	0	
4PRJ	24918870	Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide)	2014-03-05	2014-07-02	Burch, J.D.,Lau, K.,Barker, J.J.,Brookfield, F.,Chen, Y.,Chen, Y.,Eigenbrot, C.,Ellebrandt, C.,Ismaili, M.H.,Johnson, A.,Kordt, D.,MacKinnon, C.H.,McEwan, P.A.,Ortwine, D.F.,Stein, D.B.,Wang, X.,Winkler, D.,Yuen, P.W.,Zhang, Y.,Zarrin, A.A.,Pei, Z.	Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.	J.Med.Chem.	2014	57	5714	5727	
4OPU	24954619	Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase	2014-02-06	2014-07-09	Kung, Y.,McAndrew, R.P.,Xie, X.,Liu, C.C.,Pereira, J.H.,Adams, P.D.,Keasling, J.D.	Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.	Structure	2014	22	1028	1036	
4LQ0		Crystal structure of the I-LtrWI LAGLIDADG homing endonuclease bound to target DNA.	2013-07-16	2014-07-16	Chik, J.,Shen, B.,Stoddard, B.	Structural Comparisons of LAGLIDADG Homing Endonucleases.	To be Published	0	0	0	0	
4QO8	25037916	Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104	2014-06-19	2014-07-16	Dragovich, P.S.,Fauber, B.P.,Boggs, J.,Chen, J.,Corson, L.B.,Ding, C.Z.,Eigenbrot, C.,Ge, H.,Giannetti, A.M.,Hunsaker, T.,Labadie, S.,Li, C.,Liu, Y.,Liu, Y.,Ma, S.,Malek, S.,Peterson, D.,Pitts, K.E.,Purkey, H.E.,Robarge, K.,Salphati, L.,Sideris, S.,Ultsch, M.,VanderPorten, E.,Wang, J.,Wei, B.,Xu, Q.,Yen, I.,Yue, Q.,Zhang, H.,Zhang, X.,Zhou, A.	Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.	Bioorg.Med.Chem.Lett.	2014	24	3764	3771	
4OLH	25001129	Human GKRP Bound to AMG5106 and Sorbitol-6-Phosphate	2014-01-23	2014-07-23	Hong, F.T.,Norman, M.H.,Ashton, K.S.,Bartberger, M.D.,Chen, J.,Chmait, S.,Cupples, R.,Fotsch, C.,Jordan, S.R.,Lloyd, D.J.,Sivits, G.,Tadesse, S.,Hale, C.,St Jean, D.J.	Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 4. Exploration of a novel binding pocket.	J.Med.Chem.	2014	57	5949	5964	
4P1U	25019388	Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor	2014-02-27	2014-07-30	Clark, M.P.,Ledeboer, M.W.,Davies, I.,Byrn, R.A.,Jones, S.M.,Perola, E.,Tsai, A.,Jacobs, M.,Nti-Addae, K.,Bandarage, U.K.,Boyd, M.J.,Bethiel, R.S.,Court, J.J.,Deng, H.,Duffy, J.P.,Dorsch, W.A.,Farmer, L.J.,Gao, H.,Gu, W.,Jackson, K.,Jacobs, D.H.,Kennedy, J.M.,Ledford, B.,Liang, J.,Maltais, F.,Murcko, M.,Wang, T.,Wannamaker, M.W.,Bennett, H.B.,Leeman, J.R.,McNeil, C.,Taylor, W.P.,Memmott, C.,Jiang, M.,Rijnbrand, R.,Bral, C.,Germann, U.,Nezami, A.,Zhang, Y.,Salituro, F.G.,Bennani, Y.L.,Charifson, P.S.	Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.	J.Med.Chem.	2014	57	6668	6678	
4QFS	25066137	Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor	2014-05-21	2014-08-06	Calabrese, M.F.,Rajamohan, F.,Harris, M.S.,Caspers, N.L.,Magyar, R.,Withka, J.M.,Wang, H.,Borzilleri, K.A.,Sahasrabudhe, P.V.,Hoth, L.R.,Geoghegan, K.F.,Han, S.,Brown, J.,Subashi, T.A.,Reyes, A.R.,Frisbie, R.K.,Ward, J.,Miller, R.A.,Landro, J.A.,Londregan, A.T.,Carpino, P.A.,Cabral, S.,Smith, A.C.,Conn, E.L.,Cameron, K.O.,Qiu, X.,Kurumbail, R.G.	Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.	Structure	2014	22	1161	1172	
4PK2	24906155	tubulin acetyltransferase complex with bisubstrate analog	2014-05-13	2014-08-13	Szyk, A.,Deaconescu, A.M.,Spector, J.,Goodman, B.,Valenstein, M.L.,Ziolkowska, N.E.,Kormendi, V.,Grigorieff, N.,Roll-Mecak, A.	Molecular basis for age-dependent microtubule acetylation by tubulin acetyltransferase.	Cell	2014	157	1405	1415	
4PK3	24906155	tubulin acetyltransferase complex with bisubstrate analog	2014-05-13	2014-08-13	Szyk, A.,Deaconescu, A.M.,Spector, J.,Goodman, B.,Valenstein, M.L.,Ziolkowska, N.E.,Kormendi, V.,Grigorieff, N.,Roll-Mecak, A.	Molecular basis for age-dependent microtubule acetylation by tubulin acetyltransferase.	Cell	2014	157	1405	1415	
4OTD	25111382	Crystal Structure of PRK1 Catalytic Domain	2014-02-13	2014-08-27	Chamberlain, P.,Delker, S.,Pagarigan, B.,Mahmoudi, A.,Jackson, P.,Abbasian, M.,Muir, J.,Raheja, N.,Cathers, B.	Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.	Plos One	2014	9	0	0	
4OX6	25117559	Structure of Synechococcus elongatus PCC 7942 CcmK4	2014-02-04	2014-08-27	Cai, F.,Sutter, M.,Bernstein, S.L.,Kinney, J.N.,Kerfeld, C.A.	Engineering bacterial microcompartment shells: chimeric shell proteins and chimeric carboxysome shells.	Acs Synth Biol	2015	4	444	453	
4OX7	25117559	Structure of Synechococcus elongatus PCC 7942 CcmK2	2014-02-04	2014-08-27	Cai, F.,Sutter, M.,Bernstein, S.L.,Kinney, J.N.,Kerfeld, C.A.	Engineering Bacterial Microcompartment Shells: Chimeric Shell Proteins and Chimeric Carboxysome Shells.	Acs Synth Biol	2014	0	0	0	
4OX8	25117559	Structure of Prochlorococcus marinus str. MIT 9313 CsoS1	2014-02-04	2014-08-27	Cai, F.,Sutter, M.,Bernstein, S.L.,Kinney, J.N.,Kerfeld, C.A.	Engineering Bacterial Microcompartment Shells: Chimeric Shell Proteins and Chimeric Carboxysome Shells.	Acs Synth Biol	2014	0	0	0	
4Q7X	25156428	Neutrophil serine protease 4 (PRSS57) apo form 1	2014-04-25	2014-09-03	Lin, S.J.,Dong, K.C.,Eigenbrot, C.,van Lookeren Campagne, M.,Kirchhofer, D.	Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.	Structure	2014	22	1333	1340	
4Q7Y	25156428	Neutrophil serine protease 4 (PRSS57) apo form 2	2014-04-25	2014-09-03	Lin, S.J.,Dong, K.C.,Eigenbrot, C.,van Lookeren Campagne, M.,Kirchhofer, D.	Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.	Structure	2014	22	1333	1340	
4Q80	25156428	Neutrophil serine protease 4 (PRSS57) with val-leu-lys-chloromethylketone (VLK-cmk)	2014-04-25	2014-09-03	Lin, S.J.,Dong, K.C.,Eigenbrot, C.,van Lookeren Campagne, M.,Kirchhofer, D.	Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.	Structure	2014	22	1333	1340	
4Q2O	25158098	PDLIM4 PDZ in Complex with a Phage-Derived Peptide	2014-04-09	2014-09-10	Ernst, A.,Appleton, B.A.,Ivarsson, Y.,Zhang, Y.,Gfeller, D.,Wiesmann, C.,Sidhu, S.S.	A structural portrait of the PDZ domain family.	J.Mol.Biol.	2014	426	3509	3519	
4Q2Q	25158098	ZO1 PDZ3 in Complex with a Phage-Derived Peptide	2014-04-09	2014-09-10	Ernst, A.,Appleton, B.A.,Ivarsson, Y.,Zhang, Y.,Gfeller, D.,Wiesmann, C.,Sidhu, S.S.	A structural portrait of the PDZ domain family.	J.Mol.Biol.	2014	426	3509	3519	
4U81	25193232	MEK1 Kinase bound to small molecule inhibitor G659	2014-07-31	2014-09-24	Robarge, K.D.,Lee, W.,Eigenbrot, C.,Ultsch, M.,Wiesmann, C.,Heald, R.,Price, S.,Hewitt, J.,Jackson, P.,Savy, P.,Burton, B.,Choo, E.F.,Pang, J.,Boggs, J.,Yang, A.,Yang, X.,Baumgardner, M.	Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.	Bioorg.Med.Chem.Lett.	2014	24	4714	4723	
4WB4	25231315	wt SA11 NSP4_CCD	2014-09-02	2014-09-24	Sastri, N.P.,Viskovska, M.,Hyser, J.M.,Tanner, M.R.,Horton, L.B.,Sankaran, B.,Prasad, B.V.,Estes, M.K.	Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.	J.Virol.	2014	88	13602	13612	
4WBA	25231315	Q/E mutant SA11 NSP4_CCD	2014-09-02	2014-09-24	Sastri, N.P.,Viskovska, M.,Hyser, J.M.,Tanner, M.R.,Horton, L.B.,Sankaran, B.,Prasad, B.V.,Estes, M.K.	Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.	J.Virol.	2014	88	13602	13612	
4WBS		Crystal structure of an ABC transporter related protein from Burkholderia phymatum	2014-09-03	2014-09-24	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Clifton, M.C.,Sankaran, B.,Lorimer, D.,Edwards, T.E.	Crystal structure of an ABC transporter related protein from Burkholderia phymatum	to be published	0	0	0	0	
4K41	25047814	Crystal structure of actin in complex with marine macrolide kabiramide C	2013-04-11	2014-10-01	Pereira, J.H.,Petchprayoon, C.,Hoepker, A.C.,Moriarty, N.W.,Fink, S.J.,Cecere, G.,Paterson, I.,Adams, P.D.,Marriott, G.	Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.	Chemmedchem	2014	9	2286	2293	
4K42	25047814	Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate]	2013-04-11	2014-10-01	Pereira, J.H.,Petchprayoon, C.,Hoepker, A.C.,Moriarty, N.W.,Fink, S.J.,Cecere, G.,Paterson, I.,Adams, P.D.,Marriott, G.	Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.	Chemmedchem	2014	9	2286	2293	
4K43	25047814	Crystal structure of actin in complex with synthetic AplC tail analogue GC04 [N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide]	2013-04-11	2014-10-01	Pereira, J.H.,Petchprayoon, C.,Hoepker, A.C.,Moriarty, N.W.,Fink, S.J.,Cecere, G.,Paterson, I.,Adams, P.D.,Marriott, G.	Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.	Chemmedchem	2014	9	2286	2293	
4LRN	25254371	Ontogeny of recognition specificity and functionality for the anti-HIV antibody 4E10	2013-07-20	2014-10-08	Finton, K.A.,Friend, D.,Jaffe, J.,Gewe, M.,Holmes, M.A.,Larman, H.B.,Stuart, A.,Larimore, K.,Greenberg, P.D.,Elledge, S.J.,Stamatatos, L.,Strong, R.K.	Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.	Plos Pathog.	2014	10	0	0	
4OB5	25254371	Ontogeny of recognition specificity and functionality for the broadly neutralizing anti-HIV antibody 4E10	2014-01-06	2014-10-08	Finton, K.A.,Friend, D.,Jaffe, J.,Gewe, M.,Holmes, M.A.,Larman, H.B.,Stuart, A.,Larimore, K.,Greenberg, P.D.,Elledge, S.J.,Stamatatos, L.,Strong, R.K.	Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.	Plos Pathog.	2014	10	0	0	
4WEC		Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis	2014-09-09	2014-10-08	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Abendroth, J.,Sankaran, B.,Dranow, D.M.,Lorimer, D.,Edwards, T.E.	Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis	to be published	0	0	0	0	
4KPZ	25262942	Hin GlmU bound to a small molecule fragment	2013-05-14	2014-10-15	Doig, P.,Boriack-Sjodin, P.A.,Dumas, J.,Hu, J.,Itoh, K.,Johnson, K.,Kazmirski, S.,Kinoshita, T.,Kuroda, S.,Sato, T.O.,Sugimoto, K.,Tohyama, K.,Aoi, H.,Wakamatsu, K.,Wang, H.	Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.	Bioorg.Med.Chem.	2014	22	6256	6269	
4W82	25301948	Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase	2014-08-22	2014-10-15	Sippel, K.H.,Vyas, N.K.,Zhang, W.,Sankaran, B.,Quiocho, F.A.	Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition.	J.Biol.Chem.	2014	289	33287	33295	
4POL		Crystal structures of thioredoxin with mesna at 2.8A resolution	2014-02-26	2014-10-29	Parker, A.R.,Nienaber, V.L.,Petluru, P.N.,Sridhar, V.,Leverett, B.D.,Ayala, P.Y.,Zhao, M.,Chie-Leon, B.,Jair, K.,Kochat, H.,Badger, J.,Hausheer, F.H.	BNP7787 Forms Novel Covalent  Adducts on Human Thioredoxin  and Modulates Thioredoxin  Activity	J Pharmacol Clin Toxicol	2014	2	1026	0	
4QX5	25271401	Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design	2014-07-18	2014-11-12	Huang, G.Y.,Gerlits, O.O.,Blakeley, M.P.,Sankaran, B.,Kovalevsky, A.Y.,Kim, C.	Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.	Biochemistry	2014	53	6725	6727	
4WSO		X-ray crystal structure of a nicotinate nucleotide adenylyltransferase from Burkholderia thailandensis bound to NAD	2014-10-28	2014-11-12	Seattle Structural Genomics Center for Infectious Disease (SSGCID),Fairman, J.W.,Abendroth, J.,Lorimer, D.,Edwards, T.E.	X-ray crystal structure of a nicotinate nucleotide adenylyltransferase from Burkholderia thailandensis bound to NAD	to be published	0	0	0	0	
4QM9	25307852	Crystal Structure of a Putative Cysteine Dioxygenase From Bacillus subtilis with Cys-bound	2014-06-15	2014-11-19	Driggers, C.M.,Hartman, S.J.,Karplus, P.A.	Structures of Arg- and Gln-type bacterial cysteine dioxygenase homologs.	Protein Sci.	2015	24	154	161	
4RJ3	25383627	CDK2 with EGFR inhibitor compound 8	2014-10-08	2014-11-26	Hanan, E.J.,Eigenbrot, C.,Bryan, M.C.,Burdick, D.J.,Chan, B.K.,Chen, Y.,Dotson, J.,Heald, R.A.,Jackson, P.S.,La, H.,Lainchbury, M.D.,Malek, S.,Purkey, H.E.,Schaefer, G.,Schmidt, S.,Seward, E.M.,Sideris, S.,Tam, C.,Wang, S.,Yeap, S.K.,Yen, I.,Yin, J.,Yu, C.,Zilberleyb, I.,Heffron, T.P.	Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.	J.Med.Chem.	2014	57	10176	10191	
4RJ4	25383627	EGFR kinase (T790M/L858R) with inhibitor compound 6	2014-10-08	2014-11-26	Hanan, E.J.,Eigenbrot, C.,Bryan, M.C.,Burdick, D.J.,Chan, B.K.,Chen, Y.,Dotson, J.,Heald, R.A.,Jackson, P.S.,La, H.,Lainchbury, M.D.,Malek, S.,Purkey, H.E.,Schaefer, G.,Schmidt, S.,Seward, E.M.,Sideris, S.,Tam, C.,Wang, S.,Yeap, S.K.,Yen, I.,Yin, J.,Yu, C.,Zilberleyb, I.,Heffron, T.P.	Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.	J.Med.Chem.	2014	57	10176	10191	
4RJ5	25383627	EGFR kinase (T790M/L858R) with inhibitor compound 5	2014-10-08	2014-11-26	Hanan, E.J.,Eigenbrot, C.,Bryan, M.C.,Burdick, D.J.,Chan, B.K.,Chen, Y.,Dotson, J.,Heald, R.A.,Jackson, P.S.,La, H.,Lainchbury, M.D.,Malek, S.,Purkey, H.E.,Schaefer, G.,Schmidt, S.,Seward, E.M.,Sideris, S.,Tam, C.,Wang, S.,Yeap, S.K.,Yen, I.,Yin, J.,Yu, C.,Zilberleyb, I.,Heffron, T.P.	Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.	J.Med.Chem.	2014	57	10176	10191	
4WT2	25384157	Co-crystal Structure of MDM2 in Complex with AM-7209	2014-10-30	2014-12-03	Rew, Y.,Sun, D.,Yan, X.,Beck, H.P.,Canon, J.,Chen, A.,Duquette, J.,Eksterowicz, J.,Fox, B.M.,Fu, J.,Gonzalez, A.Z.,Houze, J.,Huang, X.,Jiang, M.,Jin, L.,Li, Y.,Li, Z.,Ling, Y.,Lo, M.C.,Long, A.M.,McGee, L.R.,McIntosh, J.,Oliner, J.D.,Osgood, T.,Saiki, A.Y.,Shaffer, P.,Wang, Y.C.,Wortman, S.,Yakowec, P.,Ye, Q.,Yu, D.,Zhao, X.,Zhou, J.,Medina, J.C.,Olson, S.H.	Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.	J.Med.Chem.	2014	57	10499	10511	
4QYG	25453805	CHK1 kinase domain in complex with diazacarbazole compound 14	2014-07-24	2014-12-17	Gazzard, L.,Appleton, B.,Chapman, K.,Chen, H.,Clark, K.,Drobnick, J.,Goodacre, S.,Halladay, J.,Lyssikatos, J.,Schmidt, S.,Sideris, S.,Wiesmann, C.,Williams, K.,Wu, P.,Yen, I.,Malek, S.	Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.	Bioorg.Med.Chem.Lett.	2014	24	5704	5709	
4QYH	25453805	CHK1 kinase domain in complex with diazacarbazole GNE-783	2014-07-24	2014-12-17	Gazzard, L.,Appleton, B.,Chapman, K.,Chen, H.,Clark, K.,Drobnick, J.,Goodacre, S.,Halladay, J.,Lyssikatos, J.,Schmidt, S.,Sideris, S.,Wiesmann, C.,Williams, K.,Wu, P.,Yen, I.,Malek, S.	Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.	Bioorg.Med.Chem.Lett.	2014	24	5704	5709	
4TPP	25456383	2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors	2014-06-09	2014-12-17	Rzasa, R.M.,Frohn, M.J.,Andrews, K.L.,Chmait, S.,Chen, N.,Clarine, J.G.,Davis, C.,Eastwood, H.A.,Horne, D.B.,Hu, E.,Jones, A.D.,Kaller, M.R.,Kunz, R.K.,Miller, S.,Monenschein, H.,Nguyen, T.,Pickrell, A.J.,Porter, A.,Reichelt, A.,Zhao, X.,Treanor, J.J.,Allen, J.R.	Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.	Bioorg.Med.Chem.	2014	22	6570	6585	
4O04	24673104	Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease	2013-12-13	2014-12-24	Ernst, J.T.,Neubert, T.,Liu, M.,Sperry, S.,Zuccola, H.,Turnbull, A.,Fleck, B.,Kargo, W.,Woody, L.,Chiang, P.,Tran, D.,Chen, W.,Snyder, P.,Alcacio, T.,Nezami, A.,Reynolds, J.,Alvi, K.,Goulet, L.,Stamos, D.	Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.	J.Med.Chem.	2014	57	3382	3400	
4RCF	25389560	Crystal structure of BACE1 in complex with 2-aminooxazoline 4-fluoroxanthene inhibitor 49	2014-09-15	2014-12-24	Epstein, O.,Bryan, M.C.,Cheng, A.C.,Derakhchan, K.,Dineen, T.A.,Hickman, D.,Hua, Z.,Human, J.B.,Kreiman, C.,Marx, I.E.,Weiss, M.M.,Wahl, R.C.,Wen, P.H.,Whittington, D.A.,Wood, S.,Zheng, X.M.,Fremeau, R.T.,White, R.D.,Patel, V.F.	Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.	J.Med.Chem.	2014	57	9796	9810	
4PM5	25489790	Crystal structure of CTX-M-14 S70G beta-lactamase in complex with cefotaxime at 1.26 Angstroms resolution	2014-05-20	2014-12-31	Adamski, C.J.,Cardenas, A.M.,Brown, N.G.,Horton, L.B.,Sankaran, B.,Prasad, B.V.,Gilbert, H.F.,Palzkill, T.	Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.	Biochemistry	2015	54	447	457	
4PM7	25489790	Crystal structure of CTX-M-14 S70G:S237A in complex with cefotaxime at 1.29 Angstroms resolution	2014-05-20	2014-12-31	Adamski, C.J.,Cardenas, A.M.,Brown, N.G.,Horton, L.B.,Sankaran, B.,Prasad, B.V.,Gilbert, H.F.,Palzkill, T.	Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.	Biochemistry	2015	54	447	457	
4PM8	25489790	Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution	2014-05-20	2014-12-31	Adamski, C.J.,Cardenas, A.M.,Brown, N.G.,Horton, L.B.,Sankaran, B.,Prasad, B.V.,Gilbert, H.F.,Palzkill, T.	Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.	Biochemistry	2015	54	447	457	
4PM9	25489790	Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase in complex with cefotaxime at 1.45 Angstroms resolution	2014-05-20	2014-12-31	Adamski, C.J.,Cardenas, A.M.,Brown, N.G.,Horton, L.B.,Sankaran, B.,Prasad, B.V.,Gilbert, H.F.,Palzkill, T.	Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.	Biochemistry	2015	54	447	457	
4PMA	25489790	Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase at 1.39 Angstroms resolution	2014-05-20	2014-12-31	Adamski, C.J.,Cardenas, A.M.,Brown, N.G.,Horton, L.B.,Sankaran, B.,Prasad, B.V.,Gilbert, H.F.,Palzkill, T.	Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.	Biochemistry	2015	54	447	457	
4R5C	25580576	Crystal structure of computational designed leucine rich repeats DLRR_E in space group of P212121	2014-08-21	2015-01-07	Park, K.,Shen, B.W.,Parmeggiani, F.,Huang, P.S.,Stoddard, B.L.,Baker, D.	Control of repeat-protein curvature by computational protein design.	Nat.Struct.Mol.Biol.	2015	22	167	174	
4R6J	25580576	Crystal structure of computaional designed Lucine rich repeats DLRR_H in space group P212121	2014-08-25	2015-01-07	Park, K.,Shen, B.W.,Parmeggiani, F.,Huang, P.S.,Stoddard, B.L.,Baker, D.	Control of repeat-protein curvature by computational protein design.	Nat.Struct.Mol.Biol.	2015	22	167	174	
4XGH		X-ray Crystal Structure of Citrate Synthase from Burkholderia thailandensis	2014-12-30	2015-01-14	Fairman, J.W.,Lukacs, C.M.,Lorimer, D.,Edwards, T.E.	X-ray Crystal Structure of Citrate Synthase from Burkholderia thailandensis	to be published	0	0	0	0	
4OTF	25701252	Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834	2014-02-13	2015-01-28	Young, W.B.,Barbosa, J.,Blomgren, P.,Bremer, M.C.,Crawford, J.J.,Dambach, D.,Gallion, S.,Hymowitz, S.G.,Kropf, J.E.,Lee, S.H.,Liu, L.,Lubach, J.W.,Macaluso, J.,Maciejewski, P.,Maurer, B.,Mitchell, S.A.,Ortwine, D.F.,Di Paolo, J.,Reif, K.,Scheerens, H.,Schmitt, A.,Sowell, C.G.,Wang, X.,Wong, H.,Xiong, J.M.,Xu, J.,Zhao, Z.,Currie, K.S.	Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.	Bioorg.Med.Chem.Lett.	2015	25	1333	1337	
4OUD	25607366	Engineered tyrosyl-tRNA synthetase with the nonstandard amino acid L-4,4-biphenylalanine	2014-02-16	2015-01-28	Mandell, D.J.,Lajoie, M.J.,Mee, M.T.,Takeuchi, R.,Kuznetsov, G.,Norville, J.E.,Gregg, C.J.,Stoddard, B.L.,Church, G.M.	Biocontainment of genetically modified organisms by synthetic protein design.	Nature	2015	518	55	60	
4RUI	25585967	Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.	2014-11-19	2015-01-28	Shah, M.B.,Wilderman, P.R.,Liu, J.,Jang, H.H.,Zhang, Q.,Stout, C.D.,Halpert, J.R.	Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.	Mol.Pharmacol.	2015	87	649	659	
4X0E	25631047	Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase	2014-11-21	2015-01-28	Rodionova, I.A.,Zuccola, H.J.,Sorci, L.,Aleshin, A.E.,Kazanov, M.D.,Ma, C.T.,Sergienko, E.,Rubin, E.J.,Locher, C.P.,Osterman, A.L.	Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.	J. Biol. Chem.	2015	290	7693	7706	
4X7K	25587754	Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor	2014-12-09	2015-01-28	Smith, A.L.,Andrews, K.L.,Beckmann, H.,Bellon, S.F.,Beltran, P.J.,Booker, S.,Chen, H.,Chung, Y.A.,D'Angelo, N.D.,Dao, J.,Dellamaggiore, K.R.,Jaeckel, P.,Kendall, R.,Labitzke, K.,Long, A.M.,Materna-Reichelt, S.,Mitchell, P.,Norman, M.H.,Powers, D.,Rose, M.,Shaffer, P.L.,Wu, M.M.,Lipford, J.R.	Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).	J.Med.Chem.	2015	58	1426	1441	
4X7L	25587754	Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor	2014-12-09	2015-01-28	Smith, A.L.,Andrews, K.L.,Beckmann, H.,Bellon, S.F.,Beltran, P.J.,Booker, S.,Chen, H.,Chung, Y.A.,D'Angelo, N.D.,Dao, J.,Dellamaggiore, K.R.,Jaeckel, P.,Kendall, R.,Labitzke, K.,Long, A.M.,Materna-Reichelt, S.,Mitchell, P.,Norman, M.H.,Powers, D.,Rose, M.,Shaffer, P.L.,Wu, M.M.,Lipford, J.R.	Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).	J.Med.Chem.	2015	58	1426	1441	
4OJ4		Crystal structure of V290M PPARgamma mutant in complex with diclofenac	2014-01-20	2015-02-04	Puhl, A.C.,Bernardes, A.,Polikarpov, I.,Webb, P.	Crystal structure of a PPAR ligand-resistance syndrome mutant	To be Published	0	0	0	0	
4XE0	25631052	Idelalisib bound to the p110 subunit of PI3K delta	2014-12-20	2015-02-04	Somoza, J.R.,Koditek, D.,Villasenor, A.G.,Novikov, N.,Wong, M.H.,Liclican, A.,Xing, W.,Lagpacan, L.,Wang, R.,Schultz, B.E.,Papalia, G.A.,Samuel, D.,Lad, L.,McGrath, M.E.	Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta.	J.Biol.Chem.	2015	290	8439	8446	
4TT7	25678804	Crystal structure of human ALK with a covalent modification	2014-06-19	2015-02-11	Parker, A.R.,Petluru, P.N.,Nienaber, V.L.,Zhao, M.,Ayala, P.Y.,Badger, J.,Chie-Leon, B.,Sridhar, V.,Logan, C.,Kochat, H.,Hausheer, F.H.	Novel covalent modification of human anaplastic lymphoma kinase (ALK) and potentiation of crizotinib-mediated inhibition of ALK activity by BNP7787.	Onco Targets Ther	2015	8	375	383	
4RVA	25713062	A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation	2014-11-25	2015-03-04	Stojanoski, V.,Chow, D.C.,Hu, L.,Sankaran, B.,Gilbert, H.F.,Prasad, B.V.,Palzkill, T.	A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.	J.Biol.Chem.	2015	290	10382	10394	
4RX2	25713062	A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis	2014-12-08	2015-03-04	Stojanoski, V.,Chow, D.C.,Hu, L.,Sankaran, B.,Gilbert, H.F.,Prasad, B.V.,Palzkill, T.	A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.	J.Biol.Chem.	2015	290	10382	10394	
4RX3	25713062	A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis	2014-12-08	2015-03-04	Stojanoski, V.,Chow, D.C.,Hu, L.,Sankaran, B.,Gilbert, H.F.,Prasad, B.V.,Palzkill, T.	A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.	J.Biol.Chem.	2015	290	10382	10394	
4XIP	25677667	Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors	2015-01-07	2015-03-04	Neubert, T.,Numa, M.,Ernst, J.,Clemens, J.,Krenitsky, P.,Liu, M.,Fleck, B.,Woody, L.,Zuccola, H.,Stamos, D.	Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.	Bioorg.Med.Chem.Lett.	2015	25	1338	1342	
4XIQ	25677667	Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors	2015-01-07	2015-03-04	Neubert, T.,Numa, M.,Ernst, J.,Clemens, J.,Krenitsky, P.,Liu, M.,Fleck, B.,Woody, L.,Zuccola, H.,Stamos, D.	Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.	Bioorg.Med.Chem.Lett.	2015	25	1338	1342	
4XIT	25677667	Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors	2015-01-07	2015-03-04	Neubert, T.,Numa, M.,Ernst, J.,Clemens, J.,Krenitsky, P.,Liu, M.,Fleck, B.,Woody, L.,Zuccola, H.,Stamos, D.	Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.	Bioorg.Med.Chem.Lett.	2015	25	1338	1342	
4QPZ	25775555	Crystal structure of the formolase FLS_v2 in space group P 21	2014-06-25	2015-03-11	Siegel, J.B.,Smith, A.L.,Poust, S.,Wargacki, A.J.,Bar-Even, A.,Louw, C.,Shen, B.W.,Eiben, C.B.,Tran, H.M.,Noor, E.,Gallaher, J.L.,Bale, J.,Yoshikuni, Y.,Gelb, M.H.,Keasling, J.D.,Stoddard, B.L.,Lidstrom, M.E.,Baker, D.	Computational protein design enables a novel one-carbon assimilation pathway.	Proc.Natl.Acad.Sci.USA	2015	112	3704	3709	
4OLF		Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase)from Plasmodium falciparum in complex with Halofuginone and AMPPNP	2014-01-23	2015-04-15	Dranow, D.M.,Edwards, T.E.,Lorimer, D.,Seattle Structural Genomics Center for Infectious Disease	Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase)from Plasmodium falciparum in complex with Halofuginone and AMPPNP	To be Published	0	0	0	0	
4YD0	25827523	Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor	2015-02-20	2015-04-15	Boyd, M.J.,Bandarage, U.K.,Bennett, H.,Byrn, R.R.,Davies, I.,Gu, W.,Jacobs, M.,Ledeboer, M.W.,Ledford, B.,Leeman, J.R.,Perola, E.,Wang, T.,Bennani, Y.,Clark, M.P.,Charifson, P.S.	Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.	Bioorg.Med.Chem.Lett.	2015	25	1990	1994	
4WV9		Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane	2014-11-04	2015-04-22	Talley, T.T.	Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound.	To Be Published	0	0	0	0	
4RPT	25878106	The 1.35A structure of a viral RNase L antagonist reveals basis for the 2'-5'-oligoadenylate binding and enzyme activity.	2014-10-31	2015-04-29	Ogden, K.M.,Hu, L.,Jha, B.K.,Sankaran, B.,Weiss, S.R.,Silverman, R.H.,Patton, J.T.,Prasad, B.V.	Structural basis for 2'-5'-oligoadenylate binding and enzyme activity of a viral RNase L antagonist.	J.Virol.	2015	89	6633	6645	
4YE2	25878106	The 1.35 structure of a viral RNase L antagonist reveals basis for the 2'-5'-oligoadenylate binding and enzyme activity.	2015-02-23	2015-04-29	Ogden, K.M.,Hu, L.,Jha, B.K.,Sankaran, B.,Weiss, S.R.,Silverman, R.H.,Patton, J.T.,Prasad, B.V.	Structural basis for 2'-5'-oligoadenylate binding and enzyme activity of a viral RNase L antagonist.	J.Virol.	2015	89	6633	6645	
4QFV	25627011	Crystal structure of a unique ankyrin	2014-05-21	2015-05-06	Tikhonova, E.B.,Ethayathulla, A.S.,Su, Y.,Hariharan, P.,Xie, S.,Guan, L.	A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen.	Sci Rep	2015	5	8070	8070	
4YOO	25917549	p107 pocket domain in complex with LIN52 P29A peptide	2015-03-12	2015-05-13	Guiley, K.Z.,Liban, T.J.,Felthousen, J.G.,Ramanan, P.,Litovchick, L.,Rubin, S.M.	Structural mechanisms of DREAM complex assembly and regulation.	Genes Dev.	2015	29	961	974	
5BML	26039570	ROCK 1 bound to a pyridine thiazole inhibitor	2015-05-22	2015-06-10	Green, J.,Cao, J.,Bandarage, U.K.,Gao, H.,Court, J.,Marhefka, C.,Jacobs, M.,Taslimi, P.,Newsome, D.,Nakayama, T.,Shah, S.,Rodems, S.	Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.	J.Med.Chem.	2015	58	5028	5037	
4QGU	26246511	protein domain complex with ssDNA	2014-05-25	2015-06-17	Ni, X.,Ru, H.,Ma, F.,Zhao, L.,Shaw, N.,Feng, Y.,Ding, W.,Gong, W.,Wang, Q.,Ouyang, S.,Cheng, G.,Liu, Z.J.	New insights into the structural basis of DNA recognition by HINa and HINb domains of IFI16.	J Mol Cell Biol	2016	8	51	61	
4YLR	25959773	Tubulin Glutamylase	2015-03-05	2015-06-17	Garnham, C.P.,Vemu, A.,Wilson-Kubalek, E.M.,Yu, I.,Szyk, A.,Lander, G.C.,Milligan, R.A.,Roll-Mecak, A.	Multivalent Microtubule Recognition by Tubulin Tyrosine Ligase-like Family Glutamylases.	Cell	2015	161	1112	1123	
4ZY6	26030457	Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29	2015-05-21	2015-07-01	Crawford, J.J.,Lee, W.,Aliagas, I.,Mathieu, S.,Hoeflich, K.P.,Zhou, W.,Wang, W.,Rouge, L.,Murray, L.,La, H.,Liu, N.,Fan, P.W.,Cheong, J.,Heise, C.E.,Ramaswamy, S.,Mintzer, R.,Liu, Y.,Chao, Q.,Rudolph, J.	Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.	J.Med.Chem.	2015	58	5121	5136	
4R0L	25988188	Anti-canine CD28 antibody, 1C6, bound canine CD28	2014-07-31	2015-07-08	Rosinski, S.L.,Storb, R.,Strong, R.K.,Sale, G.E.,Stone, D.M.,Gewe, M.M.,Friend, D.J.,Abrams, V.K.,Randolph-Habecker, J.,Graves, S.S.	Anti-CD28 Antibody-Initiated Cytokine Storm in Canines.	Transplant Direct	2015	1	0	0	
4ZNI	26150523	Thermus Phage P74-26 Large Terminase ATPase domain (I 2 3 space group)	2015-05-04	2015-07-08	Hilbert, B.J.,Hayes, J.A.,Stone, N.P.,Duffy, C.M.,Sankaran, B.,Kelch, B.A.	Structure and mechanism of the ATPase that powers viral genome packaging.	Proc.Natl.Acad.Sci.USA	2015	112	0	0	
4WXX	26070743	The crystal structure of human DNMT1(351-1600)	2014-11-14	2015-07-15	Zhang, Z.M.,Liu, S.,Lin, K.,Luo, Y.,Perry, J.J.,Wang, Y.,Song, J.	Crystal Structure of Human DNA Methyltransferase 1.	J.Mol.Biol.	2015	427	2520	2531	
5BUE	26144345	ERK2 complexed with N-benzylpyridone tetrahydroazaindazole	2015-06-03	2015-07-15	Bagdanoff, J.T.,Jain, R.,Han, W.,Poon, D.,Lee, P.S.,Bellamacina, C.,Lindvall, M.	Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.	Bioorg.Med.Chem.Lett.	2015	25	3626	3629	
4S2L	25938261	Crystal Structure of OXA-163 beta-lactamase	2015-01-21	2015-07-22	Stojanoski, V.,Chow, D.C.,Fryszczyn, B.,Hu, L.,Nordmann, P.,Poirel, L.,Sankaran, B.,Prasad, B.V.,Palzkill, T.	Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.	Biochemistry	2015	54	3370	3380	
4ZCM	26163516	Crystal Structure of Escherichia coli GTPase BipA/TypA Complexed with ppGpp	2015-04-16	2015-07-29	Fan, H.,Hahm, J.,Diggs, S.,Perry, J.J.,Blaha, G.	Structural and Functional Analysis of BipA, a Regulator of Virulence in Enteropathogenic Escherichia coli.	J.Biol.Chem.	2015	290	20856	20864	
4ZHC	26240330	Siderocalin-mediated recognition and cellular uptake of actinides	2015-04-24	2015-08-05	Allred, B.E.,Rupert, P.B.,Gauny, S.S.,An, D.D.,Ralston, C.Y.,Sturzbecher-Hoehne, M.,Strong, R.K.,Abergel, R.J.	Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.	Proc.Natl.Acad.Sci.USA	2015	112	10342	10347	
4ZHH	26240330	Siderocalin-mediated recognition and cellular uptake of actinides	2015-04-24	2015-08-05	Allred, B.E.,Rupert, P.B.,Gauny, S.S.,An, D.D.,Ralston, C.Y.,Sturzbecher-Hoehne, M.,Strong, R.K.,Abergel, R.J.	Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.	Proc.Natl.Acad.Sci.USA	2015	112	10342	10347	
4YTC	26230873	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease	2015-03-17	2015-08-12	Farmer, L.J.,Ledeboer, M.W.,Hoock, T.,Arnost, M.J.,Bethiel, R.S.,Bennani, Y.L.,Black, J.J.,Brummel, C.L.,Chakilam, A.,Dorsch, W.A.,Fan, B.,Cochran, J.E.,Halas, S.,Harrington, E.M.,Hogan, J.K.,Howe, D.,Huang, H.,Jacobs, D.H.,Laitinen, L.M.,Liao, S.,Mahajan, S.,Marone, V.,Martinez-Botella, G.,McCarthy, P.,Messersmith, D.,Namchuk, M.,Oh, L.,Penney, M.S.,Pierce, A.C.,Raybuck, S.A.,Rugg, A.,Salituro, F.G.,Saxena, K.,Shannon, D.,Shlyakter, D.,Swenson, L.,Tian, S.K.,Town, C.,Wang, J.,Wang, T.,Wannamaker, M.W.,Winquist, R.J.,Zuccola, H.J.	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.	J.Med.Chem.	2015	58	7195	7216	
5CL1	26227961	Complex structure of Norrin with human Frizzled 4	2015-07-16	2015-08-12	Shen, G.,Ke, J.,Wang, Z.,Cheng, Z.,Gu, X.,Wei, Y.,Melcher, K.,Xu, H.E.,Xu, W.	Structural basis of the Norrin-Frizzled 4 interaction.	Cell Res.	2015	25	1078	1081	
5D9K	26270416	Rsk2 N-terminal Kinase in Complex with BI-D1870	2015-08-18	2015-09-02	Jain, R.,Mathur, M.,Lan, J.,Costales, A.,Atallah, G.,Ramurthy, S.,Subramanian, S.,Setti, L.,Feucht, P.,Warne, B.,Doyle, L.,Basham, S.,Jefferson, A.B.,Lindvall, M.,Appleton, B.A.,Shafer, C.M.	Discovery of Potent and Selective RSK Inhibitors as Biological Probes.	J.Med.Chem.	2015	58	6766	6783	
5D9L	26270416	Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole	2015-08-18	2015-09-02	Jain, R.,Mathur, M.,Lan, J.,Costales, A.,Atallah, G.,Ramurthy, S.,Subramanian, S.,Setti, L.,Feucht, P.,Warne, B.,Doyle, L.,Basham, S.,Jefferson, A.B.,Lindvall, M.,Appleton, B.A.,Shafer, C.M.	Discovery of Potent and Selective RSK Inhibitors as Biological Probes.	J.Med.Chem.	2015	58	6766	6783	
5BVF	26259804	Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase	2015-06-05	2015-09-09	Bagdanoff, J.T.,Jain, R.,Han, W.,Zhu, S.,Madiera, A.M.,Lee, P.S.,Ma, X.,Poon, D.	Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.	Bioorg.Med.Chem.Lett.	2015	25	3788	3792	
4QP2	26338362	Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine	2014-06-22	2015-09-23	Burdick, D.J.,Wang, S.,Heise, C.,Pan, B.,Drummond, J.,Yin, J.,Goeser, L.,Magnuson, S.,Blaney, J.,Moffat, J.,Wang, W.,Chen, H.	Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.	Bioorg.Med.Chem.Lett.	2015	25	4728	4732	
4QP3	26338362	Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol	2014-06-22	2015-09-23	Burdick, D.J.,Wang, S.,Heise, C.,Pan, B.,Drummond, J.,Yin, J.,Goeser, L.,Magnuson, S.,Blaney, J.,Moffat, J.,Wang, W.,Chen, H.	Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.	Bioorg.Med.Chem.Lett.	2015	25	4728	4732	
4R4L	26132214	Crystal structure of wt cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper	2014-08-19	2015-09-23	Qin, L.,Reger, A.S.,Guo, E.,Yang, M.P.,Zwart, P.,Casteel, D.E.,Kim, C.	Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.	Biochemistry	2015	54	4419	4422	
4YFW	26420502	Structural basis of glycan recognition in neonate-specific rotaviruses	2015-02-25	2015-09-30	Hu, L.,Ramani, S.,Czako, R.,Sankaran, B.,Yu, Y.,Smith, D.F.,Cummings, R.D.,Estes, M.K.,Venkataram Prasad, B.V.	Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.	Nat Commun	2015	6	8346	8346	
4YFZ	26420502	Structural basis of glycan recognition in neonate-specific rotaviruses	2015-02-25	2015-09-30	Hu, L.,Ramani, S.,Czako, R.,Sankaran, B.,Yu, Y.,Smith, D.F.,Cummings, R.D.,Estes, M.K.,Venkataram Prasad, B.V.	Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.	Nat Commun	2015	6	8346	8346	
4YG0	26420502	Structural basis of glycan recognition in neonate-specific rotaviruses	2015-02-25	2015-09-30	Hu, L.,Ramani, S.,Czako, R.,Sankaran, B.,Yu, Y.,Smith, D.F.,Cummings, R.D.,Estes, M.K.,Venkataram Prasad, B.V.	Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.	Nat Commun	2015	6	8346	8346	
4YG3	26420502	Structural basis of glycan recognition in neonate-specific rotaviruses	2015-02-25	2015-09-30	Hu, L.,Ramani, S.,Czako, R.,Sankaran, B.,Yu, Y.,Smith, D.F.,Cummings, R.D.,Estes, M.K.,Venkataram Prasad, B.V.	Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.	Nat Commun	2015	6	8346	8346	
4YG6	26420502	Structural basis of glycan recognition in neonate-specific rotaviruses	2015-02-25	2015-09-30	Hu, L.,Ramani, S.,Czako, R.,Sankaran, B.,Yu, Y.,Smith, D.F.,Cummings, R.D.,Estes, M.K.,Venkataram Prasad, B.V.	Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.	Nat Commun	2015	6	8346	8346	
5C9H	26436828	Structural Basis of Template Boundary Definition in Tetrahymena Telomerase	2015-06-26	2015-10-14	Jansson, L.I.,Akiyama, B.M.,Ooms, A.,Lu, C.,Rubin, S.M.,Stone, M.D.	Structural basis of template-boundary definition in Tetrahymena telomerase.	Nat.Struct.Mol.Biol.	2015	22	883	888	
5CEN	26431428	Crystal structure of DLK (kinase domain)	2015-07-07	2015-10-14	Patel, S.,Harris, S.F.,Gibbons, P.,Deshmukh, G.,Gustafson, A.,Kellar, T.,Lin, H.,Liu, X.,Liu, Y.,Liu, Y.,Ma, C.,Scearce-Levie, K.,Ghosh, A.S.,Shin, Y.G.,Solanoy, H.,Wang, J.,Wang, B.,Yin, J.,Siu, M.,Lewcock, J.W.	Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).	J.Med.Chem.	2015	58	8182	8199	
5CEQ	26431428	DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile	2015-07-07	2015-10-14	Patel, S.,Harris, S.F.,Gibbons, P.,Deshmukh, G.,Gustafson, A.,Kellar, T.,Lin, H.,Liu, X.,Liu, Y.,Liu, Y.,Ma, C.,Scearce-Levie, K.,Ghosh, A.S.,Shin, Y.G.,Solanoy, H.,Wang, J.,Wang, B.,Yin, J.,Siu, M.,Lewcock, J.W.	Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).	J.Med.Chem.	2015	58	8182	8199	
5C8K	26455919	EGFR kinase domain mutant ""TMLR"" with compound 1	2015-06-25	2015-10-28	Heald, R.,Bowman, K.K.,Bryan, M.C.,Burdick, D.,Chan, B.,Chan, E.,Chen, Y.,Clausen, S.,Dominguez-Fernandez, B.,Eigenbrot, C.,Elliott, R.,Hanan, E.J.,Jackson, P.,Knight, J.,La, H.,Lainchbury, M.,Malek, S.,Mann, S.,Merchant, M.,Mortara, K.,Purkey, H.,Schaefer, G.,Schmidt, S.,Seward, E.,Sideris, S.,Shao, L.,Wang, S.,Yeap, K.,Yen, I.,Yu, C.,Heffron, T.P.	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.	J.Med.Chem.	2015	58	8877	8895	
4Z3T	26627237	Meningococcal Factor H binding protein mutant L130R/G133D	2015-03-31	2015-11-04	Konar, M.,Pajon, R.,Beernink, P.T.	A meningococcal vaccine antigen engineered to increase thermal stability and stabilize protective epitopes.	Proc.Natl.Acad.Sci.USA	2015	112	14823	14828	
5DWR	26505898	Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies	2015-09-22	2015-11-11	Burger, M.T.,Nishiguchi, G.,Han, W.,Lan, J.,Simmons, R.,Atallah, G.,Ding, Y.,Tamez, V.,Zhang, Y.,Mathur, M.,Muller, K.,Bellamacina, C.,Lindvall, M.K.,Zang, R.,Huh, K.,Feucht, P.,Zavorotinskaya, T.,Dai, Y.,Basham, S.,Chan, J.,Ginn, E.,Aycinena, A.,Holash, J.,Castillo, J.,Langowski, J.L.,Wang, Y.,Chen, M.Y.,Lambert, A.,Fritsch, C.,Kauffmann, A.,Pfister, E.,Vanasse, K.G.,Garcia, P.D.	Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.	J.Med.Chem.	2015	58	8373	8386	
4RL5	26607451	Crystal structure of the Arabidopsis exocyst subunit exo70 family protein A1	2014-10-15	2015-11-25	Zhang, C.,Brown, M.Q.,van de Ven, W.,Zhang, Z.M.,Wu, B.,Young, M.C.,Synek, L.,Borchardt, D.,Harrison, R.,Pan, S.,Luo, N.,Huang, Y.M.,Ghang, Y.J.,Ung, N.,Li, R.,Isley, J.,Morikis, D.,Song, J.,Guo, W.,Hooley, R.J.,Chang, C.E.,Yang, Z.,Zarsky, V.,Muday, G.K.,Hicks, G.R.,Raikhel, N.V.	Endosidin2 targets conserved exocyst complex subunit EXO70 to inhibit exocytosis.	Proc.Natl.Acad.Sci.USA	2016	113	0	0	
4Y0E		X-ray Crystal Structure of a putative dioxygenase from Mycobacterium abscessus	2015-02-06	2015-11-25	Fairman, J.W.,Abendroth, J.,Lorimer, D.,Edwards, T.E.,SSGCID	X-ray Crystal Structure of a putative dioxygenase from Mycobacterium abscessus	to be published	0	0	0	0	
5EJ2	28120876	Crystal structure of Carveol dehydrogenase from Mycobacterium avium in complex with NAD	2015-10-31	2015-12-02	Haft, D.H.,Pierce, P.G.,Mayclin, S.J.,Sullivan, A.,Gardberg, A.S.,Abendroth, J.,Begley, D.W.,Phan, I.Q.,Staker, B.L.,Myler, P.J.,Marathias, V.M.,Lorimer, D.D.,Edwards, T.E.	Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.	Sci Rep	2017	7	41074	41074	
5EA4	26641933	Crystal Structure of Inhibitor JNJ-49153390 in Complex with Prefusion RSV F Glycoprotein	2015-10-15	2015-12-09	Battles, M.B.,Langedijk, J.P.,Furmanova-Hollenstein, P.,Chaiwatpongsakorn, S.,Costello, H.M.,Kwanten, L.,Vranckx, L.,Vink, P.,Jaensch, S.,Jonckers, T.H.,Koul, A.,Arnoult, E.,Peeples, M.E.,Roymans, D.,McLellan, J.S.	Molecular mechanism of respiratory syncytial virus fusion inhibitors.	Nat.Chem.Biol.	2016	12	87	93	
5EA5	26641933	Crystal Structure of Inhibitor TMC-353121 in Complex with Prefusion RSV F Glycoprotein	2015-10-15	2015-12-09	Battles, M.B.,Langedijk, J.P.,Furmanova-Hollenstein, P.,Chaiwatpongsakorn, S.,Costello, H.M.,Kwanten, L.,Vranckx, L.,Vink, P.,Jaensch, S.,Jonckers, T.H.,Koul, A.,Arnoult, E.,Peeples, M.E.,Roymans, D.,McLellan, J.S.	Molecular mechanism of respiratory syncytial virus fusion inhibitors.	Nat.Chem.Biol.	2016	12	87	93	
5BV8	26677223	G1324S mutation in von Willebrand Factor A1 domain	2015-06-04	2015-12-23	Tischer, A.,Campbell, J.C.,Machha, V.R.,Moon-Tasson, L.,Benson, L.M.,Sankaran, B.,Kim, C.,Auton, M.	Mutational Constraints on Local Unfolding Inhibit the Rheological Adaptation of von Willebrand Factor.	J.Biol.Chem.	2016	291	3848	3859	
5EWN	26656707	Crystal structure of the human astrovirus 1 capsid protein core domain at 2.6 A resolution	2015-11-20	2015-12-23	York, R.L.,Yousefi, P.A.,Bogdanoff, W.,Haile, S.,Tripathi, S.,DuBois, R.M.	Structural, Mechanistic, and Antigenic Characterization of the Human Astrovirus Capsid.	J.Virol.	2015	90	2254	2263	
5EM6	26819674	EGFR kinase domain mutant ""TMLR"" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide	2015-11-05	2015-12-30	Bryan, M.C.,Burdick, D.J.,Chan, B.K.,Chen, Y.,Clausen, S.,Dotson, J.,Eigenbrot, C.,Elliott, R.,Hanan, E.J.,Heald, R.,Jackson, P.,La, H.,Lainchbury, M.,Malek, S.,Mann, S.E.,Purkey, H.E.,Schaefer, G.,Schmidt, S.,Seward, E.,Sideris, S.,Wang, S.,Yen, I.,Yu, C.,Heffron, T.P.	Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.	Acs Med.Chem.Lett.	2016	7	100	104	
4U41		MAP4K4 Bound to inhibitor compound 1	2014-07-23	2016-01-06	Wu, P.,Chen, H.,Coons, M.,Crawford, T.D.,Kirkpatrick, D.S.,Murray, L.,Ndubaku, C.O.,Nonomiya, J.,Pham, V.,Schmidt, S.,Smysczek, T.,Vitorino, P.,Ye, W.,Harris, S.F.	Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures	to be published	0	0	0	0	
5E5S	26705195	I-SmaMI K103A mutant	2015-10-09	2016-01-13	Shen, B.W.,Lambert, A.,Walker, B.C.,Stoddard, B.L.,Kaiser, B.K.	The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.	J.Mol.Biol.	2016	428	206	220	
5F2E	26739882	Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C	2015-12-01	2016-01-13	Patricelli, M.P.,Janes, M.R.,Li, L.S.,Hansen, R.,Peters, U.,Kessler, L.V.,Chen, Y.,Kucharski, J.M.,Feng, J.,Ely, T.,Chen, J.H.,Firdaus, S.J.,Babbar, A.,Ren, P.,Liu, Y.	Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.	Cancer Discov	2016	6	316	329	
4XRA	28375740	Salmonella typhimurium AhpC T43S mutant	2015-01-20	2016-01-20	Nelson, K.J.,Perkins, A.,Van Swearingen, A.E.D.,Hartman, S.,Brereton, A.E.,Parsonage, D.,Salsbury Jr., F.R.,Karplus, P.A.,Poole, L.B.	Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.	Antioxid.Redox Signal.	2018	28	521	536	
5BV6	26769964	PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP	2015-06-04	2016-01-20	Campbell, J.C.,Kim, J.J.,Li, K.Y.,Huang, G.Y.,Reger, A.S.,Matsuda, S.,Sankaran, B.,Link, T.M.,Yuasa, K.,Ladbury, J.E.,Casteel, D.E.,Kim, C.	Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.	J.Biol.Chem.	2016	291	5623	5633	
5C8W	26769964	PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cGMP	2015-06-26	2016-01-20	Campbell, J.C.,Kim, J.J.,Li, K.Y.,Huang, G.Y.,Reger, A.S.,Matsuda, S.,Sankaran, B.,Link, T.M.,Yuasa, K.,Ladbury, J.E.,Casteel, D.E.,Kim, C.	Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.	J.Biol.Chem.	2016	291	5623	5633	
4XS1	28375740	Salmonella typhimurium AhpC T43V mutant	2015-01-21	2016-01-27	Nelson, K.J.,Perkins, A.,Van Swearingen, A.E.D.,Hartman, S.,Brereton, A.E.,Parsonage, D.,Salsbury Jr., F.R.,Karplus, P.A.,Poole, L.B.	Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.	Antioxid.Redox Signal.	2018	28	521	536	
4XS4	28375740	Salmonella typhimurium AhpC C165S mutant	2015-01-21	2016-01-27	Nelson, K.J.,Perkins, A.,Van Swearingen, A.E.D.,Hartman, S.,Brereton, A.E.,Parsonage, D.,Salsbury Jr., F.R.,Karplus, P.A.,Poole, L.B.	Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.	Antioxid.Redox Signal.	2018	28	521	536	
4XS6	28375740	Salmonella typhimurium AhpC W81F mutant	2015-01-21	2016-01-27	Nelson, K.J.,Perkins, A.,Van Swearingen, A.E.D.,Hartman, S.,Brereton, A.E.,Parsonage, D.,Salsbury Jr., F.R.,Karplus, P.A.,Poole, L.B.	Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.	Antioxid.Redox Signal.	2018	28	521	536	
4XTS	28375740	Salmonella typhimurium AhpC T43A mutant	2015-01-24	2016-01-27	Nelson, K.J.,Perkins, A.,Van Swearingen, A.E.D.,Hartman, S.,Brereton, A.E.,Parsonage, D.,Salsbury Jr., F.R.,Karplus, P.A.,Poole, L.B.	Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.	Antioxid.Redox Signal.	2018	28	521	536	
5EXH	26774490	Crystal structure of mTET3-CXXC domain in complex with 5-carboxylcytosine DNA at 1.3 Angstroms resolution.	2015-11-23	2016-02-03	Jin, S.G.,Zhang, Z.M.,Dunwell, T.L.,Harter, M.R.,Wu, X.,Johnson, J.,Li, Z.,Liu, J.,Szabo, P.E.,Lu, Q.,Xu, G.L.,Song, J.,Pfeifer, G.P.	Tet3 Reads 5-Carboxylcytosine through Its CXXC Domain and Is a Potential Guardian against Neurodegeneration.	Cell Rep	2016	14	493	505	
5F9G		pnGFP1.5-Y.Cro: circularly permuted green fluorescent protein (with a tyrosine-derived chromophore)	2015-12-09	2016-02-03	Remington, S.J.	pnGFP: circularly permuted green fluorescent protein	To Be Published	0	0	0	0	
4XF9	27477048	cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine	2014-12-26	2016-02-24	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
4XFB	27477048	cysteine dioxygenase variant - C93A at pH 8.0 unliganded	2014-12-26	2016-02-24	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
4XFC	27477048	cysteine dioxygenase variant - Y157F at pH 6.2 unliganded	2014-12-26	2016-02-24	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
4XFF	27477048	cysteine dioxygenase variant - Y157F at pH 6.2 with dithionite	2014-12-26	2016-02-24	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
4XFG	27477048	cysteine dioxygenase variant - C93A at pH 6.2 with cysteine	2014-12-26	2016-02-24	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
4XFH	27477048	cysteine dioxygenase variant - Y157F at pH 6.2 with cysteine	2014-12-26	2016-02-24	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
5EOR	26889021	Structure of the murine antibody Fab 8E3 bound to the vaccinia virus A27 peptide 101-110	2015-11-10	2016-03-02	Kaever, T.,Matho, M.H.,Meng, X.,Crickard, L.,Schlossman, A.,Xiang, Y.,Crotty, S.,Peters, B.,Zajonc, D.M.	Linear Epitopes in Vaccinia Virus A27 Are Targets of Protective Antibodies Induced by Vaccination against Smallpox.	J.Virol.	2016	90	4334	4345	
4YHX	27133026	Crystal Structure of LAGLIDADG Meganuclease I-GpeMI Bound to Uncleaved DNA	2015-02-27	2016-03-09	Lambert, A.R.,Hallinan, J.P.,Shen, B.W.,Chik, J.K.,Bolduc, J.M.,Kulshina, N.,Robins, L.I.,Kaiser, B.K.,Jarjour, J.,Havens, K.,Scharenberg, A.M.,Stoddard, B.L.	Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.	Structure	2016	24	862	873	
4XEZ	27477048	cysteine dioxygenase variant - Y157F at pH 8.0 with dithionite	2014-12-25	2016-03-16	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
4XF0	27477048	cysteine dioxygenase variant - C93A at pH 8.0 with cysteine	2014-12-25	2016-03-16	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
4XF4	27477048	Cysteine dioxygenase at pH 8.0 in complex with homocysteine	2014-12-26	2016-03-16	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
5I2K	26919761	Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)	2016-02-09	2016-03-16	Volgraf, M.,Sellers, B.D.,Jiang, Y.,Wu, G.,Ly, C.Q.,Villemure, E.,Pastor, R.M.,Yuen, P.W.,Lu, A.,Luo, X.,Liu, M.,Zhang, S.,Sun, L.,Fu, Y.,Lupardus, P.J.,Wallweber, H.J.,Liederer, B.M.,Deshmukh, G.,Plise, E.,Tay, S.,Reynen, P.,Herrington, J.,Gustafson, A.,Liu, Y.,Dirksen, A.,Dietz, M.G.,Liu, Y.,Wang, T.M.,Hanson, J.E.,Hackos, D.,Scearce-Levie, K.,Schwarz, J.B.	Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.	J.Med.Chem.	2016	59	2760	2779	
5HIC	26996308	EGFR kinase domain mutant ""TMLR"" with a imidazopyridinyl-aminopyrimidine inhibitor	2016-01-11	2016-04-06	Foster, S.A.,Whalen, D.M.,Ozen, A.,Wongchenko, M.J.,Yin, J.,Yen, I.,Schaefer, G.,Mayfield, J.D.,Chmielecki, J.,Stephens, P.J.,Albacker, L.A.,Yan, Y.,Song, K.,Hatzivassiliou, G.,Eigenbrot, C.,Yu, C.,Shaw, A.S.,Manning, G.,Skelton, N.J.,Hymowitz, S.G.,Malek, S.	Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.	Cancer Cell	2016	29	477	493	
5I30	27213181	Crystal structure of the human astrovirus 2 neutralizing monoclonal antibody PL-2 Fab fragment at 1.9 A resolution	2016-02-09	2016-04-13	Bogdanoff, W.A.,Morgenstern, D.,Bern, M.,Ueberheide, B.M.,Sanchez-Fauquier, A.,DuBois, R.M.	De Novo Sequencing and Resurrection of a Human Astrovirus-Neutralizing Antibody.	Acs Infect Dis.	2016	2	313	321	
5EPM	27129258	Ceratotoxin variant in complex with specific antibody Fab fragment	2015-11-11	2016-05-04	Shcherbatko, A.,Rossi, A.,Foletti, D.,Zhu, G.,Bogin, O.,Galindo Casas, M.,Rickert, M.,Hasa-Moreno, A.,Bartsevich, V.,Crameri, A.,Steiner, A.R.,Henningsen, R.,Gill, A.,Pons, J.,Shelton, D.L.,Rajpal, A.,Strop, P.	Engineering Highly Potent and Selective Microproteins against Nav1.7 Sodium Channel for Treatment of Pain.	J.Biol.Chem.	2016	291	13974	13986	
5HK9	27120257	Crystal structure of the CFTR inhibitory factor Cif bound to a urea inhibitor	2016-01-13	2016-05-18	Kitamura, S.,Hvorecny, K.L.,Niu, J.,Hammock, B.D.,Madden, D.R.,Morisseau, C.	Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.	J.Med.Chem.	2016	59	4790	4799	
5HKA	27120257	Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor	2016-01-13	2016-05-18	Kitamura, S.,Hvorecny, K.L.,Niu, J.,Hammock, B.D.,Madden, D.R.,Morisseau, C.	Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.	J.Med.Chem.	2016	59	4790	4799	
5EOJ	27192036	Crystal structure of an antiparallel hexamer coiled-coil - ACC-Hex-PheI	2015-11-10	2016-05-25	Spencer, R.K.,Hochbaum, A.I.	X-ray Crystallographic Structure and Solution Behavior of an Antiparallel Coiled-Coil Hexamer Formed by de Novo Peptides.	Biochemistry	2016	55	3214	3223	
5EON	27192036	Crystal structure of a de novo antiparallel coiled-coil hexamer - ACC-Hex	2015-11-10	2016-05-25	Spencer, R.K.,Hochbaum, A.I.	X-ray Crystallographic Structure and Solution Behavior of an Antiparallel Coiled-Coil Hexamer Formed by de Novo Peptides.	Biochemistry	2016	55	3214	3223	
5IUZ	27280734	STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5)	2016-03-18	2016-06-08	Shah, M.B.,Jang, H.H.,Wilderman, P.R.,Lee, D.,Li, S.,Zhang, Q.,Stout, C.D.,Halpert, J.R.	Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry.	Biophys.Chem.	2016	216	1	8	
5DX9	27307435	Structure of trehalose-6-phosphate phosphatase from Cryptococcus neoformans	2015-09-23	2016-06-15	Miao, Y.,Tenor, J.L.,Toffaletti, D.L.,Washington, E.J.,Liu, J.,Shadrick, W.R.,Schumacher, M.A.,Lee, R.E.,Perfect, J.R.,Brennan, R.G.	Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.	Proc.Natl.Acad.Sci.USA	2016	113	7148	7153	
5DXI	27307435	Structure of C. albicans Trehalose-6-phosphate phosphatase C-terminal domain	2015-09-23	2016-06-15	Miao, Y.,Tenor, J.L.,Toffaletti, D.L.,Washington, E.J.,Liu, J.,Shadrick, W.R.,Schumacher, M.A.,Lee, R.E.,Perfect, J.R.,Brennan, R.G.	Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.	Proc.Natl.Acad.Sci.USA	2016	113	7148	7153	
5JEJ	27302953	Phosphorylated STING in complex with IRF-3 CTD	2016-04-18	2016-06-15	Zhao, B.,Shu, C.,Gao, X.,Sankaran, B.,Du, F.,Shelton, C.L.,Herr, A.B.,Ji, J.Y.,Li, P.	Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.	Proc.Natl.Acad.Sci.USA	2016	113	0	0	
5JEK	27302953	Phosphorylated MAVS in complex with IRF-3	2016-04-18	2016-06-15	Zhao, B.,Shu, C.,Gao, X.,Sankaran, B.,Du, F.,Shelton, C.L.,Herr, A.B.,Ji, J.Y.,Li, P.	Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.	Proc.Natl.Acad.Sci.USA	2016	113	0	0	
5JEL	27302953	Phosphorylated TRIF in complex with IRF-3	2016-04-18	2016-06-15	Zhao, B.,Shu, C.,Gao, X.,Sankaran, B.,Du, F.,Shelton, C.L.,Herr, A.B.,Ji, J.Y.,Li, P.	Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.	Proc.Natl.Acad.Sci.USA	2016	113	0	0	
5JEO	27302953	Phosphorylated Rotavirus NSP1 in complex with IRF-3	2016-04-18	2016-06-15	Zhao, B.,Shu, C.,Gao, X.,Sankaran, B.,Du, F.,Shelton, C.L.,Herr, A.B.,Ji, J.Y.,Li, P.	Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.	Proc.Natl.Acad.Sci.USA	2016	113	0	0	
5JER	27302953	Structure of Rotavirus NSP1 bound to IRF-3	2016-04-18	2016-06-15	Zhao, B.,Shu, C.,Gao, X.,Sankaran, B.,Du, F.,Shelton, C.L.,Herr, A.B.,Ji, J.Y.,Li, P.	Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.	Proc.Natl.Acad.Sci.USA	2016	113	0	0	
5K14	27371922	HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog	2016-05-17	2016-06-29	Simon, P.,Baszczynski, O.,Saman, D.,Stepan, G.,Hu, E.,Lansdon, E.B.,Jansa, P.,Janeba, Z.	Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.	Eur.J.Med.Chem.	2016	122	185	195	
4XUH	26445566	PPARgamma ligand binding domain in complex with sulindac sulfide	2015-01-25	2016-07-27	Puhl, A.C.,Milton, F.A.,Cvoro, A.,Sieglaff, D.H.,Campos, J.C.,Bernardes, A.,Filgueira, C.S.,Lindemann, J.L.,Deng, T.,Neves, F.A.,Polikarpov, I.,Webb, P.	Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.	Nucl Recept Signal	2015	13	0	0	
5KLP	27525589	Crystal structure of HopZ1a in complex with IP6	2016-06-24	2016-08-10	Zhang, Z.M.,Ma, K.W.,Yuan, S.,Luo, Y.,Jiang, S.,Hawara, E.,Pan, S.,Ma, W.,Song, J.	Structure of a pathogen effector reveals the enzymatic mechanism of a novel acetyltransferase family.	Nat.Struct.Mol.Biol.	2016	23	847	852	
5EYA	27425606	TRIM25 RING domain in complex with Ubc13-Ub conjugate	2015-11-24	2016-08-17	Sanchez, J.G.,Chiang, J.J.,Sparrer, K.M.,Alam, S.L.,Chi, M.,Roganowicz, M.D.,Sankaran, B.,Gack, M.U.,Pornillos, O.	Mechanism of TRIM25 Catalytic Activation in the Antiviral RIG-I Pathway.	Cell Rep	2016	16	1315	1325	
5KLQ	27525589	Crystal structure of HopZ1a in complex with IP6 and CoA	2016-06-24	2016-08-17	Zhang, Z.M.,Ma, K.W.,Yuan, S.,Luo, Y.,Jiang, S.,Hawara, E.,Pan, S.,Ma, W.,Song, J.	Structure of a pathogen effector reveals the enzymatic mechanism of a novel acetyltransferase family.	Nat.Struct.Mol.Biol.	2016	23	847	852	
4ZOR	27549001	The structure of the S37P MS2 viral capsid assembly.	2015-05-06	2016-09-07	Asensio, M.A.,Morella, N.M.,Jakobson, C.M.,Hartman, E.C.,Glasgow, J.E.,Sankaran, B.,Zwart, P.H.,Tullman-Ercek, D.	A Selection for Assembly Reveals That a Single Amino Acid Mutant of the Bacteriophage MS2 Coat Protein Forms a Smaller Virus-like Particle.	Nano Lett.	2016	16	5944	5950	
5HAI	27073009	P99 beta-lactamase mutant - S64G	2015-12-30	2016-09-07	Stojanoski, V.,Adamski, C.J.,Hu, L.,Mehta, S.C.,Sankaran, B.,Zwart, P.,Prasad, B.V.,Palzkill, T.	Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.	Biochemistry	2016	55	2479	2490	
5HAQ	27073009	OXa-48 beta-lactamase mutant - S70G	2015-12-30	2016-09-07	Stojanoski, V.,Adamski, C.J.,Hu, L.,Mehta, S.C.,Sankaran, B.,Zwart, P.,Prasad, B.V.,Palzkill, T.	Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.	Biochemistry	2016	55	2479	2490	
5HAR	27073009	OXA-163 beta-lactamase - S70G mutant	2015-12-30	2016-09-07	Stojanoski, V.,Adamski, C.J.,Hu, L.,Mehta, S.C.,Sankaran, B.,Zwart, P.,Prasad, B.V.,Palzkill, T.	Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.	Biochemistry	2016	55	2479	2490	
5K95	28126741	Crystal Structure of GTP Cyclohydrolase-IB with 8-oxo-GTP	2016-05-31	2016-09-07	Paranagama, N.,Bonnett, S.A.,Alvarez, J.,Luthra, A.,Stec, B.,Gustafson, A.,Iwata-Reuyl, D.,Swairjo, M.A.	Mechanism and catalytic strategy of the prokaryotic-specific GTP cyclohydrolase-IB.	Biochem.J.	2017	474	1017	1039	
5JR8	27796299	Disposal of Iron by a Mutant form of Siderocalin NGAL	2016-05-05	2016-09-28	Barasch, J.,Hollmen, M.,Deng, R.,Hod, E.A.,Rupert, P.B.,Abergel, R.J.,Allred, B.E.,Xu, K.,Darrah, S.F.,Tekabe, Y.,Perlstein, A.,Wax, R.,Bruck, E.,Stauber, J.,Corbin, K.A.,Buchen, C.,Slavkovich, V.,Graziano, J.,Spitalnik, S.L.,Bao, G.,Strong, R.K.,Qiu, A.	Disposal of iron by a mutant form of lipocalin 2.	Nat Commun	2016	7	12973	12973	
5KW9	27647885	Structural Basis for Norovirus Neutralization by a HBGA Blocking Human IgA Antibody	2016-07-15	2016-10-05	Shanker, S.,Czako, R.,Sapparapu, G.,Alvarado, G.,Viskovska, M.,Sankaran, B.,Atmar, R.L.,Crowe, J.E.,Estes, M.K.,Prasad, B.V.	Structural basis for norovirus neutralization by an HBGA blocking human IgA antibody.	Proc.Natl.Acad.Sci.USA	2016	113	0	0	
4Z96		Crystal structure of DNMT1 in complex with USP7	2015-04-09	2016-10-12	Zhang, Z.M.,Song, J.	Crystal structure of DNMT1 in complex with USP7	To Be Published	0	0	0	0	
4Z97		Crystal structure of USP7 in complex with DNMT1(K1115Q)	2015-04-09	2016-10-12	Zhang, Z.M.,Song, J.	Crystal structure of USP7 in complex with DNMT1(K1115Q)	To Be Published	0	0	0	0	
5SYO		Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with Cytisine	2016-08-11	2016-10-12	Bobango, J.,Wu, J.,Talley, I.T.,Talley, T.T.	Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with Cytisine	To Be Published	0	0	0	0	
5KZI	27769621	Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.	2016-07-25	2016-11-09	Wurz, R.P.,Sastri, C.,D'Amico, D.C.,Herberich, B.,Jackson, C.L.,Pettus, L.H.,Tasker, A.S.,Wu, B.,Guerrero, N.,Lipford, J.R.,Winston, J.T.,Yang, Y.,Wang, P.,Nguyen, Y.,Andrews, K.L.,Huang, X.,Lee, M.R.,Mohr, C.,Zhang, J.D.,Reid, D.L.,Xu, Y.,Zhou, Y.,Wang, H.L.	Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.	Bioorg. Med. Chem. Lett.	2016	26	5580	5590	
5TFS	27806295	Structure of chimeric 02-K Fab, a VRC01-like germline antibody	2016-09-26	2016-11-09	Yacoob, C.,Pancera, M.,Vigdorovich, V.,Oliver, B.G.,Glenn, J.A.,Feng, J.,Sather, D.N.,McGuire, A.T.,Stamatatos, L.	Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors.	Cell Rep	2016	17	1560	1570	
5TGB	27806295	Structure of chimeric 02-CB Fab, a VRC01-like germline antibody	2016-09-27	2016-11-09	Yacoob, C.,Pancera, M.,Vigdorovich, V.,Oliver, B.G.,Glenn, J.A.,Feng, J.,Sather, D.N.,McGuire, A.T.,Stamatatos, L.	Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors.	Cell Rep	2016	17	1560	1570	
5TF1	27806295	Structure of chimeric 02-CC Fab, a VRC01-like germline antibody	2016-09-23	2016-11-16	Yacoob, C.,Pancera, M.,Vigdorovich, V.,Oliver, B.G.,Glenn, J.A.,Feng, J.,Sather, D.N.,McGuire, A.T.,Stamatatos, L.	Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors.	Cell Rep	2016	17	1560	1570	
5TVC		Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)	2016-11-08	2016-11-30	Bobango, J.,Wu, J.,Talley, I.T.,Talley, T.T.	Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)	To Be Published	0	0	0	0	
5F79	28197323	Influenza PB2 bound to an azaindole inhibitor	2015-12-07	2016-12-07	Bandarage, U.K.,Clark, M.P.,Perola, E.,Gao, H.,Jacobs, M.D.,Tsai, A.,Gillespie, J.,Kennedy, J.M.,Maltais, F.,Ledeboer, M.W.,Davies, I.,Gu, W.,Byrn, R.A.,Nti Addae, K.,Bennett, H.,Leeman, J.R.,Jones, S.M.,O'Brien, C.,Memmott, C.,Bennani, Y.,Charifson, P.S.	Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.	ACS Med Chem Lett	2017	8	261	265	
5TDP		Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces	2016-09-19	2016-12-07	Yin, Y.,Carter, P.J.	Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces	To Be Published	0	0	0	0	
5I0R	27477048	D-cysteine bound C93A mutant of Cysteine Dioxygenase at pH 8	2016-02-04	2016-12-14	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
5I0S	27477048	Thiosulfate bound Cysteine Dioxygenase at pH 6.2	2016-02-04	2016-12-14	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
5I0T	27477048	Thiosulfate bound Cysteine Dioxygenase at pH 6.8	2016-02-04	2016-12-14	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
5TGQ	28180307	Restriction-modification system Type II R.SwaI, DNA free	2016-09-28	2016-12-21	Shen, B.W.,Heiter, D.F.,Lunnen, K.D.,Wilson, G.G.,Stoddard, B.L.	DNA recognition by the SwaI restriction endonuclease involves unusual distortion of an 8 base pair A:T-rich target.	Nucleic Acids Res.	2017	45	1516	1528	
5T7F		PI3Kdelta in complex with the inhibitor GS-643624	2016-09-04	2016-12-28	Patel, L.,Chandrasekhar, J.,Evarts, J.,Forseth, K.,Haran, A.,Ip, C.,Kashishian, A.,Kim, M.,Koditek, D.,Koppenol, S.,Lad, L.,Lepist, E.-I.,McGrath, M.E.,Perreault, S.,Puri, K.,Villasenor, A.,Somoza, J.R.,Steiner, B.,Therrien, J.,Trilberg, J.,Phillips, G.	The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd	To Be Published	0	0	0	0	
5T8I		PI3Kdelta in complex with the inhibitor GS-9901	2016-09-07	2016-12-28	Patel, L.,Chandrasekhar, J.,Evarts, J.,Forseth, K.,Haran, A.,Ip, C.,Kashishian, A.,Kim, M.,Koditek, D.,Koppenol, S.,Lad, L.,Lepist, E.-I.,McGrath, M.E.,Perreault, S.,Puri, K.,Villasenor, A.,Somoza, J.R.,Steiner, B.,Therrien, J.,Trilberg, J.,Phillips, G.	The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd	To Be Published	0	0	0	0	
5U5H	27992714	Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine	2016-12-06	2017-01-11	Lingel, A.,Sendzik, M.,Huang, Y.,Shultz, M.D.,Cantwell, J.,Dillon, M.P.,Fu, X.,Fuller, J.,Gabriel, T.,Gu, J.,Jiang, X.,Li, L.,Liang, F.,McKenna, M.,Qi, W.,Rao, W.,Sheng, X.,Shu, W.,Sutton, J.,Taft, B.,Wang, L.,Zeng, J.,Zhang, H.,Zhang, M.,Zhao, K.,Lindvall, M.,Bussiere, D.E.	Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.	J. Med. Chem.	2017	60	415	427	
5T9W	28075591	Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A	2016-09-09	2017-01-25	Steadman, V.A.,Pettit, S.B.,Poullennec, K.G.,Lazarides, L.,Keats, A.J.,Dean, D.K.,Stanway, S.J.,Austin, C.A.,Sanvoisin, J.A.,Watt, G.M.,Fliri, H.G.,Liclican, A.C.,Jin, D.,Wong, M.H.,Leavitt, S.A.,Lee, Y.J.,Tian, Y.,Frey, C.R.,Appleby, T.C.,Schmitz, U.,Jansa, P.,Mackman, R.L.,Schultz, B.E.	Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.	J. Med. Chem.	2017	60	1000	1017	
5TA2	28075591	Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A	2016-09-09	2017-01-25	Steadman, V.A.,Pettit, S.B.,Poullennec, K.G.,Lazarides, L.,Keats, A.J.,Dean, D.K.,Stanway, S.J.,Austin, C.A.,Sanvoisin, J.A.,Watt, G.M.,Fliri, H.G.,Liclican, A.C.,Jin, D.,Wong, M.H.,Leavitt, S.A.,Lee, Y.J.,Tian, Y.,Frey, C.R.,Appleby, T.C.,Schmitz, U.,Jansa, P.,Mackman, R.L.,Schultz, B.E.	Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.	J. Med. Chem.	2017	60	1000	1017	
5T5X	28143926	High resolution structure of mouse Cryptochrome 1	2016-08-31	2017-02-08	Michael, A.K.,Fribourgh, J.L.,Chelliah, Y.,Sandate, C.R.,Hura, G.L.,Schneidman-Duhovny, D.,Tripathi, S.M.,Takahashi, J.S.,Partch, C.L.	Formation of a repressive complex in the mammalian circadian clock is mediated by the secondary pocket of CRY1.	Proc. Natl. Acad. Sci. U.S.A.	2017	114	1560	1565	
5I0U	27477048	Incompletely interpreted D-cysteine soak of Cysteine Dioxygenase at pH 7.0	2016-02-04	2017-02-22	Driggers, C.M.,Kean, K.M.,Hirschberger, L.L.,Cooley, R.B.,Stipanuk, M.H.,Karplus, P.A.	Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.	J. Mol. Biol.	2016	428	3999	4012	
5I4U		The crystal structure of PI3Kdelta with compound 34	2016-02-12	2017-02-22	Somoza, J.R.,Villasenor, G.A.	The Design and Synthesis of Potent, Selective and Metabolically Stable PI3K[delta] Inhibitors	To be published	0	0	0	0	
5I6U		The crystal structure of PI3Kdelta with compound 32	2016-02-16	2017-02-22	Somoza, J.R.,Villasenor, A.G.	The crystal structure of PI3Kdelta with compound 32	To Be Published	0	0	0	0	
5TZ3	28165743	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX with [1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(naphthalene-2-yl)piperidine-3-carboxamide	2016-11-21	2017-02-22	Gomez, L.,Massari, M.E.,Vickers, T.,Freestone, G.,Vernier, W.,Ly, K.,Xu, R.,McCarrick, M.,Marrone, T.,Metz, M.,Yan, Y.G.,Yoder, Z.W.,Lemus, R.,Broadbent, N.J.,Barido, R.,Warren, N.,Schmelzer, K.,Neul, D.,Lee, D.,Andersen, C.B.,Sebring, K.,Aertgeerts, K.,Zhou, X.,Tabatabaei, A.,Peters, M.,Breitenbucher, J.G.	Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.	J. Med. Chem.	2017	60	2037	2051	
5TZA	28165743	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine	2016-11-21	2017-02-22	Gomez, L.,Massari, M.E.,Vickers, T.,Freestone, G.,Vernier, W.,Ly, K.,Xu, R.,McCarrick, M.,Marrone, T.,Metz, M.,Yan, Y.G.,Yoder, Z.W.,Lemus, R.,Broadbent, N.J.,Barido, R.,Warren, N.,Schmelzer, K.,Neul, D.,Lee, D.,Andersen, C.B.,Sebring, K.,Aertgeerts, K.,Zhou, X.,Tabatabaei, A.,Peters, M.,Breitenbucher, J.G.	Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.	J. Med. Chem.	2017	60	2037	2051	
5TZH	28165743	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluorophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine	2016-11-21	2017-02-22	Gomez, L.,Massari, M.E.,Vickers, T.,Freestone, G.,Vernier, W.,Ly, K.,Xu, R.,McCarrick, M.,Marrone, T.,Metz, M.,Yan, Y.G.,Yoder, Z.W.,Lemus, R.,Broadbent, N.J.,Barido, R.,Warren, N.,Schmelzer, K.,Neul, D.,Lee, D.,Andersen, C.B.,Sebring, K.,Aertgeerts, K.,Zhou, X.,Tabatabaei, A.,Peters, M.,Breitenbucher, J.G.	Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.	J. Med. Chem.	2017	60	2037	2051	
5TZW	28165743	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3,4-difluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine	2016-11-22	2017-02-22	Gomez, L.,Massari, M.E.,Vickers, T.,Freestone, G.,Vernier, W.,Ly, K.,Xu, R.,McCarrick, M.,Marrone, T.,Metz, M.,Yan, Y.G.,Yoder, Z.W.,Lemus, R.,Broadbent, N.J.,Barido, R.,Warren, N.,Schmelzer, K.,Neul, D.,Lee, D.,Andersen, C.B.,Sebring, K.,Aertgeerts, K.,Zhou, X.,Tabatabaei, A.,Peters, M.,Breitenbucher, J.G.	Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.	J. Med. Chem.	2017	60	2037	2051	
5TZX	28165743	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-chloro-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine	2016-11-22	2017-02-22	Gomez, L.,Massari, M.E.,Vickers, T.,Freestone, G.,Vernier, W.,Ly, K.,Xu, R.,McCarrick, M.,Marrone, T.,Metz, M.,Yan, Y.G.,Yoder, Z.W.,Lemus, R.,Broadbent, N.J.,Barido, R.,Warren, N.,Schmelzer, K.,Neul, D.,Lee, D.,Andersen, C.B.,Sebring, K.,Aertgeerts, K.,Zhou, X.,Tabatabaei, A.,Peters, M.,Breitenbucher, J.G.	Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.	J. Med. Chem.	2017	60	2037	2051	
5TZZ	28165743	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine	2016-11-22	2017-02-22	Gomez, L.,Massari, M.E.,Vickers, T.,Freestone, G.,Vernier, W.,Ly, K.,Xu, R.,McCarrick, M.,Marrone, T.,Metz, M.,Yan, Y.G.,Yoder, Z.W.,Lemus, R.,Broadbent, N.J.,Barido, R.,Warren, N.,Schmelzer, K.,Neul, D.,Lee, D.,Andersen, C.B.,Sebring, K.,Aertgeerts, K.,Zhou, X.,Tabatabaei, A.,Peters, M.,Breitenbucher, J.G.	Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.	J. Med. Chem.	2017	60	2037	2051	
5TH6	28235803	Structure determination of a potent, selective antibody inhibitor of human MMP9 (apo MMP9)	2016-09-29	2017-03-01	Appleby, T.C.,Greenstein, A.E.,Hung, M.,Liclican, A.,Velasquez, M.,Villasenor, A.G.,Wang, R.,Wong, M.H.,Liu, X.,Papalia, G.A.,Schultz, B.E.,Sakowicz, R.,Smith, V.,Kwon, H.J.	Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.	J. Biol. Chem.	2017	292	6810	6820	
5J5F	28221788	X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine	2016-04-02	2017-03-08	Kaczanowska, K.,Camacho Hernandez, G.A.,Bendiks, L.,Kohs, L.,Cornejo-Bravo, J.M.,Harel, M.,Finn, M.G.,Taylor, P.	Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.	J. Am. Chem. Soc.	2017	139	3676	3684	
5J5G	28221788	X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine	2016-04-02	2017-03-08	Kaczanowska, K.,Camacho Hernandez, G.A.,Bendiks, L.,Kohs, L.,Cornejo-Bravo, J.M.,Harel, M.,Finn, M.G.,Taylor, P.	Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.	J. Am. Chem. Soc.	2017	139	3676	3684	
5J5H	28221788	X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine	2016-04-02	2017-03-08	Kaczanowska, K.,Camacho Hernandez, G.A.,Bendiks, L.,Kohs, L.,Cornejo-Bravo, J.M.,Harel, M.,Finn, M.G.,Taylor, P.	Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.	J. Am. Chem. Soc.	2017	139	3676	3684	
5J5I	28221788	X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol	2016-04-02	2017-03-08	Kaczanowska, K.,Camacho Hernandez, G.A.,Bendiks, L.,Kohs, L.,Cornejo-Bravo, J.M.,Harel, M.,Finn, M.G.,Taylor, P.	Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.	J. Am. Chem. Soc.	2017	139	3676	3684	
5TH9	28235803	Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9)	2016-09-29	2017-03-15	Appleby, T.C.,Greenstein, A.E.,Hung, M.,Liclican, A.,Velasquez, M.,Villasenor, A.G.,Wang, R.,Wong, M.H.,Liu, X.,Papalia, G.A.,Schultz, B.E.,Sakowicz, R.,Smith, V.,Kwon, H.J.	Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.	J. Biol. Chem.	2017	292	6810	6820	
5J48	28793191	PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP	2016-03-31	2017-04-12	Campbell, J.C.,Henning, P.,Franz, E.,Sankaran, B.,Herberg, F.W.,Kim, C.	Structural Basis of Analog Specificity in PKG I and II.	ACS Chem. Biol.	2017	12	2388	2398	
5V8W	28396433	Crystal structure of human Integrator IntS9-IntS11 CTD complex	2017-03-22	2017-04-12	Wu, Y.,Albrecht, T.R.,Baillat, D.,Wagner, E.J.,Tong, L.	Molecular basis for the interaction between Integrator subunits IntS9 and IntS11 and its functional importance.	Proc. Natl. Acad. Sci. U.S.A.	2017	114	4394	4399	
5KHP	27802058	Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications	2016-06-15	2017-04-26	Captain, I.,Deblonde, G.J.,Rupert, P.B.,An, D.D.,Illy, M.C.,Rostan, E.,Ralston, C.Y.,Strong, R.K.,Abergel, R.J.	Engineered Recognition of Tetravalent Zirconium and Thorium by Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms.	Inorg Chem	2016	55	11930	11936	
5KIC	28837177	Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series	2016-06-16	2017-04-26	Deblonde, G.J.,Sturzbecher-Hoehne, M.,Rupert, P.B.,An, D.D.,Illy, M.C.,Ralston, C.Y.,Brabec, J.,de Jong, W.A.,Strong, R.K.,Abergel, R.J.	Chelation and stabilization of berkelium in oxidation state +IV.	Nat Chem	2017	9	843	849	
5KID	27802058	Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications	2016-06-16	2017-04-26	Captain, I.,Deblonde, G.J.,Rupert, P.B.,An, D.D.,Illy, M.C.,Rostan, E.,Ralston, C.Y.,Strong, R.K.,Abergel, R.J.	Engineered Recognition of Tetravalent Zirconium and Thorium by Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms.	Inorg Chem	2016	55	11930	11936	
5HUV		Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose	2016-01-27	2017-05-03	Miao, Y.,Brennan, R.G.	Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose	To Be Published	0	0	0	0	
5JIX	28793191	PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP	2016-04-22	2017-05-03	Campbell, J.C.,Henning, P.,Franz, E.,Sankaran, B.,Herberg, F.W.,Kim, C.	Structural Basis of Analog Specificity in PKG I and II.	ACS Chem. Biol.	2017	12	2388	2398	
5JIZ		PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP	2016-04-22	2017-05-03	Campbell, J.C.,Kim, C.W.	PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP	To Be Published	0	0	0	0	
5T2H	28637173	Engineered variant of I-OnuI meganuclease targeting the Human TCRa gene; harbors 43 point mutations relative to wild-type I-OnuI	2016-08-23	2017-05-03	Werther, R.,Hallinan, J.P.,Lambert, A.R.,Havens, K.,Pogson, M.,Jarjour, J.,Galizi, R.,Windbichler, N.,Crisanti, A.,Nolan, T.,Stoddard, B.L.	Crystallographic analyses illustrate significant plasticity and efficient recoding of meganuclease target specificity.	Nucleic Acids Res.	2017	45	8621	8634	
5URY	28377511	Crystal structure of Frizzled 5 CRD in complex with PAM	2017-02-13	2017-05-10	Nile, A.H.,Mukund, S.,Stanger, K.,Wang, W.,Hannoush, R.N.	Unsaturated fatty acyl recognition by Frizzled receptors mediates dimerization upon Wnt ligand binding.	Proc. Natl. Acad. Sci. U.S.A.	2017	114	4147	4152	
5JX7		Cysteine mutant (C224A) structure of As (III) S-adenosyl methyltransferase	2016-05-12	2017-05-17	Packianathan, C.,Marapakala, K.,Ajees, A.A.,Kandavelu, P.,Sankaran, B.,Rosen, B.P.	Cysteine mutant (C224A) structure of As (III) S-adenosyl methyltransferase	To be Published	0	0	0	0	
5V4W	28512030	Human glucokinase in complex with novel indazole activator.	2017-03-10	2017-05-31	Cheruvallath, Z.S.,Gwaltney, S.L.,Sabat, M.,Tang, M.,Wang, H.,Jennings, A.,Hosfield, D.,Lee, B.,Wu, Y.,Halkowycz, P.,Grimshaw, C.E.	Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.	Bioorg. Med. Chem. Lett.	2017	27	2678	2682	
5TW6	28613873	CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule	2016-11-11	2017-06-28	Patel, M.P.,Hu, L.,Stojanoski, V.,Sankaran, B.,Prasad, B.V.V.,Palzkill, T.	The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.	Biochemistry	2017	56	3443	3453	
5TWD	28613873	CTX-M-14 P167S apoenzyme	2016-11-12	2017-06-28	Patel, M.P.,Hu, L.,Stojanoski, V.,Sankaran, B.,Prasad, B.V.V.,Palzkill, T.	The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.	Biochemistry	2017	56	3443	3453	
5TWE	28613873	CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime	2016-11-12	2017-06-28	Patel, M.P.,Hu, L.,Stojanoski, V.,Sankaran, B.,Prasad, B.V.V.,Palzkill, T.	The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.	Biochemistry	2017	56	3443	3453	
5U53	28613873	CTX-M-14 E166A with acylated ceftazidime molecule	2016-12-06	2017-06-28	Patel, M.P.,Hu, L.,Stojanoski, V.,Sankaran, B.,Prasad, B.V.V.,Palzkill, T.	The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.	Biochemistry	2017	56	3443	3453	
5VTH	28613873	CTX-M-14 P167S:E166A mutant	2017-05-17	2017-06-28	Patel, M.P.,Hu, L.,Stojanoski, V.,Sankaran, B.,Prasad, B.V.V.,Palzkill, T.	The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.	Biochemistry	2017	56	3443	3453	
5W7N		2-Se-T2/4-DNA and native RNA hybrid in complex with RNase H catalytic domain D132N mutant	2017-06-20	2017-06-28	Fang, Z.,Yang, F.,Huang, Z.	2-Se-T2/4-modified-DNA and native RNA hybrid in complex with RNase H catalytic domain D132N mutant	To Be Published	0	0	0	0	
5W7O		2-Se-T4-DNA and native RNA hybrid in complex with RNase H catalytic domain D132N mutant	2017-06-20	2017-06-28	Fang, Z.,Yang, F.,Huang, Z.	2-Se-T-modified-DNA and native RNA hybrid in complex with RNase H catalytic domain D132N mutant	To Be Published	0	0	0	0	
5L0N		PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with RP-cGMP	2016-07-27	2017-08-02	Campbell, J.C.,Sankaran, B.,Kim, C.W.	Structure of PKG I CNB-B bound to RP-cGMP	To Be Published	0	0	0	0	
5JD7	28793191	PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP	2016-04-15	2017-08-09	Campbell, J.C.,Henning, P.,Franz, E.,Sankaran, B.,Herberg, F.W.,Kim, C.	Structural Basis of Analog Specificity in PKG I and II.	ACS Chem. Biol.	2017	12	2388	2398	
5W3Y	28737762	Crystal structure of PopP2 C321A in complex with IP6 and AcCoA	2017-06-08	2017-08-09	Zhang, Z.M.,Ma, K.W.,Gao, L.,Hu, Z.,Schwizer, S.,Ma, W.,Song, J.	Mechanism of host substrate acetylation by a YopJ family effector.	Nat Plants	2017	3	17115	17115	
5WJR		High resolution native hexamer DNA and RNA hybrid in complex with RNase H catalytic domain D132N mutant	2017-07-24	2017-08-09	Fang, Z.,Dantsu, Y.,Chen, C.,Zhang, W.,Huang, Z.	Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate	Chemistryselect	2023	8	0	0	
5U56	28864445	Structure of Francisella tularensis heterodimeric SspA (MglA-SspA)	2016-12-06	2017-08-16	Cuthbert, B.J.,Ross, W.,Rohlfing, A.E.,Dove, S.L.,Gourse, R.L.,Brennan, R.G.,Schumacher, M.A.	Dissection of the molecular circuitry controlling virulence in Francisella tularensis.	Genes Dev.	2017	31	1549	1560	
5VLA	28825733	Short PCSK9 delta-P' complex with Fusion2 peptide	2017-04-25	2017-08-16	Zhang, Y.,Ultsch, M.,Skelton, N.J.,Burdick, D.J.,Beresini, M.H.,Li, W.,Kong-Beltran, M.,Peterson, A.,Quinn, J.,Chiu, C.,Wu, Y.,Shia, S.,Moran, P.,Di Lello, P.,Eigenbrot, C.,Kirchhofer, D.	Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.	Nat. Struct. Mol. Biol.	2017	24	848	856	
5UNM	28784764	LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, substrate free form with flexible loop	2017-01-31	2017-08-23	Fellner, M.,Desguin, B.,Hausinger, R.P.,Hu, J.	Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.	Proc. Natl. Acad. Sci. U.S.A.	2017	114	9074	9079	
5VW2	28783258	NADPH soak of Y316S mutant of corn root ferredoxin:NADP+ reductase	2017-05-21	2017-08-23	Kean, K.M.,Carpenter, R.A.,Pandini, V.,Zanetti, G.,Hall, A.R.,Faber, R.,Aliverti, A.,Karplus, P.A.	High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.	FEBS J.	2017	284	3302	3319	
5VW3	28783258	NADP+ soak of Y316S mutant of corn root ferredoxin:NADP+ reductase	2017-05-21	2017-08-23	Kean, K.M.,Carpenter, R.A.,Pandini, V.,Zanetti, G.,Hall, A.R.,Faber, R.,Aliverti, A.,Karplus, P.A.	High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.	FEBS J.	2017	284	3302	3319	
5V5F	28463111	Crystal structure of RICE1 (PNT2)	2017-03-14	2017-09-13	Zhang, Z.,Hu, F.,Sung, M.W.,Shu, C.,Castillo-Gonzalez, C.,Koiwa, H.,Tang, G.,Dickman, M.,Li, P.,Zhang, X.	RISC-interacting clearing 3'- 5' exoribonucleases (RICEs) degrade uridylated cleavage fragments to maintain functional RISC in Arabidopsis thaliana.	Elife	2017	6	0	0	
5VO1	28929759	DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)	2017-05-01	2017-10-04	Patel, S.,Meilandt, W.J.,Erickson, R.I.,Chen, J.,Deshmukh, G.,Estrada, A.A.,Fuji, R.N.,Gibbons, P.,Gustafson, A.,Harris, S.F.,Imperio, J.,Liu, W.,Liu, X.,Liu, Y.,Lyssikatos, J.P.,Ma, C.,Yin, J.,Lewcock, J.W.,Siu, M.	Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.	J. Med. Chem.	2017	60	8083	8102	
6B4L	25679114	Crystal structure of MCL-1 in complex with a BIM competitive inhibitor	2017-09-26	2017-10-04	Bruncko, M.,Wang, L.,Sheppard, G.S.,Phillips, D.C.,Tahir, S.K.,Xue, J.,Erickson, S.,Fidanze, S.,Fry, E.,Hasvold, L.,Jenkins, G.J.,Jin, S.,Judge, R.A.,Kovar, P.J.,Madar, D.,Nimmer, P.,Park, C.,Petros, A.M.,Rosenberg, S.H.,Smith, M.L.,Song, X.,Sun, C.,Tao, Z.F.,Wang, X.,Xiao, Y.,Zhang, H.,Tse, C.,Leverson, J.D.,Elmore, S.W.,Souers, A.J.	Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.	J. Med. Chem.	2015	58	2180	2194	
6B4U	25679114	Crystal structure of MCL-1 in complex with a BIM competitive inhibitor	2017-09-27	2017-10-04	Bruncko, M.,Wang, L.,Sheppard, G.S.,Phillips, D.C.,Tahir, S.K.,Xue, J.,Erickson, S.,Fidanze, S.,Fry, E.,Hasvold, L.,Jenkins, G.J.,Jin, S.,Judge, R.A.,Kovar, P.J.,Madar, D.,Nimmer, P.,Park, C.,Petros, A.M.,Rosenberg, S.H.,Smith, M.L.,Song, X.,Sun, C.,Tao, Z.F.,Wang, X.,Xiao, Y.,Zhang, H.,Tse, C.,Leverson, J.D.,Elmore, S.W.,Souers, A.J.	Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.	J. Med. Chem.	2015	58	2180	2194	
5CVZ	16677679	Investigation of RNA structure in satellite panicum mosaic virus - glutaraldehyde treated	2015-07-27	2017-10-11	Makino, D.L.,Day, J.,Larson, S.B.,McPherson, A.	Investigation of RNA structure in satellite panicum mosaic virus.	Virology	2006	351	420	431	
6ANO	29020104	Crystal structure of human FLASH N-terminal domain	2017-08-14	2017-11-15	Aik, W.S.,Lin, M.H.,Tan, D.,Tripathy, A.,Marzluff, W.F.,Dominski, Z.,Chou, C.Y.,Tong, L.	The N-terminal domains of FLASH and Lsm11 form a 2:1 heterotrimer for histone pre-mRNA 3'-end processing.	PLoS ONE	2017	12	0	0	
6BLM	29184004	Crystal Structure of Native Fused 4-OT	2017-11-10	2017-12-06	Davidson, R.,Baas, B.J.,Akiva, E.,Holliday, G.L.,Polacco, B.J.,LeVieux, J.A.,Pullara, C.R.,Zhang, Y.J.,Whitman, C.P.,Babbitt, P.C.	A global view of structure-function relationships in the tautomerase superfamily.	J. Biol. Chem.	2018	293	2342	2357	
5WE1	29149597	Structural Basis for Shelterin Bridge Assembly	2017-07-06	2017-12-20	Kim, J.K.,Liu, J.,Hu, X.,Yu, C.,Roskamp, K.,Sankaran, B.,Huang, L.,Komives, E.A.,Qiao, F.	Structural Basis for Shelterin Bridge Assembly.	Mol. Cell	2017	68	698	0	
5WE2	29149597	Structural Basis for Telomere Length Regulation by the Shelterin Bridge	2017-07-06	2017-12-20	Kim, J.K.,Liu, J.,Hu, X.,Yu, C.,Roskamp, K.,Sankaran, B.,Huang, L.,Komives, E.A.,Qiao, F.	Structural Basis for Shelterin Bridge Assembly.	Mol. Cell	2017	68	698	0	
5UKA	28375740	Salmonella typhimurium AhpC E49Q mutant	2017-01-20	2018-01-24	Nelson, K.J.,Perkins, A.,Van Swearingen, A.E.D.,Hartman, S.,Brereton, A.E.,Parsonage, D.,Salsbury Jr., F.R.,Karplus, P.A.,Poole, L.B.	Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.	Antioxid.Redox Signal.	2018	28	521	536	
6F57	29414941	Crystal structure of DNMT3A-DNMT3L in complex with single CpG-containing DNA	2017-12-01	2018-01-31	Zhang, Z.M.,Lu, R.,Wang, P.,Yu, Y.,Chen, D.,Gao, L.,Liu, S.,Ji, D.,Rothbart, S.B.,Wang, Y.,Wang, G.G.,Song, J.	Structural basis for DNMT3A-mediated de novo DNA methylation.	Nature	2018	554	387	391	
5UR8	29410413	Human antibody fragment (Fab) to meningococcal Factor H binding protein	2017-02-09	2018-02-14	Lopez-Sagaseta, J.,Beernink, P.T.,Bianchi, F.,Santini, L.,Frigimelica, E.,Lucas, A.H.,Pizza, M.,Bottomley, M.J.	Crystal structure reveals vaccine elicited bactericidal human antibody targeting a conserved epitope on meningococcal fHbp.	Nat Commun	2018	9	528	528	
6ATU	29483648	Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox	2017-08-29	2018-02-28	Correnti, C.E.,Gewe, M.M.,Mehlin, C.,Bandaranayake, A.D.,Johnsen, W.A.,Rupert, P.B.,Brusniak, M.Y.,Clarke, M.,Burke, S.E.,De Van Der Schueren, W.,Pilat, K.,Turnbaugh, S.M.,May, D.,Watson, A.,Chan, M.K.,Bahl, C.D.,Olson, J.M.,Strong, R.K.	Screening, large-scale production and structure-based classification of cystine-dense peptides.	Nat. Struct. Mol. Biol.	2018	25	270	278	
6BLP	29487211	Pol II elongation complex with an abasic lesion at i+1 position, soaking AMPCPP	2017-11-11	2018-02-28	Wang, W.,Walmacq, C.,Chong, J.,Kashlev, M.,Wang, D.	Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.	Proc. Natl. Acad. Sci. U.S.A.	2018	115	0	0	
6BM2	29487211	Pol II elongation complex with an abasic lesion at i-1 position	2017-11-13	2018-02-28	Wang, W.,Walmacq, C.,Chong, J.,Kashlev, M.,Wang, D.	Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.	Proc. Natl. Acad. Sci. U.S.A.	2018	115	0	0	
6BQF	29487211	Pol II elongation complex with 'dT-AP' at i+1, i-1 position	2017-11-27	2018-02-28	Wang, W.,Walmacq, C.,Chong, J.,Kashlev, M.,Wang, D.	Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.	Proc. Natl. Acad. Sci. U.S.A.	2018	115	0	0	
6CK7		Crystal structure of a peptide deformylase from Legionella pneumophila bound to actinonin	2018-02-27	2018-03-07	Edwards, T.E.,Horanyi, P.S.,Lorimer, D.D.	Crystal structure of a peptide deformylase from Legionella pneumophila bound to actinonin	To be Published	0	0	0	0	
6B85	29496880	Crystal structure of transmembrane protein TMHC4_R	2017-10-05	2018-03-14	Lu, P.,Min, D.,DiMaio, F.,Wei, K.Y.,Vahey, M.D.,Boyken, S.E.,Chen, Z.,Fallas, J.A.,Ueda, G.,Sheffler, W.,Mulligan, V.K.,Xu, W.,Bowie, J.U.,Baker, D.	Accurate computational design of multipass transmembrane proteins.	Science	2018	359	1042	1046	
6CCL	29498517	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine	2018-02-07	2018-03-14	Moreau, R.J.,Skepper, C.K.,Appleton, B.A.,Blechschmidt, A.,Balibar, C.J.,Benton, B.M.,Drumm, J.E.,Feng, B.Y.,Geng, M.,Li, C.,Lindvall, M.K.,Lingel, A.,Lu, Y.,Mamo, M.,Mergo, W.,Polyakov, V.,Smith, T.M.,Takeoka, K.,Uehara, K.,Wang, L.,Wei, J.R.,Weiss, A.H.,Xie, L.,Xu, W.,Zhang, Q.,de Vicente, J.	Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.	J. Med. Chem.	2018	61	3309	3324	
6CCM	29498517	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one	2018-02-07	2018-03-14	Moreau, R.J.,Skepper, C.K.,Appleton, B.A.,Blechschmidt, A.,Balibar, C.J.,Benton, B.M.,Drumm, J.E.,Feng, B.Y.,Geng, M.,Li, C.,Lindvall, M.K.,Lingel, A.,Lu, Y.,Mamo, M.,Mergo, W.,Polyakov, V.,Smith, T.M.,Takeoka, K.,Uehara, K.,Wang, L.,Wei, J.R.,Weiss, A.H.,Xie, L.,Xu, W.,Zhang, Q.,de Vicente, J.	Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.	J. Med. Chem.	2018	61	3309	3324	
5VZ5	29441070	Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501	2017-05-26	2018-03-21	Toor, J.S.,Rao, A.A.,McShan, A.C.,Yarmarkovich, M.,Nerli, S.,Yamaguchi, K.,Madejska, A.A.,Nguyen, S.,Tripathi, S.,Maris, J.M.,Salama, S.R.,Haussler, D.,Sgourakis, N.G.	A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.	Front Immunol	2018	9	99	99	
6B5P	29554083	Structure of PfCSP peptide 20 with human antibody CIS42	2017-09-29	2018-03-21	Kisalu, N.K.,Idris, A.H.,Weidle, C.,Flores-Garcia, Y.,Flynn, B.J.,Sack, B.K.,Murphy, S.,Schon, A.,Freire, E.,Francica, J.R.,Miller, A.B.,Gregory, J.,March, S.,Liao, H.X.,Haynes, B.F.,Wiehe, K.,Trama, A.M.,Saunders, K.O.,Gladden, M.A.,Monroe, A.,Bonsignori, M.,Kanekiyo, M.,Wheatley, A.K.,McDermott, A.B.,Farney, S.K.,Chuang, G.Y.,Zhang, B.,Kc, N.,Chakravarty, S.,Kwong, P.D.,Sinnis, P.,Bhatia, S.N.,Kappe, S.H.I.,Sim, B.K.L.,Hoffman, S.L.,Zavala, F.,Pancera, M.,Seder, R.A.	A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.	Nat. Med.	2018	24	408	416	
6B5R	29554083	Structure of PfCSP peptide 21 with human antibody CIS42	2017-09-29	2018-03-21	Kisalu, N.K.,Idris, A.H.,Weidle, C.,Flores-Garcia, Y.,Flynn, B.J.,Sack, B.K.,Murphy, S.,Schon, A.,Freire, E.,Francica, J.R.,Miller, A.B.,Gregory, J.,March, S.,Liao, H.X.,Haynes, B.F.,Wiehe, K.,Trama, A.M.,Saunders, K.O.,Gladden, M.A.,Monroe, A.,Bonsignori, M.,Kanekiyo, M.,Wheatley, A.K.,McDermott, A.B.,Farney, S.K.,Chuang, G.Y.,Zhang, B.,Kc, N.,Chakravarty, S.,Kwong, P.D.,Sinnis, P.,Bhatia, S.N.,Kappe, S.H.I.,Sim, B.K.L.,Hoffman, S.L.,Zavala, F.,Pancera, M.,Seder, R.A.	A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.	Nat. Med.	2018	24	408	416	
6B5S	29554083	Structure of PfCSP peptide 25 with human antibody CIS42	2017-09-29	2018-03-21	Kisalu, N.K.,Idris, A.H.,Weidle, C.,Flores-Garcia, Y.,Flynn, B.J.,Sack, B.K.,Murphy, S.,Schon, A.,Freire, E.,Francica, J.R.,Miller, A.B.,Gregory, J.,March, S.,Liao, H.X.,Haynes, B.F.,Wiehe, K.,Trama, A.M.,Saunders, K.O.,Gladden, M.A.,Monroe, A.,Bonsignori, M.,Kanekiyo, M.,Wheatley, A.K.,McDermott, A.B.,Farney, S.K.,Chuang, G.Y.,Zhang, B.,Kc, N.,Chakravarty, S.,Kwong, P.D.,Sinnis, P.,Bhatia, S.N.,Kappe, S.H.I.,Sim, B.K.L.,Hoffman, S.L.,Zavala, F.,Pancera, M.,Seder, R.A.	A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.	Nat. Med.	2018	24	408	416	
6B5T	29554083	Structure of PfCSP peptide 29 with human antibody CIS42	2017-09-29	2018-03-21	Kisalu, N.K.,Idris, A.H.,Weidle, C.,Flores-Garcia, Y.,Flynn, B.J.,Sack, B.K.,Murphy, S.,Schon, A.,Freire, E.,Francica, J.R.,Miller, A.B.,Gregory, J.,March, S.,Liao, H.X.,Haynes, B.F.,Wiehe, K.,Trama, A.M.,Saunders, K.O.,Gladden, M.A.,Monroe, A.,Bonsignori, M.,Kanekiyo, M.,Wheatley, A.K.,McDermott, A.B.,Farney, S.K.,Chuang, G.Y.,Zhang, B.,Kc, N.,Chakravarty, S.,Kwong, P.D.,Sinnis, P.,Bhatia, S.N.,Kappe, S.H.I.,Sim, B.K.L.,Hoffman, S.L.,Zavala, F.,Pancera, M.,Seder, R.A.	A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.	Nat. Med.	2018	24	408	416	
6CKT		Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1	2018-02-28	2018-03-21	Abendroth, J.,Allaire, M.,Mayclin, S.J.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1	to be published	0	0	0	0	
6BOI		Crystal Structure of LdtMt2 (56-408) with a panipenem adduct at the active site cysteine-354	2017-11-20	2018-04-11	Saavedra, H.,Bianchet, M.A.	Structures and Mechanism of Inhibition of Mycobacterium tuberculosis L,D-transpeptidase 2 by Panipenem	To Be Published	0	0	0	0	
6BLA	29669253	Structure of AMM01 Fab, an anti EBV gH/gL neutralizing antibody	2017-11-09	2018-04-25	Snijder, J.,Ortego, M.S.,Weidle, C.,Stuart, A.B.,Gray, M.D.,McElrath, M.J.,Pancera, M.,Veesler, D.,McGuire, A.T.	An Antibody Targeting the Fusion Machinery Neutralizes Dual-Tropic Infection and Defines a Site of Vulnerability on Epstein-Barr Virus.	Immunity	2018	48	799	0	
6CJ5	29526098	Crystal Structure of Mnk2-D228G in Complex With Inhibitor	2018-02-26	2018-05-09	Reich, S.H.,Sprengeler, P.A.,Chiang, G.G.,Appleman, J.R.,Chen, J.,Clarine, J.,Eam, B.,Ernst, J.T.,Han, Q.,Goel, V.K.,Han, E.Z.R.,Huang, V.,Hung, I.N.J.,Jemison, A.,Jessen, K.A.,Molter, J.,Murphy, D.,Neal, M.,Parker, G.S.,Shaghafi, M.,Sperry, S.,Staunton, J.,Stumpf, C.R.,Thompson, P.A.,Tran, C.,Webber, S.E.,Wegerski, C.J.,Zheng, H.,Webster, K.R.	Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.	J. Med. Chem.	2018	61	3516	3540	
6CJE	29526098	Crystal Structure of Mnk2-D228G in complex with Inhibitor	2018-02-26	2018-05-09	Reich, S.H.,Sprengeler, P.A.,Chiang, G.G.,Appleman, J.R.,Chen, J.,Clarine, J.,Eam, B.,Ernst, J.T.,Han, Q.,Goel, V.K.,Han, E.Z.R.,Huang, V.,Hung, I.N.J.,Jemison, A.,Jessen, K.A.,Molter, J.,Murphy, D.,Neal, M.,Parker, G.S.,Shaghafi, M.,Sperry, S.,Staunton, J.,Stumpf, C.R.,Thompson, P.A.,Tran, C.,Webber, S.E.,Wegerski, C.J.,Zheng, H.,Webster, K.R.	Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.	J. Med. Chem.	2018	61	3516	3540	
6CJH	29526098	Co-crystal structure of MNK2 in complex with an inhibitor	2018-02-26	2018-05-09	Reich, S.H.,Sprengeler, P.A.,Chiang, G.G.,Appleman, J.R.,Chen, J.,Clarine, J.,Eam, B.,Ernst, J.T.,Han, Q.,Goel, V.K.,Han, E.Z.R.,Huang, V.,Hung, I.N.J.,Jemison, A.,Jessen, K.A.,Molter, J.,Murphy, D.,Neal, M.,Parker, G.S.,Shaghafi, M.,Sperry, S.,Staunton, J.,Stumpf, C.R.,Thompson, P.A.,Tran, C.,Webber, S.E.,Wegerski, C.J.,Zheng, H.,Webster, K.R.	Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.	J. Med. Chem.	2018	61	3516	3540	
6CJW	29526098	Crystal Structure of Mnk2-D228G in Complex With Inhibitor	2018-02-27	2018-05-09	Reich, S.H.,Sprengeler, P.A.,Chiang, G.G.,Appleman, J.R.,Chen, J.,Clarine, J.,Eam, B.,Ernst, J.T.,Han, Q.,Goel, V.K.,Han, E.Z.R.,Huang, V.,Hung, I.N.J.,Jemison, A.,Jessen, K.A.,Molter, J.,Murphy, D.,Neal, M.,Parker, G.S.,Shaghafi, M.,Sperry, S.,Staunton, J.,Stumpf, C.R.,Thompson, P.A.,Tran, C.,Webber, S.E.,Wegerski, C.J.,Zheng, H.,Webster, K.R.	Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.	J. Med. Chem.	2018	61	3516	3540	
6CK6	29526098	Crystal Structure of Mnk2-D228G in complex with Inhibitor	2018-02-27	2018-05-09	Reich, S.H.,Sprengeler, P.A.,Chiang, G.G.,Appleman, J.R.,Chen, J.,Clarine, J.,Eam, B.,Ernst, J.T.,Han, Q.,Goel, V.K.,Han, E.Z.R.,Huang, V.,Hung, I.N.J.,Jemison, A.,Jessen, K.A.,Molter, J.,Murphy, D.,Neal, M.,Parker, G.S.,Shaghafi, M.,Sperry, S.,Staunton, J.,Stumpf, C.R.,Thompson, P.A.,Tran, C.,Webber, S.E.,Wegerski, C.J.,Zheng, H.,Webster, K.R.	Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.	J. Med. Chem.	2018	61	3516	3540	
5VQL		X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide	2017-05-09	2018-05-16	Li, X.	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide	To Be Published	0	0	0	0	
5U2O	29968680	Crystal structure of Zn-binding triple mutant of GH family 9 endoglucanase J30	2016-11-30	2018-05-30	Ellinghaus, T.L.,Pereira, J.H.,McAndrew, R.P.,Welner, D.H.,DeGiovanni, A.M.,Guenther, J.M.,Tran, H.M.,Feldman, T.,Simmons, B.A.,Sale, K.L.,Adams, P.D.	Engineering glycoside hydrolase stability by the introduction of zinc binding.	Acta Crystallogr D Struct Biol	2018	74	702	710	
6BDD	29757599	Crystal structure of Fe(II) unliganded H-NOX protein from K. algicida	2017-10-22	2018-05-30	Hespen, C.W.,Bruegger, J.J.,Guo, Y.,Marletta, M.A.	Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins.	ACS Chem. Biol.	2018	13	1631	1639	
6BDE	29757599	Crystal structure of Fe(II) unliganded H-NOX protein mutant A71G from K. algicida	2017-10-22	2018-05-30	Hespen, C.W.,Bruegger, J.J.,Guo, Y.,Marletta, M.A.	Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins.	ACS Chem. Biol.	2018	13	1631	1639	
6CB3	29805037	Crystal structure of the L.Lactis YkoY riboswitch bound to cadmium	2018-02-01	2018-06-13	Bachas, S.T.,Ferre-D'Amare, A.R.	Convergent Use of Heptacoordination for Cation Selectivity by RNA and Protein Metalloregulators.	Cell Chem Biol	2018	25	962	0	
6CC1	29805037	Crystal structure of ykoY-alx riboswitch chimera bound to cadmium	2018-02-05	2018-06-13	Bachas, S.T.,Ferre-D'Amare, A.R.	Convergent Use of Heptacoordination for Cation Selectivity by RNA and Protein Metalloregulators.	Cell Chem Biol	2018	25	962	0	
6CC3	29805037	Crystal structure of ykoY-mntP riboswitch chimera bound to cadmium	2018-02-05	2018-06-13	Bachas, S.T.,Ferre-D'Amare, A.R.	Convergent Use of Heptacoordination for Cation Selectivity by RNA and Protein Metalloregulators.	Cell Chem Biol	2018	25	962	0	
6D0J	29941917	Crystal structure of a CLC-type fluoride/proton antiporter	2018-04-10	2018-07-04	Last, N.B.,Stockbridge, R.B.,Wilson, A.E.,Shane, T.,Kolmakova-Partensky, L.,Koide, A.,Koide, S.,Miller, C.	A CLC-type F-/H+antiporter in ion-swapped conformations.	Nat. Struct. Mol. Biol.	2018	25	601	606	
6D0K	29941917	Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant	2018-04-10	2018-07-04	Last, N.B.,Stockbridge, R.B.,Wilson, A.E.,Shane, T.,Kolmakova-Partensky, L.,Koide, A.,Koide, S.,Miller, C.	A CLC-type F-/H+antiporter in ion-swapped conformations.	Nat. Struct. Mol. Biol.	2018	25	601	606	
6DDK	29990496	Crystal structure of the double mutant (D52N/R367Q) of the full-length NT5C2 in the basal state	2018-05-10	2018-07-04	Dieck, C.L.,Tzoneva, G.,Forouhar, F.,Carpenter, Z.,Ambesi-Impiombato, A.,Sanchez-Martin, M.,Kirschner-Schwabe, R.,Lew, S.,Seetharaman, J.,Tong, L.,Ferrando, A.A.	Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.	Cancer Cell	2018	34	136	0	
5VX4	29980685	VP8* of a G2P[4] Human Rotavirus	2017-05-23	2018-07-18	Hu, L.,Sankaran, B.,Laucirica, D.R.,Patil, K.,Salmen, W.,Ferreon, A.C.M.,Tsoi, P.S.,Lasanajak, Y.,Smith, D.F.,Ramani, S.,Atmar, R.L.,Estes, M.K.,Ferreon, J.C.,Prasad, B.V.V.	Glycan recognition in globally dominant human rotaviruses.	Nat Commun	2018	9	2631	2631	
5VX5	29980685	VP8* of a G2P[4] Human Rotavirus in complex with LNFP1	2017-05-23	2018-07-18	Hu, L.,Sankaran, B.,Laucirica, D.R.,Patil, K.,Salmen, W.,Ferreon, A.C.M.,Tsoi, P.S.,Lasanajak, Y.,Smith, D.F.,Ramani, S.,Atmar, R.L.,Estes, M.K.,Ferreon, J.C.,Prasad, B.V.V.	Glycan recognition in globally dominant human rotaviruses.	Nat Commun	2018	9	2631	2631	
5VX8	29980685	VP8* of P[6] Human Rotavirus RV3	2017-05-23	2018-07-18	Hu, L.,Sankaran, B.,Laucirica, D.R.,Patil, K.,Salmen, W.,Ferreon, A.C.M.,Tsoi, P.S.,Lasanajak, Y.,Smith, D.F.,Ramani, S.,Atmar, R.L.,Estes, M.K.,Ferreon, J.C.,Prasad, B.V.V.	Glycan recognition in globally dominant human rotaviruses.	Nat Commun	2018	9	2631	2631	
6AVK		Streptavidin bound to peptide-like compound KPM-6	2017-09-02	2018-08-08	McEnaney, P.,Dickson, P.,Dang, V.,MacConnell, A.,Cavett, V.,Reza, S.,Park, H.,Paegel, B.,Kodadek, T.	Efficient Workflow for Screening DNA-encoded One Bead One Compound Libraries Using a Flow Cytometer	To be Published	0	0	0	0	
6C64	29768001	Crystal Structure of the Mango-II Fluorescent Aptamer Bound to TO3-Biotin	2018-01-17	2018-08-08	Trachman 3rd., R.J.,Abdolahzadeh, A.,Andreoni, A.,Cojocaru, R.,Knutson, J.R.,Ryckelynck, M.,Unrau, P.J.,Ferre-D'Amare, A.R.	Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness.	Biochemistry	2018	57	3544	3548	
6E2Q	30044226	Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor	2018-07-11	2018-08-08	Ferrao, R.D.,Wallweber, H.,Lupardus, P.J.	Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation.	Elife	2018	7	0	0	
6C7D	30070482	Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide	2018-01-22	2018-08-15	Gomez, L.,Xu, R.,Sinko, W.,Selfridge, B.,Vernier, W.,Ly, K.,Truong, R.,Metz, M.,Marrone, T.,Sebring, K.,Yan, Y.,Appleton, B.,Aertgeerts, K.,Massari, M.E.,Breitenbucher, J.G.	Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.	J. Med. Chem.	2018	61	7754	7766	
6C7E	30070482	Crystal structure of human phosphodiesterase 2A with 1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide	2018-01-22	2018-08-15	Gomez, L.,Xu, R.,Sinko, W.,Selfridge, B.,Vernier, W.,Ly, K.,Truong, R.,Metz, M.,Marrone, T.,Sebring, K.,Yan, Y.,Appleton, B.,Aertgeerts, K.,Massari, M.E.,Breitenbucher, J.G.	Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.	J. Med. Chem.	2018	61	7754	7766	
6C7F	30070482	Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-isobutoxy-phenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide	2018-01-22	2018-08-15	Gomez, L.,Xu, R.,Sinko, W.,Selfridge, B.,Vernier, W.,Ly, K.,Truong, R.,Metz, M.,Marrone, T.,Sebring, K.,Yan, Y.,Appleton, B.,Aertgeerts, K.,Massari, M.E.,Breitenbucher, J.G.	Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.	J. Med. Chem.	2018	61	7754	7766	
6C7I	30070482	Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-methoxy-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide	2018-01-22	2018-08-15	Gomez, L.,Xu, R.,Sinko, W.,Selfridge, B.,Vernier, W.,Ly, K.,Truong, R.,Metz, M.,Marrone, T.,Sebring, K.,Yan, Y.,Appleton, B.,Aertgeerts, K.,Massari, M.E.,Breitenbucher, J.G.	Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.	J. Med. Chem.	2018	61	7754	7766	
6C7J	30070482	Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide	2018-01-22	2018-08-15	Gomez, L.,Xu, R.,Sinko, W.,Selfridge, B.,Vernier, W.,Ly, K.,Truong, R.,Metz, M.,Marrone, T.,Sebring, K.,Yan, Y.,Appleton, B.,Aertgeerts, K.,Massari, M.E.,Breitenbucher, J.G.	Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.	J. Med. Chem.	2018	61	7754	7766	
6AUA		CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2625	2017-08-31	2018-09-12	Ortwine, D.	To Be Determined	TO BE PUBLISHED	0	0	0	0	
6E4A	30268702	Crystal structure of human BRD4(1) in complex with CN750	2018-07-17	2018-09-12	Yang, S.M.,Urban, D.J.,Yoshioka, M.,Strovel, J.W.,Fletcher, S.,Wang, A.Q.,Xu, X.,Shah, P.,Hu, X.,Hall, M.D.,Jadhav, A.,Maloney, D.J.	Discovery and lead identification of quinazoline-based BRD4 inhibitors.	Bioorg. Med. Chem. Lett.	2018	28	3483	3488	
6D0T	30209393	De novo design of a fluorescence-activating beta barrel - BB1	2018-04-10	2018-09-19	Dou, J.,Vorobieva, A.A.,Sheffler, W.,Doyle, L.A.,Park, H.,Bick, M.J.,Mao, B.,Foight, G.W.,Lee, M.Y.,Gagnon, L.A.,Carter, L.,Sankaran, B.,Ovchinnikov, S.,Marcos, E.,Huang, P.S.,Vaughan, J.C.,Stoddard, B.L.,Baker, D.	De novo design of a fluorescence-activating beta-barrel.	Nature	2018	561	485	491	
6MFU		Crystal structure of a Guanylate kinase from Cryptococcus neoformans var. grubii serotype A in complex with GDP and ADP	2018-09-12	2018-09-26	Abendroth, J.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal structure of a Guanylate kinase from Cryptococcus neoformans var. grubii serotype A in complex with GDP and ADP	TO BE PUBLISHED	0	0	0	0	
6MG6		Crystal structure of carbon-nitrogen hydrolase from Helicobacter pylori G27	2018-09-13	2018-09-26	Abendroth, J.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal structure of carbon-nitrogen hydrolase from Helicobacter pylori G27	TO BE PUBLISHED	0	0	0	0	
6CYQ	30275013	Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime	2018-04-06	2018-10-10	Patel, M.P.,Hu, L.,Brown, C.A.,Sun, Z.,Adamski, C.J.,Stojanoski, V.,Sankaran, B.,Prasad, B.V.V.,Palzkill, T.	Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.	J. Biol. Chem.	2018	293	17971	17984	
6CYU	30275013	Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime	2018-04-06	2018-10-10	Patel, M.P.,Hu, L.,Brown, C.A.,Sun, Z.,Adamski, C.J.,Stojanoski, V.,Sankaran, B.,Prasad, B.V.V.,Palzkill, T.	Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.	J. Biol. Chem.	2018	293	17971	17984	
6BAG		Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one	2017-10-12	2018-10-17	Wei, B.,Labadie, S.S.,Robarge, K.,Chen, J.,Chen, Z.,Corson, L.B.,Ding, C.Z.,DiPasquale, A.G.,Dragovich, P.S.,Eigenbrot, C.,Evangelista, M.,Fauber, B.P.,Goa, Z.,Ge, H.,Hitz, A.,Ho, Q.,Lai, K.W.,Liu, W.,Liu, Y.,Li, C.,Ma, S.,Malek, S.,O'Brien, T.,Pang, J.,Peterson, D.,Salphati, L.,Sideris, S.,Ultsch, M.,Yen, I.,Yue, Q.,Zhang, H.,Zhou, A.,Purkey, H.E.	Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase	To Be Published	0	0	0	0	
6BAZ		Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one	2017-10-16	2018-10-24	Wei, B.,Labadie, S.S.,Robarge, K.,Chen, J.,Chen, Z.,Corson, L.B.,Ding, C.Z.,DiPasquale, A.G.,Dragovich, P.S.,Eigenbrot, C.,Evangelista, M.,Fauber, B.P.,Goa, Z.,Ge, H.,Hitz, A.,Ho, Q.,Lai, K.W.,Liu, W.,Liu, Y.,Li, C.,Ma, S.,Malek, S.,O'Brien, T.,Pang, J.,Peterson, D.,Salphati, L.,Sideris, S.,Ultsch, M.,Yen, I.,Yue, Q.,Zhang, H.,Zhou, A.,Purkey, H.E.	Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase	To Be Published	0	0	0	0	
6BB1		Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one	2017-10-16	2018-10-24	Wei, B.,Labadie, S.S.,Robarge, K.,Chen, J.,Chen, Z.,Corson, L.B.,Ding, C.Z.,DiPasquale, A.G.,Dragovich, P.S.,Eigenbrot, C.,Evangelista, M.,Fauber, B.P.,Goa, Z.,Ge, H.,Hitz, A.,Ho, Q.,Lai, K.W.,Liu, W.,Liu, Y.,Li, C.,Ma, S.,Malek, S.,O'Brien, T.,Pang, J.,Peterson, D.,Salphati, L.,Sideris, S.,Ultsch, M.,Yen, I.,Yue, Q.,Zhang, H.,Zhou, A.,Purkey, H.E.	Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase	To Be Published	0	0	0	0	
6BB2		Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one	2017-10-16	2018-10-24	Wei, B.,Labadie, S.S.,Robarge, K.,Chen, J.,Chen, Z.,Corson, L.B.,Ding, C.Z.,DiPasquale, A.G.,Dragovich, P.S.,Eigenbrot, C.,Evangelista, M.,Fauber, B.P.,Goa, Z.,Ge, H.,Hitz, A.,Ho, Q.,Lai, K.W.,Liu, W.,Liu, Y.,Li, C.,Ma, S.,Malek, S.,O'Brien, T.,Pang, J.,Peterson, D.,Salphati, L.,Sideris, S.,Ultsch, M.,Yen, I.,Yue, Q.,Zhang, H.,Zhou, A.,Purkey, H.E.	Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase	To Be Published	0	0	0	0	
6BDL		Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in apo state	2017-10-23	2018-10-24	Qin, L.,Sankaran, B.,Casteel, D.,Kim, C.	Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain	to be published	0	0	0	0	
6CWV	30289703	Protein Tyrosine Phosphatase 1B A122S mutant	2018-03-31	2018-10-24	Hjortness, M.K.,Riccardi, L.,Hongdusit, A.,Zwart, P.H.,Sankaran, B.,De Vivo, M.,Fox, J.M.	Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.	Biochemistry	2018	57	6443	6451	
6BG2		Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in AMP-PNP bound state	2017-10-27	2018-10-31	Qin, L.,Sankaran, B.,Casteel, D.,Kim, C.	Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain	to be published	0	0	0	0	
6DZQ	30351002	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid	2018-07-05	2018-11-07	Credille, C.V.,Dick, B.L.,Morrison, C.N.,Stokes, R.W.,Adamek, R.N.,Wu, N.C.,Wilson, I.A.,Cohen, S.M.	Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.	J. Med. Chem.	2018	61	10206	10217	
6E0Q	30351002	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid	2018-07-06	2018-11-07	Credille, C.V.,Dick, B.L.,Morrison, C.N.,Stokes, R.W.,Adamek, R.N.,Wu, N.C.,Wilson, I.A.,Cohen, S.M.	Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.	J. Med. Chem.	2018	61	10206	10217	
6MGP		Structure of human 4-1BB / 4-1BBL complex	2018-09-14	2018-11-14	Kimberlin, C.R.,Chin, S.M.,Roe-Zurz, Z.,Zhang, P.,Xu, A.,Liao-Chan, S.,Debasish, S.,Nager, A.R.,Schirle Oakdale, N.,Brown, C.,Wang, F.,Yang, Y.,Lindquist, K.,Yeung, Y.A.,Salek-Ardakani, S.,Chaparro-Riggers, J.	Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab	Nat Commun	2018	9	4679	4691	
6MEK	30439340	Crystal structure of Hepatitis C virus envelope glycoprotein E2 core in complex with human antibodies HEPC3 and HEPC46	2018-09-06	2018-11-21	Flyak, A.I.,Ruiz, S.,Colbert, M.D.,Luong, T.,Crowe Jr., J.E.,Bailey, J.R.,Bjorkman, P.J.	HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.	Cell Host Microbe	2018	24	703	0	
6MGE	30410017	Structure of human 4-1BBL	2018-09-13	2018-11-21	Chin, S.M.,Kimberlin, C.R.,Roe-Zurz, Z.,Zhang, P.,Xu, A.,Liao-Chan, S.,Sen, D.,Nager, A.R.,Oakdale, N.S.,Brown, C.,Wang, F.,Yang, Y.,Lindquist, K.,Yeung, Y.A.,Salek-Ardakani, S.,Chaparro-Riggers, J.	Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.	Nat Commun	2018	9	4679	4679	
6MI2	30410017	Structure of the human 4-1BB / Utomilumab Fab complex	2018-09-19	2018-11-21	Chin, S.M.,Kimberlin, C.R.,Roe-Zurz, Z.,Zhang, P.,Xu, A.,Liao-Chan, S.,Sen, D.,Nager, A.R.,Oakdale, N.S.,Brown, C.,Wang, F.,Yang, Y.,Lindquist, K.,Yeung, Y.A.,Salek-Ardakani, S.,Chaparro-Riggers, J.	Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.	Nat Commun	2018	9	4679	4679	
6MWE	28838996	CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919	2018-10-29	2018-11-21	Harney, A.S.,Karagiannis, G.S.,Pignatelli, J.,Smith, B.D.,Kadioglu, E.,Wise, S.C.,Hood, M.M.,Kaufman, M.D.,Leary, C.B.,Lu, W.P.,Al-Ani, G.,Chen, X.,Entenberg, D.,Oktay, M.H.,Wang, Y.,Chun, L.,De Palma, M.,Jones, J.G.,Flynn, D.L.,Condeelis, J.S.	The Selective Tie2 Inhibitor Rebastinib Blocks Recruitment and Function of Tie2	Mol. Cancer Ther.	2017	16	2486	2501	
6AUK	30509975	Crystal structure of rotavirus Non Structural protein 2 (NSP2) mutant S313D	2017-09-01	2018-12-05	Criglar, J.M.,Anish, R.,Hu, L.,Crawford, S.E.,Sankaran, B.,Prasad, B.V.V.,Estes, M.K.	Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories.	Proc. Natl. Acad. Sci. U.S.A.	2018	115	0	0	
6C1I	30409975	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907	2018-01-04	2018-12-12	Brust, R.,Shang, J.,Fuhrmann, J.,Mosure, S.A.,Bass, J.,Cano, A.,Heidari, Z.,Chrisman, I.M.,Nemetchek, M.D.,Blayo, A.L.,Griffin, P.R.,Kamenecka, T.M.,Hughes, T.S.,Kojetin, D.J.	A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.	Nat Commun	2018	9	4687	4687	
6NCR		Crystal Structure of Tryptophan-tRNA ligase from Chlamydia trachomatis with bound L-tryptophan	2018-12-12	2018-12-26	Dranow, D.M.,Mayclin, S.J.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of Tryptophan-tRNA ligase from Chlamydia trachomatis with bound L-tryptophan	to be published	0	0	0	0	
6DG5	30626941	Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg	2018-05-16	2019-01-16	Silva, D.A.,Yu, S.,Ulge, U.Y.,Spangler, J.B.,Jude, K.M.,Labao-Almeida, C.,Ali, L.R.,Quijano-Rubio, A.,Ruterbusch, M.,Leung, I.,Biary, T.,Crowley, S.J.,Marcos, E.,Walkey, C.D.,Weitzner, B.D.,Pardo-Avila, F.,Castellanos, J.,Carter, L.,Stewart, L.,Riddell, S.R.,Pepper, M.,Bernardes, G.J.L.,Dougan, M.,Garcia, K.C.,Baker, D.	De novo design of potent and selective mimics of IL-2 and IL-15.	Nature	2019	565	186	191	
6MO9	30606676	N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor	2018-10-04	2019-01-23	Sperandio, D.,Aktoudianakis, V.,Babaoglu, K.,Chen, X.,Elbel, K.,Chin, G.,Corkey, B.,Du, J.,Jiang, B.,Kobayashi, T.,Mackman, R.,Martinez, R.,Yang, H.,Zablocki, J.,Kusam, S.,Jordan, K.,Webb, H.,Bates, J.G.,Lad, L.,Mish, M.,Niedziela-Majka, A.,Metobo, S.,Sapre, A.,Hung, M.,Jin, D.,Fung, W.,Kan, E.,Eisenberg, G.,Larson, N.,Newby, Z.E.R.,Lansdon, E.,Tay, C.,Neve, R.M.,Shevick, S.L.,Breckenridge, D.G.	Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.	Bioorg. Med. Chem.	2019	27	457	469	
6MOA	30606676	C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor	2018-10-04	2019-01-23	Sperandio, D.,Aktoudianakis, V.,Babaoglu, K.,Chen, X.,Elbel, K.,Chin, G.,Corkey, B.,Du, J.,Jiang, B.,Kobayashi, T.,Mackman, R.,Martinez, R.,Yang, H.,Zablocki, J.,Kusam, S.,Jordan, K.,Webb, H.,Bates, J.G.,Lad, L.,Mish, M.,Niedziela-Majka, A.,Metobo, S.,Sapre, A.,Hung, M.,Jin, D.,Fung, W.,Kan, E.,Eisenberg, G.,Larson, N.,Newby, Z.E.R.,Lansdon, E.,Tay, C.,Neve, R.M.,Shevick, S.L.,Breckenridge, D.G.	Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.	Bioorg. Med. Chem.	2019	27	457	469	
6NL8	30938154	Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-zinc	2019-01-08	2019-01-23	Maniaci, B.,Lipper, C.H.,Anipindi, D.L.,Erlandsen, H.,Cole, J.L.,Stec, B.,Huxford, T.,Love, J.J.	Design of High-Affinity Metal-Controlled Protein Dimers.	Biochemistry	2019	58	2199	2207	
6NL9	30938154	Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo	2019-01-08	2019-01-23	Maniaci, B.,Lipper, C.H.,Anipindi, D.L.,Erlandsen, H.,Cole, J.L.,Stec, B.,Huxford, T.,Love, J.J.	Design of High-Affinity Metal-Controlled Protein Dimers.	Biochemistry	2019	58	2199	2207	
6NLA	30938154	Crystal structure of de novo designed metal-controlled dimer of B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-zinc	2019-01-08	2019-01-23	Maniaci, B.,Lipper, C.H.,Anipindi, D.L.,Erlandsen, H.,Cole, J.L.,Stec, B.,Huxford, T.,Love, J.J.	Design of High-Affinity Metal-Controlled Protein Dimers.	Biochemistry	2019	58	2199	2207	
6BX8	30700553	Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)	2017-12-18	2019-02-06	Cohen, I.,Coban, M.,Shahar, A.,Sankaran, B.,Hockla, A.,Lacham, S.,Caulfield, T.R.,Radisky, E.S.,Papo, N.	Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.	J. Biol. Chem.	2019	294	5105	5120	
6NB5	30712865	Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment	2018-12-06	2019-02-06	Walls, A.C.,Xiong, X.,Park, Y.J.,Tortorici, M.A.,Snijder, J.,Quispe, J.,Cameroni, E.,Gopal, R.,Dai, M.,Lanzavecchia, A.,Zambon, M.,Rey, F.A.,Corti, D.,Veesler, D.	Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.	Cell	2019	176	1026	0	
6NB8	30712865	Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment	2018-12-06	2019-02-06	Walls, A.C.,Xiong, X.,Park, Y.J.,Tortorici, M.A.,Snijder, J.,Quispe, J.,Cameroni, E.,Gopal, R.,Dai, M.,Lanzavecchia, A.,Zambon, M.,Rey, F.A.,Corti, D.,Veesler, D.	Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.	Cell	2019	176	1026	0	
6E0K	30787435	Structure of Rhodothermus marinus CdnE c-UMP-AMP synthase	2018-07-06	2019-02-20	Whiteley, A.T.,Eaglesham, J.B.,de Oliveira Mann, C.C.,Morehouse, B.R.,Lowey, B.,Nieminen, E.A.,Danilchanka, O.,King, D.S.,Lee, A.S.Y.,Mekalanos, J.J.,Kranzusch, P.J.	Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.	Nature	2019	567	194	199	
6NHD	30802056	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylazetidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine	2018-12-21	2019-03-13	Do, H.T.,Li, H.,Chreifi, G.,Poulos, T.L.,Silverman, R.B.	Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.	J. Med. Chem.	2019	62	2690	2707	
6NTW	31015395	Crystal structure of E. coli YcbB	2019-01-30	2019-03-20	Caveney, N.A.,Caballero, G.,Voedts, H.,Niciforovic, A.,Worrall, L.J.,Vuckovic, M.,Fonvielle, M.,Hugonnet, J.E.,Arthur, M.,Strynadka, N.C.J.	Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli.	Nat Commun	2019	10	1849	1849	
6E1V	30940810	Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 3: 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine	2018-07-10	2019-04-10	Connelly, C.M.,Numata, T.,Boer, R.E.,Moon, M.H.,Sinniah, R.S.,Barchi, J.J.,Ferre-D'Amare, A.R.,Schneekloth Jr., J.S.	Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.	Nat Commun	2019	10	1501	1501	
6OEA	31235913	Crystal structure of HMCES SRAP domain in complex with longer 3' overhang DNA	2019-03-27	2019-04-10	Halabelian, L.,Ravichandran, M.,Li, Y.,Zeng, H.,Rao, A.,Aravind, L.,Arrowsmith, C.H.	Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.	Nat.Struct.Mol.Biol.	2019	26	607	612	
6OEB	31235913	Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA	2019-03-27	2019-04-10	Halabelian, L.,Ravichandran, M.,Li, Y.,Zeng, H.,Rao, A.,Aravind, L.,Arrowsmith, C.H.	Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.	Nat.Struct.Mol.Biol.	2019	26	607	612	
6OGK	31356990	MeCP2 MBD in complex with DNA	2019-04-02	2019-05-01	Lei, M.,Tempel, W.,Chen, S.,Liu, K.,Min, J.	Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain.	Biochim Biophys Acta Gene Regu	2019	1862	194409	194409	
6OML	31019025	Human BMP chimera BV261	2019-04-18	2019-05-15	Seeherman, H.J.,Berasi, S.P.,Brown, C.T.,Martinez, R.X.,Juo, Z.S.,Jelinsky, S.,Cain, M.J.,Grode, J.,Tumelty, K.E.,Bohner, M.,Grinberg, O.,Orr, N.,Shoseyov, O.,Eyckmans, J.,Chen, C.,Morales, P.R.,Wilson, C.G.,Vanderploeg, E.J.,Wozney, J.M.	A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix.	Sci Transl Med	2019	11	0	0	
6OOV		Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA	2019-04-23	2019-05-15	Halabelian, L.,Zeng, H.,Li, Y.,Bountra, C.,Edwards, A.M.,Arrowsmith, C.H.,Structural Genomics Consortium (SGC)	Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA	To Be Published	0	0	0	0	
6MHI	31117606	Photoactive Yellow Protein with covalently bound 3,5-dichloro-4-hydroxycinnamic acid chromophore	2018-09-18	2019-05-29	Thomson, B.,Both, J.,Wu, Y.,Parrish, R.M.,Martinez, T.J.,Boxer, S.G.	Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.	J.Phys.Chem.B	2019	123	4844	4849	
6MHN	31117606	Photoactive Yellow Protein with covalently bound 3-chloro-4-hydroxycinnamic acid chromophore	2018-09-18	2019-05-29	Thomson, B.,Both, J.,Wu, Y.,Parrish, R.M.,Martinez, T.J.,Boxer, S.G.	Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.	J.Phys.Chem.B	2019	123	4844	4849	
6MOI	31123111	Dimeric DARPin C_angle_R5 complex with EpoR	2018-10-04	2019-06-05	Mohan, K.,Ueda, G.,Kim, A.R.,Jude, K.M.,Fallas, J.A.,Guo, Y.,Hafer, M.,Miao, Y.,Saxton, R.A.,Piehler, J.,Sankaran, V.G.,Baker, D.,Garcia, K.C.	Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.	Science	2019	364	0	0	
6MOJ	31123111	Dimeric DARPin A_angle_R5 complex with EpoR	2018-10-04	2019-06-05	Mohan, K.,Ueda, G.,Kim, A.R.,Jude, K.M.,Fallas, J.A.,Guo, Y.,Hafer, M.,Miao, Y.,Saxton, R.A.,Piehler, J.,Sankaran, V.G.,Baker, D.,Garcia, K.C.	Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.	Science	2019	364	0	0	
6MU4	31170294	Bst DNA polymerase I FANA/DNA binary complex	2018-10-22	2019-06-05	Jackson, L.N.,Chim, N.,Shi, C.,Chaput, J.C.	Crystal structures of a natural DNA polymerase that functions as an XNA reverse transcriptase.	Nucleic Acids Res.	2019	47	6973	6983	
6PED		Crystal structure of HEMK2-TRMT112 complex	2019-06-20	2019-07-03	Dong, C.,Tempel, W.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.M.,Min, J.	Crystal structure of HEMK2-TRMT112 complex	To Be Published	0	0	0	0	
6C9O	31846581	Selenomethionine mutant (V29Sem) of protein GB1 examined by X-ray diffraction	2018-01-28	2019-07-10	Chen, Q.,Xu, S.,Lu, X.,Boeri, M.V.,Pepelyayeva, Y.,Diaz, E.L.,Soni, S.D.,Allaire, M.,Forstner, M.B.,Bahnson, B.J.,Rozovsky, S.	77Se NMR Probes the Protein Environment of Selenomethionine.	J.Phys.Chem.B	2020	0	0	0	
6CHE	31846581	Selenomethionine mutant (A34Sem) of protein GB1 examined by X-ray diffraction	2018-02-22	2019-07-10	Chen, Q.,Xu, S.,Lu, X.,Boeri, M.V.,Pepelyayeva, Y.,Diaz, E.L.,Soni, S.D.,Allaire, M.,Forstner, M.B.,Bahnson, B.J.,Rozovsky, S.	77Se NMR Probes the Protein Environment of Selenomethionine.	J.Phys.Chem.B	2020	124	601	616	
6CNE	31846581	Selenomethionine variant (V29SeM) of protein GB1	2018-03-08	2019-07-10	Chen, Q.,Xu, S.,Lu, X.,Boeri, M.V.,Pepelyayeva, Y.,Diaz, E.L.,Soni, S.D.,Allaire, M.,Forstner, M.B.,Bahnson, B.J.,Rozovsky, S.	77Se NMR Probes the Protein Environment of Selenomethionine.	J.Phys.Chem.B	2020	124	601	616	
6CPZ	31846581	Selenomethionine mutant (I6Sem) of protein GB1 examined by X-ray diffraction	2018-03-14	2019-07-10	Chen, Q.,Xu, S.,Lu, X.,Boeri, M.V.,Pepelyayeva, Y.,Diaz, E.L.,Soni, S.D.,Allaire, M.,Forstner, M.B.,Bahnson, B.J.,Rozovsky, S.	77Se NMR Probes the Protein Environment of Selenomethionine.	J.Phys.Chem.B	2020	124	601	616	
6CTE	31846581	77Se-NMR probes the protein environment of selenomethionine	2018-03-22	2019-07-10	Chen, Q.,Xu, S.,Lu, X.,Boeri, M.V.,Pepelyayeva, Y.,Diaz, E.L.,Soni, S.D.,Allaire, M.,Forstner, M.B.,Bahnson, B.J.,Rozovsky, S.	77Se NMR Probes the Protein Environment of Selenomethionine.	J.Phys.Chem.B	2020	124	601	616	
6DZR	31231031	Crystal structure of h38C2 K99R mutation	2018-07-05	2019-07-10	Hwang, D.,Nilchan, N.,Nanna, A.R.,Li, X.,Cameron, M.D.,Roush, W.R.,Park, H.,Rader, C.	Site-Selective Antibody Functionalization via Orthogonally Reactive Arginine and Lysine Residues.	Cell Chem Biol	2019	26	1229	0	
6NZT	31133531	Crystal structure of HCV NS3/4A protease in complex with voxilaprevir	2019-02-14	2019-07-10	Taylor, J.G.,Zipfel, S.,Ramey, K.,Vivian, R.,Schrier, A.,Karki, K.K.,Katana, A.,Kato, D.,Kobayashi, T.,Martinez, R.,Sangi, M.,Siegel, D.,Tran, C.V.,Yang, Z.Y.,Zablocki, J.,Yang, C.Y.,Wang, Y.,Wang, K.,Chan, K.,Barauskas, O.,Cheng, G.,Jin, D.,Schultz, B.E.,Appleby, T.,Villasenor, A.G.,Link, J.O.	Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.	Bioorg.Med.Chem.Lett.	2019	29	2428	2436	
6E1I		HLA-A*0201 single chain trimer with murine H2K alpha 3 domain and HPV.16 E7 peptide YMLDLQPET	2018-07-09	2019-07-17	Finton, K.A.K.,Rusnac, D.V.	Effects of HLA single chain trimer design on peptide presentation and stability	To Be Published	0	0	0	0	
6E3M	31536340	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid	2018-07-14	2019-07-17	Credille, C.V.,Morrison, C.N.,Stokes, R.W.,Dick, B.L.,Feng, Y.,Sun, J.,Chen, Y.,Cohen, S.M.	SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.	J.Med.Chem.	2019	62	9438	9449	
6E4C	31536340	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid	2018-07-17	2019-07-17	Credille, C.V.,Morrison, C.N.,Stokes, R.W.,Dick, B.L.,Feng, Y.,Sun, J.,Chen, Y.,Cohen, S.M.	SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.	J.Med.Chem.	2019	62	9438	9449	
6OL7	31345931	Crystal structure of glVRC01 scFv in complex with anti-idiotype iv8 scFv	2019-04-15	2019-07-24	Dosenovic, P.,Pettersson, A.K.,Wall, A.,Thientosapol, E.S.,Feng, J.,Weidle, C.,Bhullar, K.,Kara, E.E.,Hartweger, H.,Pai, J.A.,Gray, M.D.,Parks, K.R.,Taylor, J.J.,Pancera, M.,Stamatatos, L.,Nussenzweig, M.C.,McGuire, A.T.	Anti-idiotypic antibodies elicit anti-HIV-1-specific B cell responses.	J.Exp.Med.	2019	216	2316	2330	
6E6V	31536340	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid	2018-07-25	2019-07-31	Credille, C.V.,Morrison, C.N.,Stokes, R.W.,Dick, B.L.,Feng, Y.,Sun, J.,Chen, Y.,Cohen, S.M.	SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.	J.Med.Chem.	2019	62	9438	9449	
6E82	31178406	Crystal structure of the Corn aptamer mutant A14U in complex with ThT	2018-07-27	2019-07-31	Sjekloca, L.,Ferre-D'Amare, A.R.	Binding between G Quadruplexes at the Homodimer Interface of the Corn RNA Aptamer Strongly Activates Thioflavin T Fluorescence.	Cell Chem Biol	2019	26	1159	0	
6E84	31178406	Crystal structure of the Corn aptamer in complex with TO	2018-07-27	2019-07-31	Sjekloca, L.,Ferre-D'Amare, A.R.	Binding between G Quadruplexes at the Homodimer Interface of the Corn RNA Aptamer Strongly Activates Thioflavin T Fluorescence.	Cell Chem Biol	2019	26	1159	0	
6P3W	31309634	Crystal structure of the Cyclin A-CDK2-ORC1 complex	2019-05-24	2019-07-31	Wang, B.,Song, J.	Structural basis for the ORC1-Cyclin A association.	Protein Sci.	2019	28	1727	1733	
6EE7	32406683	Small tetraheme cytochrome c from Shewanella oneidensis	2018-08-13	2019-08-14	Huang, J.,Zarzycki, J.,Gunner, M.R.,Parson, W.W.,Kern, J.F.,Yano, J.,Ducat, D.C.,Kramer, D.M.	Mesoscopic to Macroscopic Electron Transfer by Hopping in a Crystal Network of Cytochromes.	J.Am.Chem.Soc.	2020	142	10459	10467	
6P8B	31402665	E.coli LpxD in complex with peptide FITC-RJPXD33	2019-06-06	2019-08-28	Ma, X.,Prathapam, R.,Wartchow, C.,Chie-Leon, B.,Ho, C.M.,De Vicente, J.,Han, W.,Li, M.,Lu, Y.,Ramurthy, S.,Shia, S.,Steffek, M.,Uehara, T.	Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.	Acs Infect Dis.	2020	6	1480	1489	
6P8Z	31531201	Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor	2019-06-08	2019-08-28	Shin, Y.,Jeong, J.W.,Wurz, R.P.,Achanta, P.,Arvedson, T.,Bartberger, M.D.,Campuzano, I.D.G.,Fucini, R.,Hansen, S.K.,Ingersoll, J.,Iwig, J.S.,Lipford, J.R.,Ma, V.,Kopecky, D.J.,McCarter, J.,San Miguel, T.,Mohr, C.,Sabet, S.,Saiki, A.Y.,Sawayama, A.,Sethofer, S.,Tegley, C.M.,Volak, L.P.,Yang, K.,Lanman, B.A.,Erlanson, D.A.,Cee, V.J.	Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.	Acs Med.Chem.Lett.	2019	10	1302	1308	
6N0P	31059256	BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)	2018-11-07	2019-09-04	Ramurthy, S.,Taft, B.R.,Aversa, R.J.,Barsanti, P.A.,Burger, M.T.,Lou, Y.,Nishiguchi, G.A.,Rico, A.,Setti, L.,Smith, A.,Subramanian, S.,Tamez, V.,Tanner, H.,Wan, L.,Hu, C.,Appleton, B.A.,Mamo, M.,Tandeske, L.,Tellew, J.E.,Huang, S.,Yue, Q.,Chaudhary, A.,Tian, H.,Iyer, R.,Hassan, A.Q.,Mathews Griner, L.A.,La Bonte, L.R.,Cooke, V.G.,Van Abbema, A.,Merritt, H.,Gampa, K.,Feng, F.,Yuan, J.,Mishina, Y.,Wang, Y.,Haling, J.R.,Vaziri, S.,Hekmat-Nejad, M.,Polyakov, V.,Zang, R.,Sethuraman, V.,Amiri, P.,Singh, M.,Sellers, W.R.,Lees, E.,Shao, W.,Dillon, M.P.,Stuart, D.D.	Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.	J.Med.Chem.	2020	63	2013	2027	
6PCU	31403468	VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9	2019-06-18	2019-09-04	Feng, N.,Hu, L.,Ding, S.,Sanyal, M.,Zhao, B.,Sankaran, B.,Ramani, S.,McNeal, M.,Yasukawa, L.L.,Song, Y.,Prasad, B.V.V.,Greenberg, H.B.	Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells.	J.Clin.Invest.	2019	130	3839	3851	
6MF2	31454152	Improved Model of Human Coagulation Factor VIII	2018-09-08	2019-09-11	Smith, I.W.,d'Aquino, A.E.,Coyle, C.W.,Fedanov, A.,Parker, E.T.,Denning, G.,Spencer, H.T.,Lollar, P.,Doering, C.B.,Spiegel Jr., P.C.	The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.	J.Thromb.Haemost.	2020	18	57	69	
6O5D	32647813	PYOCHELIN	2019-03-01	2019-09-11	Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.	Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.	J Struct Biol X	2019	2	100008	100008	
6U1T	31570878	Crystal structure of anti-Nipah virus (NiV) F 5B3 antibody Fab fragment	2019-08-16	2019-10-09	Dang, H.V.,Chan, Y.P.,Park, Y.J.,Snijder, J.,Da Silva, S.C.,Vu, B.,Yan, L.,Feng, Y.R.,Rockx, B.,Geisbert, T.W.,Mire, C.E.,Broder, C.C.,Veesler, D.	An antibody against the F glycoprotein inhibits Nipah and Hendra virus infections.	Nat.Struct.Mol.Biol.	2019	26	980	987	
6PXS	31580513	Crystal structure of iminodiacetate oxidase (IdaA) from Chelativorans sp. BNC1	2019-07-26	2019-10-16	Kang, C.,Jun, S.Y.,Bravo, A.G.,Vargas, E.M.,Liu, H.,Lewis, K.M.,Xun, L.	Structural and biochemical characterization of iminodiacetate oxidase from Chelativorans sp. BNC1.	Mol.Microbiol.	2019	112	1863	1874	
6OIM	31666701	Crystal Structure of human KRAS G12C covalently bound to AMG 510	2019-04-09	2019-11-06	Canon, J.,Rex, K.,Saiki, A.Y.,Mohr, C.,Cooke, K.,Bagal, D.,Gaida, K.,Holt, T.,Knutson, C.G.,Koppada, N.,Lanman, B.A.,Werner, J.,Rapaport, A.S.,San Miguel, T.,Ortiz, R.,Osgood, T.,Sun, J.R.,Zhu, X.,McCarter, J.D.,Volak, L.P.,Houk, B.E.,Fakih, M.G.,O'Neil, B.H.,Price, T.J.,Falchook, G.S.,Desai, J.,Kuo, J.,Govindan, R.,Hong, D.S.,Ouyang, W.,Henary, H.,Arvedson, T.,Cee, V.J.,Lipford, J.R.	The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity.	Nature	2019	575	217	223	
6U85	31675216	Site-specific lysine arylation as an alternative bioconjugation strategy for chemically programmed antibodies and antibody-drug conjugates	2019-09-04	2019-11-13	Hwang, D.,Tsuji, K.,Park, H.,Burke Jr., T.R.,Rader, C.	Site-Specific Lysine Arylation as an Alternative Bioconjugation Strategy for Chemically Programmed Antibodies and Antibody-Drug Conjugates.	Bioconjug.Chem.	2019	30	2889	2896	
6NO8		PIM1 in complex with Cpd9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)	2019-01-15	2019-11-27	Murray, J.M.,Wang, X.	Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma	To be published	0	0	0	0	
6UDU	31736296	X-ray co-crystal structure of compound 8 bound to human Mcl-1	2019-09-19	2019-12-04	Rescourio, G.,Gonzalez, A.Z.,Jabri, S.,Belmontes, B.,Moody, G.,Whittington, D.,Huang, X.,Caenepeel, S.,Cardozo, M.,Cheng, A.C.,Chow, D.,Dou, H.,Jones, A.,Kelly, R.C.,Li, Y.,Lizarzaburu, M.,Lo, M.C.,Mallari, R.,Meleza, C.,Rew, Y.,Simonovich, S.,Sun, D.,Turcotte, S.,Yan, X.,Wong, S.G.,Yanez, E.,Zancanella, M.,Houze, J.,Medina, J.C.,Hughes, P.E.,Brown, S.P.	Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.	J.Med.Chem.	2019	62	10258	10271	
6UVW	32359399	Engineered variant of I-OnuI meganuclease with improved thermostability	2019-11-04	2019-12-18	Lambert, A.R.,Hallinan, J.P.,Werther, R.,Glow, D.,Stoddard, B.L.	Optimization of Protein Thermostability and Exploitation of Recognition Behavior to Engineer Altered Protein-DNA Recognition.	Structure	2020	28	760	0	
6UW0	32359399	Engineered variant of I-OnuI meganuclease with improved thermostability and fully altered specificity targeting cholera toxin A subunit	2019-11-04	2019-12-18	Lambert, A.R.,Hallinan, J.P.,Werther, R.,Glow, D.,Stoddard, B.L.	Optimization of Protein Thermostability and Exploitation of Recognition Behavior to Engineer Altered Protein-DNA Recognition.	Structure	2020	28	760	0	
6UWJ	32359399	Intermediate engineered variant of I-OnuI meganuclease with improved thermostability and partially altered specificity	2019-11-05	2019-12-18	Lambert, A.R.,Hallinan, J.P.,Werther, R.,Glow, D.,Stoddard, B.L.	Optimization of Protein Thermostability and Exploitation of Recognition Behavior to Engineer Altered Protein-DNA Recognition.	Structure	2020	28	760	0	
6NEW		Apo structure of the activated truncation of Vav1	2018-12-18	2019-12-25	Gerspacher, M.,Skaanderup, P.R.	Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity	To Be Published	0	0	0	0	
6NF1		Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity	2018-12-18	2019-12-25	Gerspacher, M.,Skaanderup, P.R.	Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity	To Be Published	0	0	0	0	
6UK0	31872074	HIV-1 M184V reverse transcriptase-DNA complex	2019-10-03	2019-12-25	Hung, M.,Tokarsky, E.J.,Lagpacan, L.,Zhang, L.,Suo, Z.,Lansdon, E.B.	Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.	Commun Biol	2019	2	469	469	
6E7I	32325029	Human ppGalNAcT2 I253A/L310A Mutant with EA2 and UDP	2018-07-26	2020-01-29	Schumann, B.,Malaker, S.A.,Wisnovsky, S.P.,Debets, M.F.,Agbay, A.J.,Fernandez, D.,Wagner, L.J.S.,Lin, L.,Li, Z.,Choi, J.,Fox, D.M.,Peh, J.,Gray, M.A.,Pedram, K.,Kohler, J.J.,Mrksich, M.,Bertozzi, C.R.	Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells.	Mol.Cell	2020	78	824	0	
6VH5		Crystal structure of prephenate dehydratase from brucella melitensis biovar abortus 2308 in complex with phenylalanine	2020-01-09	2020-01-29	Abendroth, J.,Dranow, D.M.,Lorimer, D.D.,Bullen, J.C.,Sankaran, B.,Horanyi, P.S.,Edwards, T.E.	Crystal structure of prephenate dehydratase from Brucella melitensis biovar abortus 2308 in complex with phenylalanine	to be published	0	0	0	0	
6UXI	32014996	Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP-Glycine	2019-11-07	2020-02-12	Korasick, D.A.,Kandoth, P.K.,Tanner, J.J.,Mitchum, M.G.,Beamer, L.J.	Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode.	J.Biol.Chem.	2020	295	3708	3718	
6UZT	32139509	Crystal Structure of RPTP alpha	2019-11-15	2020-03-18	Wen, Y.,Yang, S.,Wakabayashi, K.,Svensson, M.N.D.,Stanford, S.M.,Santelli, E.,Bottini, N.	RPTP alpha phosphatase activity is allosterically regulated by the membrane-distal catalytic domain.	J.Biol.Chem.	2020	295	4923	4936	
6OBC	31931008	Ricin A chain bound to camelid	2019-03-20	2020-04-01	Rudolph, M.J.,Czajka, T.F.,Davis, S.A.,Thi Nguyen, C.M.,Li, X.P.,Tumer, N.E.,Vance, D.J.,Mantis, N.J.	Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.	J.Mol.Biol.	2020	432	1109	1125	
6US3	32184970	MTH1 in complex with compound 4	2019-10-24	2020-04-01	Farand, J.,Kropf, J.E.,Blomgren, P.,Xu, J.,Schmitt, A.C.,Newby, Z.E.,Wang, T.,Murakami, E.,Barauskas, O.,Sudhamsu, J.,Feng, J.Y.,Niedziela-Majka, A.,Schultz, B.E.,Schwartz, K.,Viatchenko-Karpinski, S.,Kornyeyev, D.,Kashishian, A.,Fan, P.,Chen, X.,Lansdon, E.B.,Ports, M.O.,Currie, K.S.,Watkins, W.J.,Notte, G.T.	Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.	Acs Med.Chem.Lett.	2020	11	358	364	
6VW8	32249211	Formate Dehydrogenase FdsABG subcomplex FdsBG from C. necator	2020-02-18	2020-04-08	Young, T.,Niks, D.,Hakopian, S.,Tam, T.K.,Yu, X.,Hille, R.,Blaha, G.M.	Crystallographic and kinetic analyses of the FdsBG subcomplex of the cytosolic formate dehydrogenase FdsABG fromCupriavidus necator.	J.Biol.Chem.	2020	295	6570	6585	
6OKD	32304700	Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide	2019-04-12	2020-04-15	Crook, Z.R.,Girard, E.,Sevilla, G.P.,Merrill, M.,Friend, D.,Rupert, P.B.,Pakiam, F.,Nguyen, E.,Yin, C.,Ruff, R.O.,Hopping, G.,Strand, A.D.,Finton, K.A.K.,Coxon, M.,Mhyre, A.J.,Strong, R.K.,Olson, J.M.	A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.	J.Mol.Biol.	2020	432	3989	4009	
6VVR	32242662	Q0 fused 4-OT wild type symmetric trimer	2020-02-18	2020-04-15	Medellin, B.P.,Lancaster, E.B.,Brown, S.D.,Rakhade, S.,Babbitt, P.C.,Whitman, C.P.,Zhang, Y.J.	Structural Basis for the Asymmetry of a 4-Oxalocrotonate Tautomerase Trimer.	Biochemistry	2020	59	1592	1603	
6VVW	32242662	W0 fused 4-OT wild type symmetric trimer	2020-02-18	2020-04-15	Medellin, B.P.,Lancaster, E.B.,Brown, S.D.,Rakhade, S.,Babbitt, P.C.,Whitman, C.P.,Zhang, Y.J.	Structural Basis for the Asymmetry of a 4-Oxalocrotonate Tautomerase Trimer.	Biochemistry	2020	59	1592	1603	
6V6G	32299911	Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase	2019-12-05	2020-04-22	Brown, C.A.,Hu, L.,Sun, Z.,Patel, M.P.,Singh, S.,Porter, J.R.,Sankaran, B.,Prasad, B.V.V.,Bowman, G.R.,Palzkill, T.	Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.	J.Biol.Chem.	2020	295	7376	7390	
6V83	32299911	Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1	2019-12-10	2020-04-22	Brown, C.A.,Hu, L.,Sun, Z.,Patel, M.P.,Singh, S.,Porter, J.R.,Sankaran, B.,Prasad, B.V.V.,Bowman, G.R.,Palzkill, T.	Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.	J.Biol.Chem.	2020	295	7376	7390	
6PN4	32302123	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine	2019-07-02	2020-04-29	Cinelli, M.A.,Reidl, C.T.,Li, H.,Chreifi, G.,Poulos, T.L.,Silverman, R.B.	First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.	J.Med.Chem.	2020	63	4528	4554	
6PO7	32302123	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine	2019-07-03	2020-04-29	Cinelli, M.A.,Reidl, C.T.,Li, H.,Chreifi, G.,Poulos, T.L.,Silverman, R.B.	First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.	J.Med.Chem.	2020	63	4528	4554	
6P4W		XPB helicase in a complex with truncated Bax1 from Sulfurisphaera tokodaii at 2.96 Angstrom resolution	2019-05-28	2020-06-03	Fan, L.,He, F.,DuPrez, K.T.	XPB helicase in a complex with truncated Bax1 from Sulfurisphaera tokodaii at 2.96 Angstrom resolution	To Be Published	0	0	0	0	
6P7U		CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS	2019-06-06	2020-06-10	Reddy, M.C.M.,Sacchettini, J.C.	Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p	To Be Published	0	0	0	0	
6U8P	32620778	Crystal structure of DNMT3B-DNMT3L in complex with CpGpA DNA	2019-09-05	2020-06-10	Gao, L.,Emperle, M.,Guo, Y.,Grimm, S.A.,Ren, W.,Adam, S.,Uryu, H.,Zhang, Z.M.,Chen, D.,Yin, J.,Dukatz, M.,Anteneh, H.,Jurkowska, R.Z.,Lu, J.,Wang, Y.,Bashtrykov, P.,Wade, P.A.,Wang, G.G.,Jeltsch, A.,Song, J.	Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.	Nat Commun	2020	11	3355	3355	
6U8V	32620778	Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA	2019-09-06	2020-06-10	Gao, L.,Emperle, M.,Guo, Y.,Grimm, S.A.,Ren, W.,Adam, S.,Uryu, H.,Zhang, Z.M.,Chen, D.,Yin, J.,Dukatz, M.,Anteneh, H.,Jurkowska, R.Z.,Lu, J.,Wang, Y.,Bashtrykov, P.,Wade, P.A.,Wang, G.G.,Jeltsch, A.,Song, J.	Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.	Nat Commun	2020	11	3355	3355	
6U90		Crystal structure of DNMT3B(N779A)-DNMT3L in complex with CpGpT DNA	2019-09-06	2020-06-10	Gao, L.	Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms	To Be Published	0	0	0	0	
6U91		Crystal structure of DNMT3B(Q772R)-DNMT3L in complex with CpGpT DNA	2019-09-06	2020-06-10	Gao, L.	Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms	To Be Published	0	0	0	0	
6OQ4		Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi1	2019-04-25	2020-06-24	Lopez-Ramirez, M.A.,McCurdy, S.,Li, W.,Haynes, M.K.,Hale, P.,Francisco, K.,Oukoloff, K.,Bautista, M.,Choi, C.H.,Sun, H.,Gongol, B.,Shyy, J.Y.,Ballatore, C.,Sklar, L.A.,Gingras, A.R.	Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells	Faseb Bioadv	2021	0	0	0	
6X3Y	32539379	Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors	2020-05-21	2020-06-24	Paulsen, J.L.,Yu, H.S.,Sindhikara, D.,Wang, L.,Appleby, T.,Villasenor, A.G.,Schmitz, U.,Shivakumar, D.	Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.	J.Chem.Inf.Model.	2020	60	3489	3498	
6X4M	32539379	Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3)	2020-05-22	2020-06-24	Paulsen, J.L.,Yu, H.S.,Sindhikara, D.,Wang, L.,Appleby, T.,Villasenor, A.G.,Schmitz, U.,Shivakumar, D.	Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.	J.Chem.Inf.Model.	2020	60	3489	3498	
6V2F	32612233	Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207	2019-11-22	2020-07-01	Link, J.O.,Rhee, M.S.,Tse, W.C.,Zheng, J.,Somoza, J.R.,Rowe, W.,Begley, R.,Chiu, A.,Mulato, A.,Hansen, D.,Singer, E.,Tsai, L.K.,Bam, R.A.,Chou, C.H.,Canales, E.,Brizgys, G.,Zhang, J.R.,Li, J.,Graupe, M.,Morganelli, P.,Liu, Q.,Wu, Q.,Halcomb, R.L.,Saito, R.D.,Schroeder, S.D.,Lazerwith, S.E.,Bondy, S.,Jin, D.,Hung, M.,Novikov, N.,Liu, X.,Villasenor, A.G.,Cannizzaro, C.E.,Hu, E.Y.,Anderson, R.L.,Appleby, T.C.,Lu, B.,Mwangi, J.,Liclican, A.,Niedziela-Majka, A.,Papalia, G.A.,Wong, M.H.,Leavitt, S.A.,Xu, Y.,Koditek, D.,Stepan, G.J.,Yu, H.,Pagratis, N.,Clancy, S.,Ahmadyar, S.,Cai, T.Z.,Sellers, S.,Wolckenhauer, S.A.,Ling, J.,Callebaut, C.,Margot, N.,Ram, R.R.,Liu, Y.P.,Hyland, R.,Sinclair, G.I.,Ruane, P.J.,Crofoot, G.E.,McDonald, C.K.,Brainard, D.M.,Lad, L.,Swaminathan, S.,Sundquist, W.I.,Sakowicz, R.,Chester, A.E.,Lee, W.E.,Daar, E.S.,Yant, S.R.,Cihlar, T.	Clinical targeting of HIV capsid protein with a long-acting small molecule.	Nature	2020	584	614	618	
6UX2	32778820	Crystal structure of ZIKV RdRp in complex with STAT2	2019-11-06	2020-07-08	Wang, B.,Thurmond, S.,Zhou, K.,Sanchez-Aparicio, M.T.,Fang, J.,Lu, J.,Gao, L.,Ren, W.,Cui, Y.,Veit, E.C.,Hong, H.,Evans, M.J.,O'Leary, S.E.,Garcia-Sastre, A.,Zhou, Z.H.,Hai, R.,Song, J.	Structural basis for STAT2 suppression by flavivirus NS5.	Nat.Struct.Mol.Biol.	2020	27	875	885	
6XGS		Crystal Structure of Dihydrodipicolinate synthase (DHDPS) from Brucella suis 1330	2020-06-18	2020-07-08	Abendroth, J.,Sankaran, B.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of Dihydrodipicolinate synthase (DHDPS) from Brucella suis 1330	to be published	0	0	0	0	
6PZV	32675241	Crystal Structure of Bovine DNMT1 RFTS domain in complex with H3K9me3 and Ubiquitin	2019-08-01	2020-07-15	Ren, W.,Fan, H.,Grimm, S.A.,Guo, Y.,Kim, J.J.,Yin, J.,Li, L.,Petell, C.J.,Tan, X.F.,Zhang, Z.M.,Coan, J.P.,Gao, L.,Cai, L.,Detrick, B.,Cetin, B.,Cui, Q.,Strahl, B.D.,Gozani, O.,Wang, Y.,Miller, K.M.,O'Leary, S.E.,Wade, P.A.,Patel, D.J.,Wang, G.G.,Song, J.	Direct readout of heterochromatic H3K9me3 regulates DNMT1-mediated maintenance DNA methylation.	Proc.Natl.Acad.Sci.USA	2020	117	18439	18447	
6WMW	32661391	GFRAL receptor bound with two antibody Fabs (3P10, 25M22)	2020-04-21	2020-07-15	Suriben, R.,Chen, M.,Higbee, J.,Oeffinger, J.,Ventura, R.,Li, B.,Mondal, K.,Gao, Z.,Ayupova, D.,Taskar, P.,Li, D.,Starck, S.R.,Chen, H.H.,McEntee, M.,Katewa, S.D.,Phung, V.,Wang, M.,Kekatpure, A.,Lakshminarasimhan, D.,White, A.,Olland, A.,Haldankar, R.,Solloway, M.J.,Hsu, J.Y.,Wang, Y.,Tang, J.,Lindhout, D.A.,Allan, B.B.	Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice.	Nat Med	2020	26	1264	1270	
6PUP	35693892	1.9 A crystal structure of flavodoxin-like domain of Schizosaccharomyces japonicus putative tRNAPhe 4-demethylwyosine synthase Tyw1 in complex with FMN	2019-07-18	2020-07-29	Sjekloca, L.,Ferre-D'Amare, A.R.	Biochemical and structural characterization of the flavodoxin-like domain of the Schizosaccharomyces japonicus putative tRNAPhe 4-demethylwyosine synthase Tyw1 in complex with FMN.	MicroPubl Biol	2022	2022	0	0	
6VEH	32748788	Computationally designed C3-symmetric homotrimer from HEAT repeat protein	2020-01-02	2020-08-05	Ueda, G.,Antanasijevic, A.,Fallas, J.A.,Sheffler, W.,Copps, J.,Ellis, D.,Hutchinson, G.B.,Moyer, A.,Yasmeen, A.,Tsybovsky, Y.,Park, Y.J.,Bick, M.J.,Sankaran, B.,Gillespie, R.A.,Brouwer, P.J.,Zwart, P.H.,Veesler, D.,Kanekiyo, M.,Graham, B.S.,Sanders, R.W.,Moore, J.P.,Klasse, P.J.,Ward, A.B.,King, N.P.,Baker, D.	Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.	Elife	2020	9	0	0	
6VZR	32747782	Engineered TTLL6 bound to the initiation analog	2020-02-28	2020-08-12	Mahalingan, K.K.,Keith Keenan, E.,Strickland, M.,Li, Y.,Liu, Y.,Ball, H.L.,Tanner, M.E.,Tjandra, N.,Roll-Mecak, A.	Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.	Nat.Struct.Mol.Biol.	2020	27	802	813	
6VZT	32747782	TTLL6 bound to ATP	2020-02-28	2020-08-12	Mahalingan, K.K.,Keith Keenan, E.,Strickland, M.,Li, Y.,Liu, Y.,Ball, H.L.,Tanner, M.E.,Tjandra, N.,Roll-Mecak, A.	Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.	Nat.Struct.Mol.Biol.	2020	27	802	813	
7JLT	33999154	Crystal Structure of SARS-CoV-2 NSP7-NSP8 complex.	2020-07-30	2020-08-26	Biswal, M.,Diggs, S.,Xu, D.,Khudaverdyan, N.,Lu, J.,Fang, J.,Blaha, G.,Hai, R.,Song, J.	Two conserved oligomer interfaces of NSP7 and NSP8 underpin the dynamic assembly of SARS-CoV-2 RdRP.	Nucleic Acids Res.	2021	49	5956	5966	
6O7F		Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-isobutyl adenosine	2019-03-07	2020-09-09	Kim, H.-B.,Hung, L.-W.,Terwilliger, T.C.,Kim, C.-Y.	Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-isobutyl adenosine	To Be Published	0	0	0	0	
6XNU	32843560	CRYSTAL STRUCTURE OF CBPB PROTEIN (LMO1009) FROM LISTERIA MONOCYTOGENES	2020-07-04	2020-09-09	Peterson, B.N.,Young, M.K.M.,Luo, S.,Wang, J.,Whiteley, A.T.,Woodward, J.J.,Tong, L.,Wang, J.D.,Portnoy, D.A.	(p)ppGpp and c-di-AMP Homeostasis Is Controlled by CbpB in Listeria monocytogenes.	Mbio	2020	11	0	0	
7JFL	32826280	Crystal structure of human phosphorylated IRF-3 bound to CBP	2020-07-17	2020-09-09	Jing, T.,Zhao, B.,Xu, P.,Gao, X.,Chi, L.,Han, H.,Sankaran, B.,Li, P.	The Structural Basis of IRF-3 Activation upon Phosphorylation.	J Immunol.	2020	205	1886	1896	
7JFM	32826280	Crystal structure of mouse phosphorylated IRF-3 bound to CBP	2020-07-17	2020-09-09	Jing, T.,Zhao, B.,Xu, P.,Gao, X.,Chi, L.,Han, H.,Sankaran, B.,Li, P.	The Structural Basis of IRF-3 Activation upon Phosphorylation.	J Immunol.	2020	205	1886	1896	
6X8X	32830423	Cu-bound structure of an engineered metal-dependent protein trimer, TriCyt1	2020-06-02	2020-09-16	Kakkis, A.,Gagnon, D.,Esselborn, J.,Britt, R.D.,Tezcan, F.A.	Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.	Angew.Chem.Int.Ed.Engl.	2020	59	21940	21944	
6WM7	32486296	Periplasmic EDTA-binding protein EppA, orthorhombic	2020-04-20	2020-11-18	Lewis, K.M.,Greene, C.L.,Sattler, S.A.,Youn, B.,Xun, L.,Kang, C.	The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1.	Int J Mol Sci	2020	21	0	0	
6X1N	32914530	Crystal Structure of Choanoflagellate (Monosiga brevicollis) Dlg1 PDZ3 (mbDLG-3)	2020-05-19	2020-11-25	Gao, M.,Mackley, I.G.P.,Mesbahi-Vasey, S.,Bamonte, H.A.,Struyvenberg, S.A.,Landolt, L.,Pederson, N.J.,Williams, L.I.,Bahl, C.D.,Brooks 3rd, L.,Amacher, J.F.	Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.	Protein Sci.	2020	29	2226	2244	
6X1P	32914530	Crystal Structure of Choanoflagellate (Monosiga brevicollis) Dlg1 PDZ2 (mbDLG-2) in spacegroup I2	2020-05-19	2020-11-25	Gao, M.,Mackley, I.G.P.,Mesbahi-Vasey, S.,Bamonte, H.A.,Struyvenberg, S.A.,Landolt, L.,Pederson, N.J.,Williams, L.I.,Bahl, C.D.,Brooks 3rd, L.,Amacher, J.F.	Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.	Protein Sci.	2020	29	2226	2244	
6X1R	32914530	Crystal Structure of Choanoflagellate (Monosiga brevicollis) Dlg1 PDZ2 (mbDLG-2) in spacegroup P212121	2020-05-19	2020-11-25	Gao, M.,Mackley, I.G.P.,Mesbahi-Vasey, S.,Bamonte, H.A.,Struyvenberg, S.A.,Landolt, L.,Pederson, N.J.,Williams, L.I.,Bahl, C.D.,Brooks 3rd, L.,Amacher, J.F.	Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.	Protein Sci.	2020	29	2226	2244	
6X1X	32914530	PDZ domain from choanoflagellate GIPC (mbGIPC)	2020-05-19	2020-11-25	Gao, M.,Mackley, I.G.P.,Mesbahi-Vasey, S.,Bamonte, H.A.,Struyvenberg, S.A.,Landolt, L.,Pederson, N.J.,Williams, L.I.,Bahl, C.D.,Brooks 3rd, L.,Amacher, J.F.	Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.	Protein Sci.	2020	29	2226	2244	
6X20	32914530	PDZ domain from choanoflagellate GIPC (mbGIPC) bound to B1AR peptide	2020-05-19	2020-11-25	Gao, M.,Mackley, I.G.P.,Mesbahi-Vasey, S.,Bamonte, H.A.,Struyvenberg, S.A.,Landolt, L.,Pederson, N.J.,Williams, L.I.,Bahl, C.D.,Brooks 3rd, L.,Amacher, J.F.	Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.	Protein Sci.	2020	29	2226	2244	
6X22	32914530	PDZ domain from choanoflagellate GIPC (mbGIPC) bound to GAIP peptide	2020-05-19	2020-11-25	Gao, M.,Mackley, I.G.P.,Mesbahi-Vasey, S.,Bamonte, H.A.,Struyvenberg, S.A.,Landolt, L.,Pederson, N.J.,Williams, L.I.,Bahl, C.D.,Brooks 3rd, L.,Amacher, J.F.	Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.	Protein Sci.	2020	29	2226	2244	
6X23	32914530	PDZ domain from choanoflagellate SHANK1 (mbSHANK1) bound to GIRK3 peptide	2020-05-19	2020-11-25	Gao, M.,Mackley, I.G.P.,Mesbahi-Vasey, S.,Bamonte, H.A.,Struyvenberg, S.A.,Landolt, L.,Pederson, N.J.,Williams, L.I.,Bahl, C.D.,Brooks 3rd, L.,Amacher, J.F.	Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.	Protein Sci.	2020	29	2226	2244	
6XK9	33197925	Cereblon in complex with DDB1, CC-90009, and GSPT1	2020-06-25	2020-12-02	Surka, C.,Jin, L.,Mbong, N.,Lu, C.C.,Jang, I.S.,Rychak, E.,Mendy, D.,Clayton, T.,Tindall, E.,Hsu, C.,Fontanillo, C.,Tran, E.,Contreras, A.,Ng, S.W.K.,Matyskiela, M.,Wang, K.,Chamberlain, P.,Cathers, B.,Carmichael, J.,Hansen, J.,Wang, J.C.Y.,Minden, M.D.,Fan, J.,Pierce, D.W.,Pourdehnad, M.,Rolfe, M.,Lopez-Girona, A.,Dick, J.E.,Lu, G.	CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.	Blood	2021	137	661	677	
7K4W	33214289	Crystal structure of Kemp Eliminase HG3.17 in the inactive state	2020-09-16	2020-12-02	Otten, R.,Padua, R.A.P.,Bunzel, H.A.,Nguyen, V.,Pitsawong, W.,Patterson, M.,Sui, S.,Perry, S.L.,Cohen, A.E.,Hilvert, D.,Kern, D.	How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.	Science	2020	370	1442	1446	
6VLW	33053332	Crystal Structure of 426cOD in Complex with VRC01 Fab	2020-01-27	2020-12-09	Lin, Y.R.,Parks, K.R.,Weidle, C.,Naidu, A.S.,Khechaduri, A.,Riker, A.O.,Takushi, B.,Chun, J.H.,Borst, A.J.,Veesler, D.,Stuart, A.,Agrawal, P.,Gray, M.,Pancera, M.,Huang, P.S.,Stamatatos, L.	HIV-1 VRC01 Germline-Targeting Immunogens Select Distinct Epitope-Specific B Cell Receptors.	Immunity	2020	53	840	0	
6PU1		Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide	2019-07-16	2021-01-06	Lindenberger, J.J.,Kvaratskhelia, M.	Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide	To Be Published	0	0	0	0	
7KP7	33495441	asymmetric mTNF-alpha hTNFR1 complex	2020-11-10	2021-01-13	McMillan, D.,Martinez-Fleites, C.,Porter, J.,Fox 3rd, D.,Davis, R.,Mori, P.,Ceska, T.,Carrington, B.,Lawson, A.,Bourne, T.,O'Connell, J.	Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.	Nat Commun	2021	12	582	582	
6VJW	32297632	Crystal structure of WT hMBD4 complexed with T:G mismatch DNA	2020-01-17	2021-01-27	Ouzon-Shubeita, H.,Jung, H.,Lee, M.H.,Koag, M.C.,Lee, S.	Catalytic mechanism of the mismatch-specific DNA glycosylase methyl-CpG-binding domain 4.	Biochem.J.	2020	477	1601	1612	
6VYJ	33441849	Human UHRF1 TTD domain in complex with a fragment	2020-02-26	2021-01-27	Chang, L.,Campbell, J.,Raji, I.O.,Guduru, S.K.R.,Kandel, P.,Nguyen, M.,Liu, S.,Tran, K.,Venugopal, N.K.,Taylor, B.C.,Holt, M.V.,Young, N.L.,Samuel, E.L.G.,Jain, P.,Santini, C.,Sankaran, B.,MacKenzie, K.R.,Young, D.W.	Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.	Sci Rep	2021	11	1121	1121	
6WML	32407112	Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod)	2020-04-21	2021-02-03	Mackman, R.L.,Mish, M.,Chin, G.,Perry, J.K.,Appleby, T.,Aktoudianakis, V.,Metobo, S.,Pyun, P.,Niu, C.,Daffis, S.,Yu, H.,Zheng, J.,Villasenor, A.G.,Zablocki, J.,Chamberlain, J.,Jin, H.,Lee, G.,Suekawa-Pirrone, K.,Santos, R.,Delaney 4th, W.E.,Fletcher, S.P.	Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.	J.Med.Chem.	2020	63	10188	10203	
6X1U	33547238	Structure of pHis Fab (SC39-4) in complex with pHis mimetic peptide	2020-05-19	2021-02-03	Kalagiri, R.,Stanfield, R.L.,Meisenhelder, J.,La Clair, J.J.,Fuhs, S.R.,Wilson, I.A.,Hunter, T.	Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies.	Proc.Natl.Acad.Sci.USA	2021	118	0	0	
7KHQ	33492952	Crystal structure of OXA-48 K73A in complex with meropenem	2020-10-21	2021-02-10	Stojanoski, V.,Hu, L.,Sankaran, B.,Wang, F.,Tao, P.,Prasad, B.V.V.,Palzkill, T.	Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.	Acs Infect Dis.	2021	7	445	460	
7KHY	33492952	Crystal structure of OXA-163 K73A in complex with meropenem	2020-10-22	2021-02-10	Stojanoski, V.,Hu, L.,Sankaran, B.,Wang, F.,Tao, P.,Prasad, B.V.V.,Palzkill, T.	Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.	Acs Infect Dis.	2021	7	445	460	
7KHZ	33492952	Crystal structure of OXA-163 K73A in complex with imipenem	2020-10-22	2021-02-10	Stojanoski, V.,Hu, L.,Sankaran, B.,Wang, F.,Tao, P.,Prasad, B.V.V.,Palzkill, T.	Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.	Acs Infect Dis.	2021	7	445	460	
6W92	33441849	Human UHRF1 TTD domain	2020-03-21	2021-02-24	Chang, L.,Campbell, J.,Raji, I.O.,Guduru, S.K.R.,Kandel, P.,Nguyen, M.,Liu, S.,Tran, K.,Venugopal, N.K.,Taylor, B.C.,Holt, M.V.,Young, N.L.,Samuel, E.L.G.,Jain, P.,Santini, C.,Sankaran, B.,MacKenzie, K.R.,Young, D.W.	Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.	Sci Rep	2021	11	1121	1121	
7KEN	33450156	Protein Tyrosine Phosphatase 1B, D289A mutant, apo state	2020-10-11	2021-03-10	Hongdusit, A.,Fox, J.M.	Optogenetic Analysis of Allosteric Control in Protein Tyrosine Phosphatases.	Biochemistry	2021	60	254	258	
7LTQ		Crystal Structure of a histidine kinase from Burkholderia ambifaria MC40-6	2021-02-19	2021-03-17	Abendroth, J.,Yano, J.K.,Sankaran, B.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of a histidine kinase from Burkholderia ambifaria MC40-6	to be published	0	0	0	0	
7LUY		Crystal Structure of guanylate kinase from Bartonella henselae str. Houston-1	2021-02-23	2021-03-17	Abendroth, J.,Dranow, D.M.,Sankaran, B.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of guanylate kinase from Bartonella henselae str. Houston-1	to be published	0	0	0	0	
6WZR	32795418	Fusibacterium ulcerans ZTP riboswitch bound to p-1-pyridinyl AICA	2020-05-14	2021-03-24	Tran, B.,Pichling, P.,Tenney, L.,Connelly, C.M.,Moon, M.H.,Ferre-D'Amare, A.R.,Schneekloth Jr., J.S.,Jones, C.P.	Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.	Cell Chem Biol	2020	27	1241	0	
7JQD	33715378	Crystal Structure of PAC1r in complex with peptide antagonist	2020-08-10	2021-03-24	Hu, E.,Hong, F.T.,Aral, J.,Long, J.,Piper, D.E.,Poppe, L.,Andrews, K.L.,Hager, T.,Davis, C.,Li, H.,Wong, P.,Gavva, N.,Shi, L.,Zhu, D.X.D.,Lehto, S.G.,Xu, C.,Miranda, L.P.	Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.	J.Med.Chem.	2021	64	3427	3438	
6XCI	33723038	Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D	2020-06-08	2021-03-31	Mulligan, V.K.,Workman, S.,Sun, T.,Rettie, S.,Li, X.,Worrall, L.J.,Craven, T.W.,King, D.T.,Hosseinzadeh, P.,Watkins, A.M.,Renfrew, P.D.,Guffy, S.,Labonte, J.W.,Moretti, R.,Bonneau, R.,Strynadka, N.C.J.,Baker, D.	Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.	Proc.Natl.Acad.Sci.USA	2021	118	0	0	
6XOC	33951425	Crystal structure of glVRC01 Fab in complex with anti-idiotypic iv4 Fab	2020-07-06	2021-03-31	Seydoux, E.,Wan, Y.H.,Feng, J.,Wall, A.,Aljedani, S.,Homad, L.J.,MacCamy, A.J.,Weidle, C.,Gray, M.D.,Brumage, L.,Taylor, J.J.,Pancera, M.,Stamatatos, L.,McGuire, A.T.	Development of a VRC01-class germline targeting immunogen derived from anti-idiotypic antibodies.	Cell Rep	2021	35	109084	109084	
7M3W		Crystal Structure of enoyl-CoA hydratase EchA15 protein from Mycolicibacterium paratuberculosis	2021-03-19	2021-04-07	Abendroth, J.,Sankaran, B.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of enoyl-CoA hydratase EchA15 protein from Mycolicibacterium paratuberculosis	to be published	0	0	0	0	
6WIT	34559844	Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold	2020-04-10	2021-04-14	Aljedani, S.S.,Liban, T.J.,Tran, K.,Phad, G.,Singh, S.,Dubrovskaya, V.,Pushparaj, P.,Martinez-Murillo, P.,Rodarte, J.,Mileant, A.,Mangala Prasad, V.,Kinzelman, R.,O'Dell, S.,Mascola, J.R.,Lee, K.K.,Karlsson Hedestam, G.B.,Wyatt, R.T.,Pancera, M.	Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.	Plos Pathog.	2021	17	0	0	
7KS4	33888587	Thermus Phage P74-26 Large Terminase ATPase domain with partially bound ADP	2020-11-20	2021-05-05	Pajak, J.,Atz, R.,Hilbert, B.J.,Morais, M.C.,Kelch, B.A.,Jardine, P.J.,Arya, G.	Viral packaging ATPases utilize a glutamate switch to couple ATPase activity and DNA translocation.	Proc.Natl.Acad.Sci.USA	2021	118	0	0	
7JI4	33989637	Universal stress protein (USP) domain of KdpD histidine kinase in complex with second messenger c-di-AMP	2020-07-22	2021-05-26	Dutta, A.,Batish, M.,Parashar, V.	Structural basis of KdpD histidine kinase binding to the second messenger c-di-AMP.	J.Biol.Chem.	2021	296	100771	100771	
7M51	33981021	B6 Fab fragment bound to the OC43 spike stem helix peptide	2021-03-22	2021-05-26	Sauer, M.M.,Tortorici, M.A.,Park, Y.J.,Walls, A.C.,Homad, L.,Acton, O.J.,Bowen, J.E.,Wang, C.,Xiong, X.,de van der Schueren, W.,Quispe, J.,Hoffstrom, B.G.,Bosch, B.J.,McGuire, A.T.,Veesler, D.	Structural basis for broad coronavirus neutralization.	Nat.Struct.Mol.Biol.	2021	28	478	486	
7M52	33981021	B6 Fab fragment bound to the HKU4 spike stem helix peptide	2021-03-22	2021-05-26	Sauer, M.M.,Tortorici, M.A.,Park, Y.J.,Walls, A.C.,Homad, L.,Acton, O.J.,Bowen, J.E.,Wang, C.,Xiong, X.,de van der Schueren, W.,Quispe, J.,Hoffstrom, B.G.,Bosch, B.J.,McGuire, A.T.,Veesler, D.	Structural basis for broad coronavirus neutralization.	Nat.Struct.Mol.Biol.	2021	28	478	486	
7M53	33981021	B6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide	2021-03-22	2021-05-26	Sauer, M.M.,Tortorici, M.A.,Park, Y.J.,Walls, A.C.,Homad, L.,Acton, O.J.,Bowen, J.E.,Wang, C.,Xiong, X.,de van der Schueren, W.,Quispe, J.,Hoffstrom, B.G.,Bosch, B.J.,McGuire, A.T.,Veesler, D.	Structural basis for broad coronavirus neutralization.	Nat.Struct.Mol.Biol.	2021	28	478	486	
7M55	33981021	B6 Fab fragment bound to the MERS-CoV spike stem helix peptide	2021-03-22	2021-05-26	Sauer, M.M.,Tortorici, M.A.,Park, Y.J.,Walls, A.C.,Homad, L.,Acton, O.J.,Bowen, J.E.,Wang, C.,Xiong, X.,de van der Schueren, W.,Quispe, J.,Hoffstrom, B.G.,Bosch, B.J.,McGuire, A.T.,Veesler, D.	Structural basis for broad coronavirus neutralization.	Nat.Struct.Mol.Biol.	2021	28	478	486	
6XKD	32726585	Structure of ligand-bound mouse cGAMP hydrolase ENPP1	2020-06-26	2021-06-02	Carozza, J.A.,Brown, J.A.,Bohnert, V.,Fernandez, D.,AlSaif, Y.,Mardjuki, R.E.,Smith, M.,Li, L.	Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.	Cell Chem Biol	2020	27	1347	0	
7N1L		Crystal Structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis biovar Abortus 2308	2021-05-27	2021-06-16	Abendroth, J.,Sankaran, B.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis biovar Abortus 2308	To be published	0	0	0	0	
7N6S		Crystal Structure of deoxyuridine 5'-triphosphate nucleotidohydrolase from Rickettsia prowazekii str. Madrid E in complex with 2'-deoxyuridine 5'-monophoephate (dUMP)	2021-06-09	2021-06-23	Abendroth, J.,deBouver, N.D.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of deoxyuridine 5'-triphosphate nucleotidohydrolase from Rickettsia prowazekii str. Madrid E in complex with 2'-deoxyuridine 5'-monophoephate (dUMP)	to be published	0	0	0	0	
7JIE	34262046	Structure of GII.4 P-domain in Complex with NORO-320 FAB	2020-07-23	2021-06-30	Alvarado, G.,Salmen, W.,Ettayebi, K.,Hu, L.,Sankaran, B.,Estes, M.K.,Venkataram Prasad, B.V.,Crowe Jr., J.E.	Broadly cross-reactive human antibodies that inhibit genogroup I and II noroviruses.	Nat Commun	2021	12	4320	4320	
6XSN	34559844	Crystal structure of NHP VD20.5A4 Fab in complex with 16055 V1V2 1FD6 scaffold	2020-07-15	2021-07-21	Aljedani, S.S.,Liban, T.J.,Tran, K.,Phad, G.,Singh, S.,Dubrovskaya, V.,Pushparaj, P.,Martinez-Murillo, P.,Rodarte, J.,Mileant, A.,Mangala Prasad, V.,Kinzelman, R.,O'Dell, S.,Mascola, J.R.,Lee, K.K.,Karlsson Hedestam, G.B.,Wyatt, R.T.,Pancera, M.	Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.	Plos Pathog.	2021	17	0	0	
7L16	34341464	Crystal structure of sugar-bound melibiose permease MelB	2020-12-14	2021-08-04	Guan, L.,Hariharan, P.	X-ray crystallography reveals molecular recognition mechanism for sugar binding in a melibiose transporter MelB.	Commun Biol	2021	4	931	931	
7L4C	34078593	Crystal structure of the DRM2-CTT DNA complex	2020-12-18	2021-08-04	Fang, J.,Leichter, S.M.,Jiang, J.,Biswal, M.,Lu, J.,Zhang, Z.M.,Ren, W.,Zhai, J.,Cui, Q.,Zhong, X.,Song, J.	Substrate deformation regulates DRM2-mediated DNA methylation in plants.	Sci Adv	2021	7	0	0	
7L4N	34078593	Crystal structure of the DRM2 (C397R)-CCG DNA complex	2020-12-19	2021-08-04	Fang, J.,Leichter, S.M.,Jiang, J.,Biswal, M.,Lu, J.,Zhang, Z.M.,Ren, W.,Zhai, J.,Cui, Q.,Zhong, X.,Song, J.	Substrate deformation regulates DRM2-mediated DNA methylation in plants.	Sci Adv	2021	7	0	0	
7RBQ		Co-crystal structure of human PRMT9 in complex with MT556 inhibitor	2021-07-06	2021-08-11	Zeng, H.,Dong, A.,Hutchinson, A.,Seitova, A.,Li, Y.,Gao, Y.D.,Schneider, S.,Siliphaivanh, P.,Sloman, D.,Nicholson, B.,Fischer, C.,Hicks, J.,Brown, P.J.,Arrowsmith, C.H.,Edwards, A.M.,Halabelian, L.,Structural Genomics Consortium (SGC)	Co-crystal structure of human PRMT9 in complex with MT556 inhibitor	To Be Published	0	0	0	0	
7K9Y	34280434	GsI-IIC RT Template-Switching Complex (twinned)	2020-09-29	2021-08-18	Lentzsch, A.M.,Stamos, J.L.,Yao, J.,Russell, R.,Lambowitz, A.M.	Structural basis for template switching by a group II intron-encoded non-LTR-retroelement reverse transcriptase.	J.Biol.Chem.	2021	297	100971	100971	
6VTX	34552088	Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA	2020-02-13	2021-09-01	Sharma, R.,Choi, K.J.,Quan, M.D.,Sharma, S.,Sankaran, B.,Park, H.,LaGrone, A.,Kim, J.J.,MacKenzie, K.R.,Ferreon, A.C.M.,Kim, C.,Ferreon, J.C.	Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.	Nat Commun	2021	12	5579	5579	
7KUK	34428345	High resolution RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G	2020-11-25	2021-09-08	Giurgiu, C.,Fang, Z.,Aitken, H.R.M.,Kim, S.C.,Pazienza, L.,Mittal, S.,Szostak, J.W.	Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.	Angew.Chem.Int.Ed.Engl.	2021	60	22925	22932	
7KUM	34428345	LNA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G	2020-11-25	2021-09-08	Giurgiu, C.,Fang, Z.,Aitken, H.R.M.,Kim, S.C.,Pazienza, L.,Mittal, S.,Szostak, J.W.	Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.	Angew.Chem.Int.Ed.Engl.	2021	60	22925	22932	
7KUN	34428345	2'-F modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G	2020-11-25	2021-09-08	Giurgiu, C.,Fang, Z.,Aitken, H.R.M.,Kim, S.C.,Pazienza, L.,Mittal, S.,Szostak, J.W.	Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.	Angew.Chem.Int.Ed.Engl.	2021	60	22925	22932	
7KUO	34428345	FANA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G	2020-11-25	2021-09-08	Giurgiu, C.,Fang, Z.,Aitken, H.R.M.,Kim, S.C.,Pazienza, L.,Mittal, S.,Szostak, J.W.	Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.	Angew.Chem.Int.Ed.Engl.	2021	60	22925	22932	
7KUP	34428345	2'-OMe modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G	2020-11-25	2021-09-08	Giurgiu, C.,Fang, Z.,Aitken, H.R.M.,Kim, S.C.,Pazienza, L.,Mittal, S.,Szostak, J.W.	Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.	Angew.Chem.Int.Ed.Engl.	2021	60	22925	22932	
7S0P	36387287	Crystal structure of Porcine Factor VIII C2 Domain Bound to Phosphatidylserine	2021-08-30	2021-10-27	Peters, S.C.,Childers, K.C.,Mitchell, C.E.,Avery, N.G.,Reese Jr., S.S.,Mitchell, C.,Wo, S.W.,Swanson, C.D.,Brison, C.M.,Spiegel Jr., P.C.	Stable binding to phosphatidylserine-containing membranes requires conserved arginine residues in tandem C domains of blood coagulation factor VIII.	Front Mol Biosci	2022	9	1040106	1040106	
7RSV	34779204	Structure of the VPS34 kinase domain with compound 5	2021-08-11	2021-11-24	Hu, D.X.,Patel, S.,Chen, H.,Wang, S.,Staben, S.T.,Dimitrova, Y.N.,Wallweber, H.A.,Lee, J.Y.,Chan, G.K.Y.,Sneeringer, C.J.,Prangley, M.S.,Moffat, J.G.,Wu, K.C.,Schutt, L.K.,Salphati, L.,Pang, J.,McNamara, E.,Huang, H.,Chen, Y.,Wang, Y.,Zhao, W.,Lim, J.,Murthy, A.,Siu, M.	Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.	J.Med.Chem.	2022	65	11500	11512	
7KU4	35661929	DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).	2020-11-24	2021-12-01	Ogbonna, E.N.,Paul, A.,Ross Terrell, J.,Fang, Z.,Chen, C.,Poon, G.M.K.,Boykin, D.W.,Wilson, W.D.	Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.	Bioorg.Med.Chem.	2022	68	116861	116861	
7KWK	35661929	DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).	2020-12-01	2021-12-08	Ogbonna, E.N.,Paul, A.,Ross Terrell, J.,Fang, Z.,Chen, C.,Poon, G.M.K.,Boykin, D.W.,Wilson, W.D.	Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.	Bioorg.Med.Chem.	2022	68	116861	116861	
7R9G	37939088	Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA	2021-06-29	2021-12-15	Grunberg, S.,Doyle, L.A.,Wolf, E.J.,Dai, N.,Correa Jr., I.R.,Yigit, E.,Stoddard, B.L.	The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1.	Plos One	2023	18	0	0	
7SY9		Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1	2021-11-24	2021-12-15	Abendroth, J.,Davies, D.R.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1	to be published	0	0	0	0	
7MLW	34257148	Burkholderia sp. TJI49 Guanidine-I riboswitch	2021-04-29	2022-01-12	Trachman 3rd, R.J.,Ferre-D'Amare, A.R.	An uncommon [K + (Mg 2+ ) 2 ] metal ion triad imparts stability and selectivity to the Guanidine-I riboswitch.	Rna	2021	27	1257	1264	
7RIL	35022237	Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG	2021-07-20	2022-01-12	Oh, J.,Jia, T.,Xu, J.,Chong, J.,Dervan, P.B.,Wang, D.	RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7RIW	35022237	RNA polymerase II elongation complex scaffold 2, without polyamide	2021-07-20	2022-01-12	Oh, J.,Jia, T.,Xu, J.,Chong, J.,Dervan, P.B.,Wang, D.	RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7S54	34939250	Sortase A from Streptococcus agalactiae with the deltaN188 b7-b8 loop sequence from Staphylococcus aureus Sortase A	2021-09-09	2022-01-12	Gao, M.,Johnson, D.A.,Piper, I.M.,Kodama, H.M.,Svendsen, J.E.,Tahti, E.,Longshore-Neate, F.,Vogel, B.,Antos, J.M.,Amacher, J.F.	Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.	Protein Sci.	2022	31	701	715	
7S56	34939250	Sortase A from Streptococcus agalactiae, residues 79-247	2021-09-09	2022-01-12	Gao, M.,Johnson, D.A.,Piper, I.M.,Kodama, H.M.,Svendsen, J.E.,Tahti, E.,Longshore-Neate, F.,Vogel, B.,Antos, J.M.,Amacher, J.F.	Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.	Protein Sci.	2022	31	701	715	
7S57	34939250	Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence of Enterococcus faecalis Sortase A	2021-09-09	2022-01-12	Gao, M.,Johnson, D.A.,Piper, I.M.,Kodama, H.M.,Svendsen, J.E.,Tahti, E.,Longshore-Neate, F.,Vogel, B.,Antos, J.M.,Amacher, J.F.	Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.	Protein Sci.	2022	31	701	715	
7KVU	34937911	Crystal structure of Squash RNA aptamer in complex with DFHBI-1T	2020-11-28	2022-01-19	Truong, L.,Kooshapur, H.,Dey, S.K.,Li, X.,Tjandra, N.,Jaffrey, S.R.,Ferre-D'Amare, A.R.	The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold.	Nat.Chem.Biol.	2022	18	191	198	
7TA9		Crystal Structure of thymidylate synthase from Acinetobacter baumannii	2021-12-20	2022-01-26	Bolejack, M.J.,Dranow, D.M.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of thymidylate synthase from Acinetobacter baumannii	to be published	0	0	0	0	
7T8W	35266806	Structure of antibody 3G12 bound to Respiratory Syncytial Virus G central conserved domain mutant S177Q	2021-12-17	2022-02-09	Nunez Castrejon, A.M.,O'Rourke, S.M.,Kauvar, L.M.,DuBois, R.M.	Structure-Based Design and Antigenic Validation of Respiratory Syncytial Virus G Immunogens.	J.Virol.	2022	96	0	0	
7S5P	35076281	Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibody CS23	2021-09-11	2022-03-09	Reincke, S.M.,Yuan, M.,Kornau, H.C.,Corman, V.M.,van Hoof, S.,Sanchez-Sendin, E.,Ramberger, M.,Yu, W.,Hua, Y.,Tien, H.,Schmidt, M.L.,Schwarz, T.,Jeworowski, L.M.,Brandl, S.E.,Rasmussen, H.F.,Homeyer, M.A.,Stoffler, L.,Barner, M.,Kunkel, D.,Huo, S.,Horler, J.,von Wardenburg, N.,Kroidl, I.,Eser, T.M.,Wieser, A.,Geldmacher, C.,Hoelscher, M.,Ganzer, H.,Weiss, G.,Schmitz, D.,Drosten, C.,Pruss, H.,Wilson, I.A.,Kreye, J.	SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.	Science	2022	375	782	787	
7ULH		Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104	2022-04-04	2022-04-13	Abendroth, J.,Sankaran, B.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104	to be published	0	0	0	0	
7MBJ	35929723	Crystal structure of cGMP dependent protein kinase I alpha (PKG I alpha)CNB-A domain with R177Q mutation	2021-03-31	2022-05-11	Sharma, R.,Kim, J.J.,Qin, L.,Henning, P.,Akimoto, M.,VanSchouwen, B.,Kaur, G.,Sankaran, B.,MacKenzie, K.R.,Melacini, G.,Casteel, D.E.,Herberg, F.W.,Kim, C.W.	An auto-inhibited state of protein kinase G and implications for selective activation.	Elife	2022	11	0	0	
7RCJ	35234138	Crystal structure of ZnuA from Citrobacter koseri	2021-07-07	2022-05-18	Yekwa, E.L.,Serrano, F.A.,Yukl, E.	Conformational flexibility in the zinc solute-binding protein ZnuA.	Acta Crystallogr.,Sect.F	2022	78	128	134	
7U49	35563620	DFC-CTX-M-15	2022-02-28	2022-05-25	Ahmadvand, P.,Avillan, J.J.,Lewis, J.A.,Call, D.R.,Kang, C.	Characterization of Interactions between CTX-M-15 and Clavulanic Acid, Desfuroylceftiofur, Ceftiofur, Ampicillin, and Nitrocefin.	Int J Mol Sci	2022	23	0	0	
7U57	35563620	apo-CTX-M-15	2022-03-01	2022-05-25	Ahmadvand, P.,Avillan, J.J.,Lewis, J.A.,Call, D.R.,Kang, C.	Characterization of Interactions between CTX-M-15 and Clavulanic Acid, Desfuroylceftiofur, Ceftiofur, Ampicillin, and Nitrocefin.	Int J Mol Sci	2022	23	0	0	
8CU5		Crystal Structure of Putative Cyclophilin B from Brugia malayi	2022-05-16	2022-05-25	DeBouver, N.D.,Dranow, D.M.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.	Crystal Structure of Putative Cyclophilin B from Brugia malayi	to be published	0	0	0	0	
7U02	35618312	Structure of the C. crescentus DriD C-domain bound to ssDNA	2022-02-17	2022-06-01	Gozzi, K.,Salinas, R.,Nguyen, V.D.,Laub, M.T.,Schumacher, M.A.	ssDNA is an allosteric regulator of the C. crescentus SOS-independent DNA damage response transcription activator, DriD.	Genes Dev.	2022	36	618	633	
7N4W	35799063	Complex structure of ROTU4 with rotundine	2021-06-04	2022-06-29	d'Oelsnitz, S.,Kim, W.,Burkholder, N.T.,Javanmardi, K.,Thyer, R.,Zhang, Y.,Alper, H.S.,Ellington, A.D.	Using fungible biosensors to evolve improved alkaloid biosyntheses.	Nat.Chem.Biol.	2022	18	981	989	
7N4Z	35799063	Complex structure of NOS4 with noscapine	2021-06-04	2022-06-29	d'Oelsnitz, S.,Kim, W.,Burkholder, N.T.,Javanmardi, K.,Thyer, R.,Zhang, Y.,Alper, H.S.,Ellington, A.D.	Using fungible biosensors to evolve improved alkaloid biosyntheses.	Nat.Chem.Biol.	2022	18	981	989	
7N53	35799063	Complex structure of PAP4 with papaverine	2021-06-04	2022-06-29	d'Oelsnitz, S.,Kim, W.,Burkholder, N.T.,Javanmardi, K.,Thyer, R.,Zhang, Y.,Alper, H.S.,Ellington, A.D.	Using fungible biosensors to evolve improved alkaloid biosyntheses.	Nat.Chem.Biol.	2022	18	981	989	
7N54	35799063	Complex structure of GLAU4 with glaucine	2021-06-04	2022-06-29	d'Oelsnitz, S.,Kim, W.,Burkholder, N.T.,Javanmardi, K.,Thyer, R.,Zhang, Y.,Alper, H.S.,Ellington, A.D.	Using fungible biosensors to evolve improved alkaloid biosyntheses.	Nat.Chem.Biol.	2022	18	981	989	
7RCC		First stage engineered variant of I-OnuI after initial reassembly	2021-07-07	2022-06-29	Werther, R.A.,Ubilla-Rodriguez, N.C.,Smiley, A.T.,Havens, K.,Lambert, A.R.,Stoddard, B.L.	Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease	To Be Published	0	0	0	0	
7RCE		Third stage reengineered variant of I-OnuI with specificity enhancing substitutions	2021-07-07	2022-06-29	Werther, R.A.,Ubilla-Rodriguez, N.C.,Smiley, A.T.,Havens, K.,Lambert, A.R.,Stoddard, B.L.	Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease	To Be Published	0	0	0	0	
7RWV	35642584	Crystal structure of a metal-free RIDC1 variant	2021-08-20	2022-06-29	Kakkis, A.,Golub, E.,Choi, T.S.,Tezcan, F.A.	Redox- and metal-directed structural diversification in designed metalloprotein assemblies.	Chem.Commun.(Camb.)	2022	58	6958	6961	
7SQ3	37875492	Designed trefoil knot protein, variant 1	2021-11-04	2022-06-29	Doyle, L.A.,Takushi, B.,Kibler, R.D.,Milles, L.F.,Orozco, C.T.,Jones, J.D.,Jackson, S.E.,Stoddard, B.L.,Bradley, P.	De novo design of knotted tandem repeat proteins.	Nat Commun	2023	14	6746	6746	
7SQ4	37875492	Designed trefoil knot protein, variant 2	2021-11-04	2022-06-29	Doyle, L.A.,Takushi, B.,Kibler, R.D.,Milles, L.F.,Orozco, C.T.,Jones, J.D.,Jackson, S.E.,Stoddard, B.L.,Bradley, P.	De novo design of knotted tandem repeat proteins.	Nat Commun	2023	14	6746	6746	
7RSW	35513489	Crystal structure of group B human rotavirus VP8*	2021-08-11	2022-07-20	Hu, L.,Salmen, W.,Sankaran, B.,Lasanajak, Y.,Smith, D.F.,Crawford, S.E.,Estes, M.K.,Prasad, B.V.V.	Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography.	Commun Biol	2022	5	419	419	
7SKZ	35857703	Crystal Structure of VN01H1 Fab in complex with SARS-CoV-2 S fusion peptide	2021-10-22	2022-07-20	Low, J.S.,Jerak, J.,Tortorici, M.A.,McCallum, M.,Pinto, D.,Cassotta, A.,Foglierini, M.,Mele, F.,Abdelnabi, R.,Weynand, B.,Noack, J.,Montiel-Ruiz, M.,Bianchi, S.,Benigni, F.,Sprugasci, N.,Joshi, A.,Bowen, J.E.,Stewart, C.,Rexhepaj, M.,Walls, A.C.,Jarrossay, D.,Morone, D.,Paparoditis, P.,Garzoni, C.,Ferrari, P.,Ceschi, A.,Neyts, J.,Purcell, L.A.,Snell, G.,Corti, D.,Lanzavecchia, A.,Veesler, D.,Sallusto, F.	ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.	Science	2022	377	735	742	
7SL5	35857703	Crystal Structure of VP12E7 Fab in complex with SARS-CoV-2 S fusion peptide	2021-10-22	2022-07-20	Low, J.S.,Jerak, J.,Tortorici, M.A.,McCallum, M.,Pinto, D.,Cassotta, A.,Foglierini, M.,Mele, F.,Abdelnabi, R.,Weynand, B.,Noack, J.,Montiel-Ruiz, M.,Bianchi, S.,Benigni, F.,Sprugasci, N.,Joshi, A.,Bowen, J.E.,Stewart, C.,Rexhepaj, M.,Walls, A.C.,Jarrossay, D.,Morone, D.,Paparoditis, P.,Garzoni, C.,Ferrari, P.,Ceschi, A.,Neyts, J.,Purcell, L.A.,Snell, G.,Corti, D.,Lanzavecchia, A.,Veesler, D.,Sallusto, F.	ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.	Science	2022	377	735	742	
7U04	35922441	IOMA class antibody ACS101	2022-02-17	2022-08-24	van Schooten, J.,Farokhi, E.,Schorcht, A.,van den Kerkhof, T.L.G.M.,Gao, H.,van der Woude, P.,Burger, J.A.,Meesters, T.G.R.,Bijl, T.,Ghalaiyini, R.,Turner, H.L.,Dorning, J.,van Schaik, B.D.C.,van Kampen, A.H.C.,Labranche, C.C.,Stanfield, R.L.,Sok, D.,Montefiori, D.C.,Burton, D.R.,Seaman, M.S.,Ozorowski, G.,Wilson, I.A.,Sanders, R.W.,Ward, A.B.,van Gils, M.J.	Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.	Nat Commun	2022	13	4515	4515	
7TQW	36124684	Kod RSGA incorporating PMT, n+2	2022-01-27	2022-08-31	Hajjar, M.,Chim, N.,Liu, C.,Herdewijn, P.,Chaput, J.C.	Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid.	Nucleic Acids Res.	2022	50	9663	9674	
7S4O	36055407	Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide	2021-09-09	2022-09-07	Johnson, D.A.,Piper, I.M.,Vogel, B.A.,Jackson, S.N.,Svendsen, J.E.,Kodama, H.M.,Lee, D.E.,Lindblom, K.M.,McCarty, J.,Antos, J.M.,Amacher, J.F.	Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.	J.Biol.Chem.	2022	298	102446	102446	
7S51	36055407	Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide	2021-09-09	2022-09-07	Johnson, D.A.,Piper, I.M.,Vogel, B.A.,Jackson, S.N.,Svendsen, J.E.,Kodama, H.M.,Lee, D.E.,Lindblom, K.M.,McCarty, J.,Antos, J.M.,Amacher, J.F.	Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.	J.Biol.Chem.	2022	298	102446	102446	
7T8Y	36055407	Structure of Class A sortase from Streptococcus pyogenes bound to lipid II mimetic, LPATA: Thr-in conformation	2021-12-17	2022-09-07	Johnson, D.A.,Piper, I.M.,Vogel, B.A.,Jackson, S.N.,Svendsen, J.E.,Kodama, H.M.,Lee, D.E.,Lindblom, K.M.,McCarty, J.,Antos, J.M.,Amacher, J.F.	Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.	J.Biol.Chem.	2022	298	102446	102446	
7T8Z	36055407	Structure of Class A sortase from Streptococcus pyogenes bound to lipid II mimetic, LPATA: Thr-out conformation	2021-12-17	2022-09-07	Johnson, D.A.,Piper, I.M.,Vogel, B.A.,Jackson, S.N.,Svendsen, J.E.,Kodama, H.M.,Lee, D.E.,Lindblom, K.M.,McCarty, J.,Antos, J.M.,Amacher, J.F.	Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.	J.Biol.Chem.	2022	298	102446	102446	
8D0D	36087583	Human SARM1 TIR domain bound to an NB-7-ADPR adduct	2022-05-26	2022-09-21	Bratkowski, M.,Burdett, T.C.,Danao, J.,Wang, X.,Mathur, P.,Gu, W.,Beckstead, J.A.,Talreja, S.,Yang, Y.S.,Danko, G.,Park, J.H.,Walton, M.,Brown, S.P.,Tegley, C.M.,Joseph, P.R.B.,Reynolds, C.H.,Sambashivan, S.	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.	Neuron	2022	110	3711	0	
8D0E	36087583	Human SARM1 TIR domain bound to NB-7	2022-05-26	2022-09-21	Bratkowski, M.,Burdett, T.C.,Danao, J.,Wang, X.,Mathur, P.,Gu, W.,Beckstead, J.A.,Talreja, S.,Yang, Y.S.,Danko, G.,Park, J.H.,Walton, M.,Brown, S.P.,Tegley, C.M.,Joseph, P.R.B.,Reynolds, C.H.,Sambashivan, S.	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.	Neuron	2022	110	3711	0	
8D0F	36087583	Human SARM1 TIR domain bound to NB-2-ADPR	2022-05-26	2022-09-21	Bratkowski, M.,Burdett, T.C.,Danao, J.,Wang, X.,Mathur, P.,Gu, W.,Beckstead, J.A.,Talreja, S.,Yang, Y.S.,Danko, G.,Park, J.H.,Walton, M.,Brown, S.P.,Tegley, C.M.,Joseph, P.R.B.,Reynolds, C.H.,Sambashivan, S.	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.	Neuron	2022	110	3711	0	
8D0J	36087583	Apo Human SARM1 TIR domain	2022-05-26	2022-09-21	Bratkowski, M.,Burdett, T.C.,Danao, J.,Wang, X.,Mathur, P.,Gu, W.,Beckstead, J.A.,Talreja, S.,Yang, Y.S.,Danko, G.,Park, J.H.,Walton, M.,Brown, S.P.,Tegley, C.M.,Joseph, P.R.B.,Reynolds, C.H.,Sambashivan, S.	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.	Neuron	2022	110	3711	0	
8D0M	36087583	Human CD38 ectodomain bound to a 78c-ADPR adduct	2022-05-26	2022-09-21	Bratkowski, M.,Burdett, T.C.,Danao, J.,Wang, X.,Mathur, P.,Gu, W.,Beckstead, J.A.,Talreja, S.,Yang, Y.S.,Danko, G.,Park, J.H.,Walton, M.,Brown, S.P.,Tegley, C.M.,Joseph, P.R.B.,Reynolds, C.H.,Sambashivan, S.	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.	Neuron	2022	110	3711	0	
8DRZ	36057636	Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp13-nsp14 (C13) cut site sequence	2022-07-21	2022-09-28	Lee, J.,Kenward, C.,Worrall, L.J.,Vuckovic, M.,Gentile, F.,Ton, A.T.,Ng, M.,Cherkasov, A.,Strynadka, N.C.J.,Paetzel, M.	X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.	Nat Commun	2022	13	5196	5196	
7U3B	36192422	Structure of S. venezuelae GlgX bound to c-di-GMP and acarbose (pH 8.5)	2022-02-26	2022-10-05	Schumacher, M.A.,Wormann, M.E.,Henderson, M.,Salinas, R.,Latoscha, A.,Al-Bassam, M.M.,Singh, K.S.,Barclay, E.,Gunka, K.,Tschowri, N.	Allosteric regulation of glycogen breakdown by the second messenger cyclic di-GMP.	Nat Commun	2022	13	5834	5834	
7SI1		Crystal structure of apo EGFR kinase domain	2021-10-12	2022-10-26	Chen, X.,Wendorff, T.,Jao, C.,Kung, J.E.,Liau, N.P.D.,Wu, P.,Yu, C.,Oh, A.,Boenig, G.,Wallweber, H.,Everett, C.,Miu, A.,Brillantes, B.,Mortara, K.,Murray, J.,Koth, C.M.,Sudhamsu, J.	Clearing the Path to Rapid High-Quality Protein Purification	To Be Published	0	0	0	0	
7SQ5	37875492	Designed trefoil knot protein, variant 3	2021-11-04	2022-11-09	Doyle, L.A.,Takushi, B.,Kibler, R.D.,Milles, L.F.,Orozco, C.T.,Jones, J.D.,Jackson, S.E.,Stoddard, B.L.,Bradley, P.	De novo design of knotted tandem repeat proteins.	Nat Commun	2023	14	6746	6746	
7SR0	37207206	Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPET	2021-11-07	2022-11-23	Finton, K.A.K.,Rupert, P.B.,Friend, D.J.,Dinca, A.,Lovelace, E.S.,Buerger, M.,Rusnac, D.V.,Foote-McNabb, U.,Chour, W.,Heath, J.R.,Campbell, J.S.,Pierce, R.H.,Strong, R.K.	Effects of HLA single chain trimer design on peptide presentation and stability.	Front Immunol	2023	14	1170462	1170462	
7SR3	37207206	Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPETTDL	2021-11-07	2022-11-23	Finton, K.A.K.,Rupert, P.B.,Friend, D.J.,Dinca, A.,Lovelace, E.S.,Buerger, M.,Rusnac, D.V.,Foote-McNabb, U.,Chour, W.,Heath, J.R.,Campbell, J.S.,Pierce, R.H.,Strong, R.K.	Effects of HLA single chain trimer design on peptide presentation and stability.	Front Immunol	2023	14	1170462	1170462	
7SR5	37207206	Single chain trimer HLA-A*02:01 (Y108C, A163C) with Wilms tumor protein peptide RMFPNAPYL	2021-11-07	2022-11-23	Finton, K.A.K.,Rupert, P.B.,Friend, D.J.,Dinca, A.,Lovelace, E.S.,Buerger, M.,Rusnac, D.V.,Foote-McNabb, U.,Chour, W.,Heath, J.R.,Campbell, J.S.,Pierce, R.H.,Strong, R.K.	Effects of HLA single chain trimer design on peptide presentation and stability.	Front Immunol	2023	14	1170462	1170462	
7ST3	37207206	Consequences of HLA single chain trimer mutations on peptide presentation and binding affinity	2021-11-11	2022-11-23	Finton, K.A.K.,Rupert, P.B.,Friend, D.J.,Dinca, A.,Lovelace, E.S.,Buerger, M.,Rusnac, D.V.,Foote-McNabb, U.,Chour, W.,Heath, J.R.,Campbell, J.S.,Pierce, R.H.,Strong, R.K.	Effects of HLA single chain trimer design on peptide presentation and stability.	Front Immunol	2023	14	1170462	1170462	
7STG	37207206	Consequences of HLA single chain trimer mutations on peptide presentation and binding affinity	2021-11-12	2022-11-23	Finton, K.A.K.,Rupert, P.B.,Friend, D.J.,Dinca, A.,Lovelace, E.S.,Buerger, M.,Rusnac, D.V.,Foote-McNabb, U.,Chour, W.,Heath, J.R.,Campbell, J.S.,Pierce, R.H.,Strong, R.K.	Effects of HLA single chain trimer design on peptide presentation and stability.	Front Immunol	2023	14	1170462	1170462	
8DVY	36631987	DNA glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site product (AP) and crystalized with calcium acetate	2022-07-30	2022-11-30	Demir, M.,Russelburg, L.P.,Lin, W.J.,Trasvina-Arenas, C.H.,Huang, B.,Yuen, P.K.,Horvath, M.P.,David, S.S.	Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.	Nucleic Acids Res.	2023	51	1034	1049	
8DW4	36631987	Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium	2022-07-31	2022-11-30	Demir, M.,Russelburg, L.P.,Lin, W.J.,Trasvina-Arenas, C.H.,Huang, B.,Yuen, P.K.,Horvath, M.P.,David, S.S.	Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.	Nucleic Acids Res.	2023	51	1034	1049	
7T4J	36423823	Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788	2021-12-10	2022-12-07	Huang, W.S.,Li, F.,Gong, Y.,Zhang, Y.,Youngsaye, W.,Xu, Y.,Zhu, X.,Greenfield, M.T.,Kohlmann, A.,Taslimi, P.M.,Toms, A.,Zech, S.G.,Zhou, T.,Das, B.,Jang, H.G.,Tugnait, M.,Ye, Y.E.,Gonzalvez, F.,Baker, T.E.,Nadworny, S.,Ning, Y.,Wardwell, S.D.,Zhang, S.,Gould, A.E.,Hu, Y.,Lane, W.,Skene, R.J.,Zou, H.,Clackson, T.,Narasimhan, N.I.,Rivera, V.M.,Dalgarno, D.C.,Shakespeare, W.C.	Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.	Bioorg.Med.Chem.Lett.	2022	80	129084	129084	
7U5B	36516271	Structure of Human KLK5 bound to anti-KLK5 Fab	2022-03-02	2022-12-14	Chavarria-Smith, J.,Chiu, C.P.C.,Jackman, J.K.,Yin, J.,Zhang, J.,Hackney, J.A.,Lin, W.Y.,Tyagi, T.,Sun, Y.,Tao, J.,Dunlap, D.,Morton, W.D.,Ghodge, S.V.,Maun, H.R.,Li, H.,Hernandez-Barry, H.,Loyet, K.M.,Chen, E.,Liu, J.,Tam, C.,Yaspan, B.L.,Cai, H.,Balazs, M.,Arron, J.R.,Li, J.,Wittwer, A.J.,Pappu, R.,Austin, C.D.,Lee, W.P.,Lazarus, R.A.,Sudhamsu, J.,Koerber, J.T.,Yi, T.	Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.	Sci Transl Med	2022	14	0	0	
7TC3	36652434	Human APE1 in the apo form	2021-12-22	2022-12-21	Pidugu, L.S.,Servius, H.W.,Sevdalis, S.E.,Cook, M.E.,Varney, K.M.,Pozharski, E.,Drohat, A.C.	Characterizing inhibitors of human AP endonuclease 1.	Plos One	2023	18	0	0	
7UXN	36534810	Structure of PPIA in complex with FP29103, a Helicon Polypeptide	2022-05-05	2022-12-28	Li, K.,Tokareva, O.S.,Thomson, T.M.,Wahl, S.C.T.,Travaline, T.L.,Ramirez, J.D.,Choudary, S.K.,Agarwal, S.,Walkup 4th, W.G.,Olsen, T.J.,Brennan, M.J.,Verdine, G.L.,McGee, J.H.	De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7TCV		VDAC K12E mutant	2021-12-28	2023-01-11	Ngo, V.A.,Martin, M.Q.,Khan, F.,Bergdoll, L.,Abramson, J.,Bezrukov, S.M.,Rostovtseva, T.K.,Hoogerheide, D.P.,Noskov, S.Y.	Dynamical control of the mitochondrial beta-barrel channel VDAC by electrostatic and mechanical coupling	To Be Published	0	0	0	0	
8DJR	36575825	Cytosolic ascorbate peroxidase from Sorghum bicolor	2022-07-01	2023-01-18	Zhang, B.,Lewis, J.A.,Vermerris, W.,Sattler, S.E.,Kang, C.	A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.	Plant Physiol.	2023	192	102	118	
8DJS	36575825	Cytosolic ascorbate peroxidase from Sorghum bicolor - one ascorbate complex	2022-07-01	2023-01-18	Zhang, B.,Lewis, J.A.,Vermerris, W.,Sattler, S.E.,Kang, C.	A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.	Plant Physiol.	2023	192	102	118	
8DJX	36575825	Cytosolic ascorbate peroxidase from Sorghum bicolor - Compound II	2022-07-01	2023-01-18	Zhang, B.,Lewis, J.A.,Vermerris, W.,Sattler, S.E.,Kang, C.	A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.	Plant Physiol.	2023	192	102	118	
8EQ8	36691781	The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y130	2022-10-07	2023-01-25	Zhu, P.,Nguyen, K.T.,Estelle, A.B.,Sluchanko, N.N.,Mehl, R.A.,Cooley, R.B.	Genetic encoding of 3-nitro-tyrosine reveals the impacts of 14-3-3 nitration on client binding and dephosphorylation.	Protein Sci.	2023	32	0	0	
8DH3	36635281	T7 RNA polymerase elongation complex with unnatural base dPa	2022-06-24	2023-02-01	Oh, J.,Kimoto, M.,Xu, H.,Chong, J.,Hirao, I.,Wang, D.	Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.	Nat Commun	2023	14	195	195	
8FF6	36675291	Cytosolic ascorbate peroxidase mutant from Panicum virgatum	2022-12-07	2023-02-01	Zhang, B.,Lewis, J.A.,Kovacs, F.,Sattler, S.E.,Sarath, G.,Kang, C.	Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.	Int J Mol Sci	2023	24	0	0	
8FF7	36675291	Cytosolic ascorbate peroxidase mutant from Panicum virgatum- ascorbate complex	2022-12-07	2023-02-01	Zhang, B.,Lewis, J.A.,Kovacs, F.,Sattler, S.E.,Sarath, G.,Kang, C.	Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.	Int J Mol Sci	2023	24	0	0	
7TXY	37462359	Crystal structure of the 2-Aminophenol 1,6-dioxygenase from the ARO bacterial microcompartment of Micromonospora rosaria	2022-02-10	2023-02-15	Doron, L.,Sutter, M.,Kerfeld, C.A.	Characterization of a novel aromatic substrate-processing microcompartment in Actinobacteria.	Mbio	2023	14	0	0	
8EIL	36794719	C-Terminal Domain of BrxL from Acinetobacter BREX type I phage restriction system	2022-09-15	2023-02-22	Shen, B.W.,Doyle, L.A.,Werther, R.,Westburg, A.A.,Bies, D.P.,Walter, S.I.,Luyten, Y.A.,Morgan, R.D.,Stoddard, B.L.,Kaiser, B.K.	Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor.	Nucleic Acids Res.	2023	51	3513	3528	
8DF1	36683763	Chi3l1 bound by antibody C59	2022-06-21	2023-03-01	Li, L.,Wen, Y.,Wrapp, D.,Jeong, J.,Zhao, P.,Xiong, W.,Atkins, C.L.,Shan, Z.,Hui, D.,McLellan, J.S.,Zhang, N.,Ju, C.,An, Z.	A novel humanized Chi3l1 blocking antibody attenuates acetaminophen-induced liver injury in mice.	Antib Ther	2023	6	1	12	
7U8F	36863346	Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709	2022-03-08	2023-03-08	Bonazzi, S.,d'Hennezel, E.,Beckwith, R.E.J.,Xu, L.,Fazal, A.,Magracheva, A.,Ramesh, R.,Cernijenko, A.,Antonakos, B.,Bhang, H.C.,Caro, R.G.,Cobb, J.S.,Ornelas, E.,Ma, X.,Wartchow, C.A.,Clifton, M.C.,Forseth, R.R.,Fortnam, B.H.,Lu, H.,Csibi, A.,Tullai, J.,Carbonneau, S.,Thomsen, N.M.,Larrow, J.,Chie-Leon, B.,Hainzl, D.,Gu, Y.,Lu, D.,Meyer, M.J.,Alexander, D.,Kinyamu-Akunda, J.,Sabatos-Peyton, C.A.,Dales, N.A.,Zecri, F.J.,Jain, R.K.,Shulok, J.,Wang, Y.K.,Briner, K.,Porter, J.A.,Tallarico, J.A.,Engelman, J.A.,Dranoff, G.,Bradner, J.E.,Visser, M.,Solomon, J.M.	Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.	Cell Chem Biol	2023	30	235	0	
8EIP	36800389	Crystal structure of cyanophycin dipeptide hydrolase CphZ E251A from Acinetobacter baylyi DSM587 in complex with beta-Asp-Arg	2022-09-15	2023-03-08	Sharon, I.,McKay, G.A.,Nguyen, D.,Schmeing, T.M.	Discovery of cyanophycin dipeptide hydrolase enzymes suggests widespread utility of the natural biopolymer cyanophycin.	Proc.Natl.Acad.Sci.USA	2023	120	0	0	
7U4P	38292607	Covalently stabilized triangular trimer composed of Abeta17-36 beta-hairpins	2022-02-28	2023-03-15	Kreutzer, A.G.,Parrocha, C.M.T.,Haerianardakani, S.,Guaglianone, G.,Nguyen, J.T.,Diab, M.N.,Yong, W.,Perez-Rosendahl, M.,Head, E.,Nowick, J.S.	Antibodies Raised Against an A beta Oligomer Mimic Recognize Pathological Features in Alzheimer's Disease and Associated Amyloid-Disease Brain Tissue.	Acs Cent.Sci.	2024	10	104	121	
8EM1	36987874	Type IIS Restriction Endonuclease PaqCI, DNA Unbound	2022-09-26	2023-03-22	Kennedy, M.A.,Hosford, C.J.,Azumaya, C.M.,Luyten, Y.A.,Chen, M.,Morgan, R.D.,Stoddard, B.L.	Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.	Nucleic Acids Res.	2023	51	4467	4487	
8DVL	36893429	Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.18	2022-07-29	2023-03-29	Thakur, A.K.,Miller, S.E.,Liau, N.P.D.,Hwang, S.,Hansen, S.,de Sousa E Melo, F.,Sudhamsu, J.,Hannoush, R.N.	Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.	Acs Chem.Biol.	2023	18	772	784	
8DVM	36893429	Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6	2022-07-29	2023-03-29	Thakur, A.K.,Miller, S.E.,Liau, N.P.D.,Hwang, S.,Hansen, S.,de Sousa E Melo, F.,Sudhamsu, J.,Hannoush, R.N.	Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.	Acs Chem.Biol.	2023	18	772	784	
8CUR	36724382	Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid	2022-05-17	2023-04-05	Tambo, C.S.,Tripathi, S.,Perera, B.G.K.,Maly, D.J.,Bridges, A.J.,Kiss, G.,Rubin, S.M.	Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics.	Acs Chem.Biol.	2023	18	431	440	
8DQN	37221236	Crystal structure of isoaspartyl dipeptidase from Leucothrix mucor DSM2157	2022-07-19	2023-04-26	Sharon, I.,Schmeing, T.M.	Bioinformatics of cyanophycin metabolism genes and characterization of promiscuous isoaspartyl dipeptidases that catalyze the final step of cyanophycin degradation.	Sci Rep	2023	13	8314	8314	
8FI0	37344591	Structure of Lettuce aptamer bound to DFAME	2022-12-15	2023-05-10	Passalacqua, L.F.M.,Banco, M.T.,Moon, J.D.,Li, X.,Jaffrey, S.R.,Ferre-D'Amare, A.R.	Intricate 3D architecture of a DNA mimic of GFP.	Nature	2023	618	1078	1084	
8FO5		Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethan-1-one	2022-12-29	2023-05-24	Yan, N.L.,Wilson, I.A.,Kelly, J.W.	Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity	Isr.J.Chem.	2023	0	0	0	
8FLX		De novo designed homotrimer; the fusion product of BGL17 and DHR59	2022-12-22	2023-06-28	Kibler, R.D.,Kennedy, M.A.,Stoddard, B.L.,Lee, S.	De novo designed homotrimer; the fusion product of BGL17 and DHR59	To Be Published	0	0	0	0	
8SJH	37352018	Zn-Bound Structure of Computationally Designed Homotrimer TP1	2023-04-18	2023-07-05	Hoffnagle, A.M.,Tezcan, F.A.	Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries.	J.Am.Chem.Soc.	2023	145	14208	14214	
8ECR		KRAS4b WT 1-185 bound to GDP-Mg2+	2022-09-02	2023-09-06	Betts, L.,Rossman, K.L.	KRAS4b WT 1-185 bound to GDP-Mg2+	To Be Published	0	0	0	0	
8SSO	37590418	AurA bound to danusertib and inhibiting monobody Mb2	2023-05-08	2023-09-06	Kim, C.,Ludewig, H.,Hadzipasic, A.,Kutter, S.,Nguyen, V.,Kern, D.	A biophysical framework for double-drugging kinases.	Proc.Natl.Acad.Sci.USA	2023	120	0	0	
8ECQ	37722054	Bovine Fab 2G3	2022-09-02	2023-09-20	Huang, R.,Warner Jenkins, G.,Kim, Y.,Stanfield, R.L.,Singh, A.,Martinez-Yamout, M.,Kroon, G.J.,Torres, J.L.,Jackson, A.M.,Kelley, A.,Shaabani, N.,Zeng, B.,Bacica, M.,Chen, W.,Warner, C.,Radoicic, J.,Joh, J.,Dinali Perera, K.,Sang, H.,Kim, T.,Yao, J.,Zhao, F.,Sok, D.,Burton, D.R.,Allen, J.,Harriman, W.,Mwangi, W.,Chung, D.,Teijaro, J.R.,Ward, A.B.,Dyson, H.J.,Wright, P.E.,Wilson, I.A.,Chang, K.O.,McGregor, D.,Smider, V.V.	The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.	Proc.Natl.Acad.Sci.USA	2023	120	0	0	
8FET	37762209	Flavanone 4-Reductase from Sorghum bicolor-NADP(H) complex	2022-12-06	2023-09-20	Lewis, J.A.,Zhang, B.,Harza, R.,Palmer, N.,Sarath, G.,Sattler, S.E.,Twigg, P.,Vermerris, W.,Kang, C.	Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.	Int J Mol Sci	2023	24	0	0	
8FEU	37762209	Flavanone 4-Reductase from Sorghum bicolor-NADP(H) and naringenin complex	2022-12-06	2023-09-20	Lewis, J.A.,Zhang, B.,Harza, R.,Palmer, N.,Sarath, G.,Sattler, S.E.,Twigg, P.,Vermerris, W.,Kang, C.	Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.	Int J Mol Sci	2023	24	0	0	
8FIO	37762209	Hypothetical anthocyanidin reductase from Sorghum bicolor-NADP(H) and naringenin complex	2022-12-16	2023-09-20	Lewis, J.A.,Zhang, B.,Harza, R.,Palmer, N.,Sarath, G.,Sattler, S.E.,Twigg, P.,Vermerris, W.,Kang, C.	Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.	Int J Mol Sci	2023	24	0	0	
8FIP	37762209	Hypothetical anthocyanidin reducatase from Sorghum bicolor- NADP+ complex	2022-12-16	2023-09-20	Lewis, J.A.,Zhang, B.,Harza, R.,Palmer, N.,Sarath, G.,Sattler, S.E.,Twigg, P.,Vermerris, W.,Kang, C.	Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.	Int J Mol Sci	2023	24	0	0	
8SVD	37945601	Structure of M. baixiangningiae DarR-DNA complex reveals novel dimer-of-dimers DNA binding	2023-05-16	2023-11-01	Schumacher, M.A.,Lent, N.,Chen, V.B.,Salinas, R.	Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.	Nat Commun	2023	14	7239	7239	
8T5Y	37945601	Structure of Rhodococcus sp. USK13 DarR(K44A)-cAMP complex	2023-06-14	2023-11-01	Schumacher, M.A.,Lent, N.,Chen, V.B.,Salinas, R.	Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.	Nat Commun	2023	14	7239	7239	
8U8S	37926680	Y229F/S292F Streptomyces coelicolor Laccase	2023-09-18	2023-11-15	Wang, J.X.,Vilbert, A.C.,Cui, C.,Mirts, E.N.,Williams, L.H.,Kim, W.,Jessie Zhang, Y.,Lu, Y.	Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations.	Angew.Chem.Int.Ed.Engl.	2023	62	0	0	
8U8T	37926680	Y229F/V290N Streptomyces coelicolor Laccase	2023-09-18	2023-11-15	Wang, J.X.,Vilbert, A.C.,Cui, C.,Mirts, E.N.,Williams, L.H.,Kim, W.,Jessie Zhang, Y.,Lu, Y.	Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations.	Angew.Chem.Int.Ed.Engl.	2023	62	0	0	
8F5G		NusG-RNA complex	2022-11-14	2023-11-22	Elghondakly, A.T.,Ferre-D'Amare, A.R.	NusG-RNA complex	To Be Published	0	0	0	0	
8T1U	37926286	Crystal structure of the DRM2-CTA DNA complex	2023-06-03	2023-11-22	Chen, J.,Lu, J.,Liu, J.,Fang, J.,Zhong, X.,Song, J.	DNA conformational dynamics in the context-dependent non-CG CHH methylation by plant methyltransferase DRM2.	J.Biol.Chem.	2023	299	105433	105433	
8TYP	38149922	Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide	2023-08-25	2023-11-29	Xu, X.,Herdendorf, T.J.,Duan, H.,Rohlik, D.L.,Roy, S.,Zhou, H.,Alkhateeb, H.,Khandelwal, S.,Zhou, Q.,Li, P.,Arepally, G.M.,Walker, J.K.,Garcia, B.L.,Geisbrecht, B.V.	Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs.	J Immunol.	2024	212	689	701	
8UG1	37992274	Crystal structure of KHK-C and compound 13	2023-10-05	2023-12-06	Durham, T.B.,Hao, J.,Spinazze, P.,Stack, D.R.,Toth, J.L.,Massey, S.,Mbofana, C.T.,Johnston, R.D.,Lineswala, J.P.,Wrobleski, A.,Minguez, J.M.,Perez, C.,Smith, D.L.,Lamar, J.,Leon, R.,Corkins, C.,Durbin, J.,Tung, F.,Guo, S.,Linder, R.J.,Yumibe, N.,Wang, W.,MacKrell, J.,Antonellis, M.,Mascaro, B.	Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.	J.Med.Chem.	2023	66	15960	15976	
8UG3	37992274	Crystal structure of KHK-C and compound 23	2023-10-05	2023-12-06	Durham, T.B.,Hao, J.,Spinazze, P.,Stack, D.R.,Toth, J.L.,Massey, S.,Mbofana, C.T.,Johnston, R.D.,Lineswala, J.P.,Wrobleski, A.,Minguez, J.M.,Perez, C.,Smith, D.L.,Lamar, J.,Leon, R.,Corkins, C.,Durbin, J.,Tung, F.,Guo, S.,Linder, R.J.,Yumibe, N.,Wang, W.,MacKrell, J.,Antonellis, M.,Mascaro, B.	Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.	J.Med.Chem.	2023	66	15960	15976	
8TUC	38009718	Unphosphorylated CaMKK2 in complex with CC-8977	2023-08-16	2023-12-13	Chen, Y.,Whitefield, B.,Nevius, E.,Hill, M.,DelRosario, J.,Sinitsyna, N.,Shanmugasundaram, V.,Mukherjee, D.,Shi, L.,Mayne, C.G.,Rousseau, A.M.,Bernard, S.M.,Buenviaje, J.,Khambatta, G.,El Samin, M.,Wallace, M.,Nie, Z.,Sivakumar, P.,Hamann, L.G.,McDonnell, D.P.,D'Agostino, L.A.	Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2).	J.Med.Chem.	2023	66	15750	15760	
8TWD	38103640	Structure of IraM-bound RssB	2023-08-20	2024-01-10	Brugger, C.,Srirangam, S.,Deaconescu, A.M.	IraM remodels the RssB segmented helical linker to stabilize sigma s against degradation by ClpXP.	J.Biol.Chem.	2023	300	105568	105568	
8FW8	38326294	MtrR from Neisseria gonorrhoeae bound to Progesterone	2023-01-20	2024-01-24	Hooks, G.M.,Ayala, J.C.,Holley, C.L.,Dhulipala, V.,Beggs, G.A.,Perfect, J.R.,Schumacher, M.A.,Shafer, W.M.,Brennan, R.G.	Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.	Nat Commun	2024	15	1153	1153	
8SM6	38198693	Aerobic, Diiron(III)-metalated SfbO	2023-04-25	2024-01-24	Liu, C.,Powell, M.M.,Rao, G.,Britt, R.D.,Rittle, J.	Bioinformatic Discovery of a Cambialistic Monooxygenase.	J.Am.Chem.Soc.	2024	146	1783	1788	
8GC7	38301010	Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide	2023-03-01	2024-01-31	Montoya, S.,Bourcier, J.,Noviski, M.,Lu, H.,Thompson, M.C.,Chirino, A.,Jahn, J.,Sondhi, A.K.,Gajewski, S.,Tan, Y.S.M.,Yung, S.,Urban, A.,Wang, E.,Han, C.,Mi, X.,Kim, W.J.,Sievers, Q.,Auger, P.,Bousquet, H.,Brathaban, N.,Bravo, B.,Gessner, M.,Guiducci, C.,Iuliano, J.N.,Kane, T.,Mukerji, R.,Reddy, P.J.,Powers, J.,Sanchez Garcia de Los Rios, M.,Ye, J.,Barrientos Risso, C.,Tsai, D.,Pardo, G.,Notti, R.Q.,Pardo, A.,Affer, M.,Nawaratne, V.,Totiger, T.M.,Pena-Velasquez, C.,Rhodes, J.M.,Zelenetz, A.D.,Alencar, A.,Roeker, L.E.,Mehta, S.,Garippa, R.,Linley, A.,Soni, R.K.,Skanland, S.S.,Brown, R.J.,Mato, A.R.,Hansen, G.M.,Abdel-Wahab, O.,Taylor, J.	Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.	Science	2024	383	0	0	
8GC8	38301010	Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide	2023-03-01	2024-01-31	Montoya, S.,Bourcier, J.,Noviski, M.,Lu, H.,Thompson, M.C.,Chirino, A.,Jahn, J.,Sondhi, A.K.,Gajewski, S.,Tan, Y.S.M.,Yung, S.,Urban, A.,Wang, E.,Han, C.,Mi, X.,Kim, W.J.,Sievers, Q.,Auger, P.,Bousquet, H.,Brathaban, N.,Bravo, B.,Gessner, M.,Guiducci, C.,Iuliano, J.N.,Kane, T.,Mukerji, R.,Reddy, P.J.,Powers, J.,Sanchez Garcia de Los Rios, M.,Ye, J.,Barrientos Risso, C.,Tsai, D.,Pardo, G.,Notti, R.Q.,Pardo, A.,Affer, M.,Nawaratne, V.,Totiger, T.M.,Pena-Velasquez, C.,Rhodes, J.M.,Zelenetz, A.D.,Alencar, A.,Roeker, L.E.,Mehta, S.,Garippa, R.,Linley, A.,Soni, R.K.,Skanland, S.S.,Brown, R.J.,Mato, A.R.,Hansen, G.M.,Abdel-Wahab, O.,Taylor, J.	Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.	Science	2024	383	0	0	
8U21	38151801	A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP E6	2023-09-05	2024-01-31	Hung, L.W.,Terwilliger, T.C.,Waldo, G.S.,Nguyen, H.B.	Engineering highly stable variants of Corynactis californica green fluorescent proteins.	Protein Sci.	2024	33	0	0	
8U22	38151801	A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP 7	2023-09-05	2024-01-31	Hung, L.W.,Terwilliger, T.C.,Waldo, G.S.,Nguyen, H.B.	Engineering highly stable variants of Corynactis californica green fluorescent proteins.	Protein Sci.	2024	33	0	0	
8TBL	38589574	Tricomplex of RMC-7977, KRAS G12D, and CypA	2023-06-28	2024-02-07	Holderfield, M.,Lee, B.J.,Jiang, J.,Tomlinson, A.,Seamon, K.J.,Mira, A.,Patrucco, E.,Goodhart, G.,Dilly, J.,Gindin, Y.,Dinglasan, N.,Wang, Y.,Lai, L.P.,Cai, S.,Jiang, L.,Nasholm, N.,Shifrin, N.,Blaj, C.,Shah, H.,Evans, J.W.,Montazer, N.,Lai, O.,Shi, J.,Ahler, E.,Quintana, E.,Chang, S.,Salvador, A.,Marquez, A.,Cregg, J.,Liu, Y.,Milin, A.,Chen, A.,Ziv, T.B.,Parsons, D.,Knox, J.E.,Klomp, J.E.,Roth, J.,Rees, M.,Ronan, M.,Cuevas-Navarro, A.,Hu, F.,Lito, P.,Santamaria, D.,Aguirre, A.J.,Waters, A.M.,Der, C.J.,Ambrogio, C.,Wang, Z.,Gill, A.L.,Koltun, E.S.,Smith, J.A.M.,Wildes, D.,Singh, M.	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.	Nature	2024	0	0	0	
8TBM	38589574	Tricomplex of RMC-7977, KRAS G12V, and CypA	2023-06-28	2024-02-07	Holderfield, M.,Lee, B.J.,Jiang, J.,Tomlinson, A.,Seamon, K.J.,Mira, A.,Patrucco, E.,Goodhart, G.,Dilly, J.,Gindin, Y.,Dinglasan, N.,Wang, Y.,Lai, L.P.,Cai, S.,Jiang, L.,Nasholm, N.,Shifrin, N.,Blaj, C.,Shah, H.,Evans, J.W.,Montazer, N.,Lai, O.,Shi, J.,Ahler, E.,Quintana, E.,Chang, S.,Salvador, A.,Marquez, A.,Cregg, J.,Liu, Y.,Milin, A.,Chen, A.,Ziv, T.B.,Parsons, D.,Knox, J.E.,Klomp, J.E.,Roth, J.,Rees, M.,Ronan, M.,Cuevas-Navarro, A.,Hu, F.,Lito, P.,Santamaria, D.,Aguirre, A.J.,Waters, A.M.,Der, C.J.,Ambrogio, C.,Wang, Z.,Gill, A.L.,Koltun, E.S.,Smith, J.A.M.,Wildes, D.,Singh, M.	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.	Nature	2024	0	0	0	
8UFN	38416796	Crystal Structure of neuronal HAstV VA1 capsid spike domain at 2.73 A resolution	2023-10-04	2024-02-14	Ghosh, A.,Delgado-Cunningham, K.,Lopez, T.,Green, K.,Arias, C.F.,DuBois, R.M.	Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.	Plos Pathog.	2024	20	0	0	
8CID		Crystal structure of Oryza sativa UAM 2	2023-02-09	2024-02-21	Fredslund, F.,Adams, P.D.,Welner, D.H.	Crystal structure of Oryza sativa UAM 2	To Be Published	0	0	0	0	
8TKA	38503747	Structure of Orthoreovirus RNA Chaperone SigmaNS R6A mutant	2023-07-25	2024-03-06	Zhao, B.,Hu, L.,Kaundal, S.,Neetu, N.,Lee, C.H.,Somoulay, X.,Sankaran, B.,Taylor, G.M.,Dermody, T.S.,Venkataram Prasad, B.V.	Structure of orthoreovirus RNA chaperone sigma NS, a component of viral replication factories.	Nat Commun	2024	15	2460	2460	
8TL1	38503747	Structure of Orthoreovirus RNA Chaperone SigmaNS N17	2023-07-26	2024-03-06	Zhao, B.,Hu, L.,Kaundal, S.,Neetu, N.,Lee, C.H.,Somoulay, X.,Sankaran, B.,Taylor, G.M.,Dermody, T.S.,Venkataram Prasad, B.V.	Structure of orthoreovirus RNA chaperone sigma NS, a component of viral replication factories.	Nat Commun	2024	15	2460	2460	
8TL8	38503747	Structure of Orthoreovirus RNA Chaperone SigmaNS R6A mutant in complex with bile acid	2023-07-26	2024-03-06	Zhao, B.,Hu, L.,Kaundal, S.,Neetu, N.,Lee, C.H.,Somoulay, X.,Sankaran, B.,Taylor, G.M.,Dermody, T.S.,Venkataram Prasad, B.V.	Structure of orthoreovirus RNA chaperone sigma NS, a component of viral replication factories.	Nat Commun	2024	15	2460	2460	
8VB1	38380945	Crystal structure of HIV-1 protease with GS-9770	2023-12-11	2024-03-06	Mulato, A.,Lansdon, E.,Aoyama, R.,Voigt, J.,Lee, M.,Liclican, A.,Lee, G.,Singer, E.,Stafford, B.,Gong, R.,Murray, B.,Chan, J.,Lee, J.,Xu, Y.,Ahmadyar, S.,Gonzalez, A.,Cho, A.,Stepan, G.J.,Schmitz, U.,Schultz, B.,Marchand, B.,Brumshtein, B.,Wang, R.,Yu, H.,Cihlar, T.,Xu, L.,Yant, S.R.	Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.	Antimicrob.Agents Chemother.	2024	68	0	0	
8SNQ		Streptococcus pyogenes Sortase A (SrtA) with the F145E mutation	2023-04-27	2024-03-13	Kodama, H.M.,Amacher, J.F.	Streptococcus pyogenes Sortase A (SrtA) with the F145E mutation	To Be Published	0	0	0	0	
8T8G	38179192	C208A Streptococcus pyogenes Sortase A (spySrtA) bound to LPALA peptide	2023-06-22	2024-03-13	Vogel, B.A.,Blount, J.M.,Kodama, H.M.,Goodwin-Rice, N.J.,Andaluz, D.J.,Jackson, S.N.,Antos, J.M.,Amacher, J.F.	A unique binding mode of P1' Leu-containing target sequences for Streptococcus pyogenes sortase A results in alternative cleavage.	Rsc Chem Biol	2024	5	30	40	
8U5K		Structure of Mango II aptamer bound to T01-6A	2023-09-12	2024-03-27	Passalacqua, L.F.M.,Ferre-D'Amare, A.R.	Structure of Mango II aptamer bound to T01-6A	To Be Published	0	0	0	0	
8U60		Structure of Mango II variant2 aptamer bound to T01-6A	2023-09-13	2024-03-27	Passalacqua, L.F.M.,Ferre-D'Amare, A.R.	Structure of Mango II variant2 aptamer bound to T01-6A	To Be Published	0	0	0	0	
8VL8		Salmonella enterica Typhimurium taxis to serine and repellents (Tsr) ligand-binding domain with L-Ser, pH 7	2024-01-11	2024-04-03	Glenn, S.,Gentry-Lear, Z.,Shavlik, M.,Harms, M.J.,Asaki, T.J.,Baylink, A.	Human Serum is a Potent Chemoattractant for Enterobacteriaceae Species Associated with Gastrointestinal Bleeding	eLife	2024	0	0	0	
8TFF		PorX with BeF3 phosphate analog	2023-07-11	2024-04-17	Saran, A.,Zeytuni, N.	PorX with BeF3 phosphate analog	To Be Published	0	0	0	0	
8TLZ	38586421	Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys	2023-07-27	2024-04-17	Rupert, P.B.,Buerger, M.,Girard, E.J.,Frutoso, M.,Parrilla, D.,Ng, K.,Gooley, T.,Groh, V.,Strong, R.K.	Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys.	Heliyon	2024	10	0	0	
8TM0	38586421	Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys	2023-07-27	2024-04-17	Rupert, P.B.,Buerger, M.,Girard, E.J.,Frutoso, M.,Parrilla, D.,Ng, K.,Gooley, T.,Groh, V.,Strong, R.K.	Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys.	Heliyon	2024	10	0	0	
8SDE		Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29	2023-04-06	2024-04-24	Lou, X.H.,Zhuang, Y.,Ma, B.B.,Li, X.C.	Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29	To Be Published	0	0	0	0	
8T6E	38502697	Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles	2023-06-15	2024-04-24	de Haas, R.J.,Brunette, N.,Goodson, A.,Dauparas, J.,Yi, S.Y.,Yang, E.C.,Dowling, Q.,Nguyen, H.,Kang, A.,Bera, A.K.,Sankaran, B.,de Vries, R.,Baker, D.,King, N.P.	Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.	Proc.Natl.Acad.Sci.USA	2024	121	0	0	
8UKQ	38393762	RNA polymerase II elongation complex with Fapy-dG lesion in apo state	2023-10-15	2024-04-24	Gao, S.,Hou, P.,Oh, J.,Wang, D.,Greenberg, M.M.	Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.	J.Am.Chem.Soc.	2024	146	6274	6282	
8UKS	38393762	RNA polymerase II elongation complex with Fapy-dG lesion soaking with CTP before chemistry	2023-10-15	2024-04-24	Gao, S.,Hou, P.,Oh, J.,Wang, D.,Greenberg, M.M.	Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.	J.Am.Chem.Soc.	2024	146	6274	6282	
8UKT	38393762	RNA polymerase II elongation complex with Fapy-dG lesion with AMP added	2023-10-15	2024-04-24	Gao, S.,Hou, P.,Oh, J.,Wang, D.,Greenberg, M.M.	Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.	J.Am.Chem.Soc.	2024	146	6274	6282