PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 2IN4 17343378 Crystal Structure of Myoglobin with Charge Neutralized Heme, ZnDMb-dme 2006-10-05 2006-10-31 Wheeler, K.E.,Nocek, J.M.,Cull, D.A.,Yatsunyk, L.A.,Rosenzweig, A.C.,Hoffman, B.M. Dynamic docking of cytochrome b5 with myoglobin and alpha-hemoglobin: heme-neutralization ""squares"" and the binding of electron-transfer-reactive configurations. J.Am.Chem.Soc. 2007 129 3906 3917 2NV6 16906155 Mycobacterium tuberculosis InhA (S94A) bound with INH-NAD adduct 2006-11-10 2006-11-21 Vilcheze, C.,Wang, F.,Arai, M.,Hazbon, M.H.,Colangeli, R.,Kremer, L.,Weisbrod, T.R.,Alland, D.,Sacchettini, J.C.,Jacobs Jr., W.R. Transfer of a point mutation in Mycobacterium tuberculosis inhA resolves the target of isoniazid. NAT.MED. 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Angew.Chem.Int.Ed.Engl. 2007 46 1667 1670 2NSX 17187079 Structure of acid-beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease 2006-11-06 2006-12-26 Lieberman, R.L.,Wustman, B.A.,Huertas, P.,Powe, A.C.,Pine, C.W.,Khanna, R.,Schlossmacher, M.G.,Ringe, D.,Petsko, G.A. Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease. Nat.Chem.Biol. 2007 3 101 107 2NT0 17187079 Acid-beta-glucosidase low pH, glycerol bound 2006-11-06 2006-12-26 Lieberman, R.L.,Wustman, B.A.,Huertas, P.,Powe, A.C.,Pine, C.W.,Khanna, R.,Schlossmacher, M.G.,Ringe, D.,Petsko, G.A. Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease. Nat.Chem.Biol. 2007 3 101 107 2NT1 17187079 Structure of acid-beta-glucosidase at neutral pH 2006-11-06 2006-12-26 Lieberman, R.L.,Wustman, B.A.,Huertas, P.,Powe, A.C.,Pine, C.W.,Khanna, R.,Schlossmacher, M.G.,Ringe, D.,Petsko, G.A. Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease. Nat.Chem.Biol. 2007 3 101 107 2H9I 17227913 Mycobacterium tuberculosis InhA bound with ETH-NAD adduct 2006-06-09 2007-01-30 Wang, F.,Langley, R.,Gulten, G.,Dover, L.G.,Besra, G.S.,Jacobs, W.R.,Sacchettini, J.C. Mechanism of thioamide drug action against tuberculosis and leprosy. J.Exp.Med. 2007 204 73 78 2NTV 17227913 Mycobacterium leprae InhA bound with PTH-NAD adduct 2006-11-08 2007-01-30 Wang, F.,Langley, R.,Gulten, G.,Dover, L.G.,Besra, G.S.,Jacobs, W.R.,Sacchettini, J.C. Mechanism of thioamide drug action against tuberculosis and leprosy. J.Exp.Med. 2007 204 73 78 2OKQ Crystal structure of unknown conserved ybaA protein from Shigella flexneri 2007-01-17 2007-02-06 Minasov, G.,Vorontsov, I.I.,Shuvalova, L.,Brunzelle, J.S.,Kiryukhina, O.,Collart, F.R.,Joachimiak, A.,Anderson, W.F. Crystal structure of unknown conserved ybaA protein from Shigella flexneri TO BE PUBLISHED 0 0 0 0 2E25 17329804 The Crystal Structure of the T109S mutant of E. coli Dihydroorotase complexed with an inhibitor 5-fluoroorotate 2006-11-08 2007-03-13 Lee, M.,Maher, M.J.,Guss, J.M. Structure of the T109S mutant of Escherichia coli dihydroorotase complexed with the inhibitor 5-fluoroorotate: catalytic activity is reflected by the crystal form Acta Crystallogr.,Sect.F 2007 63 154 161 2NVO 17392270 Crystal structure of Deinococcus radiodurans RO (RSR) protein 2006-11-13 2007-03-27 Ramesh, A.,Savva, C.G.,Holzenburg, A.,Sacchettini, J.C. Crystal structure of Rsr, an ortholog of the antigenic Ro protein, links conformational flexibility to RNA binding activity. J.Biol.Chem. 2007 282 14960 14967 2O0H 17386269 T4 gp17 ATPase domain mutant complexed with ATP 2006-11-27 2007-04-03 Sun, S.,Kondabagil, K.,Gentz, P.M.,Rossmann, M.G.,Rao, V.B. The Structure of the ATPase that Powers DNA Packaging into Bacteriophage T4 Procapsids MOL.CELL 2007 25 943 949 2O0J 17386269 T4 gp17 ATPase domain mutant complexed with ADP 2006-11-27 2007-04-03 Sun, S.,Kondabagil, K.,Gentz, P.M.,Rossmann, M.G.,Rao, V.B. The Structure of the ATPase that Powers DNA Packaging into Bacteriophage T4 Procapsids MOL.CELL 2007 25 943 949 2O0K 17386269 T4 gp17 ATPase domain mutant 2006-11-27 2007-04-03 Sun, S.,Kondabagil, K.,Gentz, P.M.,Rossmann, M.G.,Rao, V.B. The Structure of the ATPase that Powers DNA Packaging into Bacteriophage T4 Procapsids MOL.CELL 2007 25 943 949 2PA3 17459882 crystal structure of serine bound G336V mutant of E.coli phosphoglycerate dehydrogenase 2007-03-27 2007-04-24 Dey, S.,Hu, Z.,Xu, X.L.,Sacchettini, J.C.,Grant, G.A. The Effect of Hinge Mutations on Effector Binding and Domain Rotation in Escherichia coli D-3-Phosphoglycerate Dehydrogenase. J.Biol.Chem. 2007 282 18418 18426 2OZK 17409150 Structure of an N-Terminal Truncated Form of Nendou (NSP15) From SARS-CORONAVIRUS 2007-02-26 2007-05-29 Joseph, J.S.,Saikatendu, K.S.,Subramanian, V.,Neuman, B.W.,Buchmeier, M.J.,Stevens, R.C.,Kuhn, P. Crystal structure of a monomeric form of severe acute respiratory syndrome coronavirus endonuclease nsp15 suggests a role for hexamerization as an allosteric switch. J.Virol. 2007 81 6700 6708 2PKF 17597075 Crystal structure of M tuberculosis Adenosine Kinase (apo) 2007-04-17 2007-06-19 Reddy, M.C.M.,Palaninathan, S.K.,Shetty, N.D.,Owen, J.L.,Watson, M.D.,Sacchettini, J.C. High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem. 2007 282 27334 27342 2QKQ Structure of the SAM Domain of Human Ephrin Type-B Receptor 4 2007-07-11 2007-07-24 Walker, J.R.,Cuerrier, D.,Butler-Cole, C.,Weigelt, J.,Arrowsmith, C.H.,Edwards, A.M.,Bochkarev, A.,Dhe-Paganon, S. SAM Domain of Human Ephrin Type-B Receptor 4 (EPHB4) TO BE PUBLISHED 0 0 0 0 2QPP 17965015 Crystal structure of human heme oxygenase-2 C127A (HO-2) with bound heme 2007-07-24 2007-08-07 Bianchetti, C.M.,Yi, L.,Ragsdale, S.W.,Phillips Jr., G.N. Comparison of Apo- and Heme-bound Crystal Structures of a Truncated Human Heme Oxygenase-2. J.Biol.Chem. 2007 282 37624 37631 2QNK Crystal structure of human 3-hydroxyanthranilate 3,4-dioxygenase 2007-07-18 2007-08-14 Bitto, E.,Bingman, C.A.,Wesenberg, G.E.,Phillips Jr., G.N. Crystal Structure of Human 3-hydroxyanthranilate 3,4-dioxygenase. to be published 0 0 0 0 2QT8 Coproporphyrinogen III oxidase from Leishmania major 2007-08-01 2007-09-04 Merritt, E.A.,Le Trong, I. Coproporphyrinogen III oxidase from Leishmania major. To be Published 0 0 0 0 2R2O 17916560 Crystal structure of the effector domain of human Plexin B1 2007-08-27 2007-09-04 Tong, Y.,Chugha, P.,Hota, P.K.,Alviani, R.S.,Li, M.,Tempel, W.,Shen, L.,Park, H.W.,Buck, M. Binding of Rac1, Rnd1, and RhoD to a novel Rho GTPase interaction motif destabilizes dimerization of the plexin-B1 effector domain. J.Biol.Chem. 2007 282 37215 37224 2IGB Crystal Structure of PyrR, The Regulator Of The Pyrimidine Biosynthetic Operon In Bacillus caldolyticus, UMP-bound form 2006-09-22 2007-09-25 Chander, P.,Switzer, R.L.,Smith, J.L. PyrR, the regulator of the pyrimidine biosynthetic operon in Bacillus caldolyticus To be Published 0 0 0 0 2R2P Kinase domain of human ephrin type-A receptor 5 (EphA5) 2007-08-27 2007-09-25 Walker, J.R.,Cuerrier, D.,Butler-Cole, C.,Weigelt, J.,Arrowsmith, C.H.,Edwards, A.M.,Bochkarev, A.,Dhe-Paganon, S. Kinase Domain of Human Ephrin Type-A Receptor 5 (EphA5). To be Published 0 0 0 0 2RC3 Crystal structure of CBS domain, NE2398 2007-09-19 2007-10-02 Dong, A.,Xu, X.,Korniyenko, A.,Yakunin, A.,Zheng, H.,Walker, J.R.,Edwards, A.M.,Joachimiak, A.,Savchenko, A. Crystal structure of CBS domain, NE2398. To be Published 0 0 0 0 2Q2X 17928301 Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula 2007-05-29 2007-10-09 Geders, T.W.,Gu, L.,Mowers, J.C.,Liu, H.,Gerwick, W.H.,Hakansson, K.,Sherman, D.H.,Smith, J.L. Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching. 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J.Biol.Chem. 2007 282 35954 35963 2Z26 17711307 Thr110Ala dihydroorotase from E. coli 2007-05-17 2007-10-09 Lee, M.,Maher, M.J.,Christopherson, R.I.,Guss, J.M. Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State Biochemistry 2007 46 10538 10550 2Z2B 17711307 Deletion 107-116 mutant of dihydroorotase from E. coli 2007-05-17 2007-10-09 Lee, M.,Maher, M.J.,Christopherson, R.I.,Guss, J.M. Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State Biochemistry 2007 46 10538 10550 2RGZ 17965015 Ensemble refinement of the protein crystal structure of human heme oxygenase-2 C127A (HO-2) with bound heme 2007-10-05 2007-10-23 Bianchetti, C.M.,Yi, L.,Ragsdale, S.W.,Phillips Jr., G.N. Comparison of Apo- and Heme-bound Crystal Structures of a Truncated Human Heme Oxygenase-2. J.Biol.Chem. 2007 282 37624 37631 2RH1 17962520 High resolution crystal structure of human B2-adrenergic G protein-coupled receptor. 2007-10-05 2007-10-30 Cherezov, V.,Rosenbaum, D.M.,Hanson, M.A.,Rasmussen, S.G.,Thian, F.S.,Kobilka, T.S.,Choi, H.J.,Kuhn, P.,Weis, W.I.,Kobilka, B.K.,Stevens, R.C. High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor. Science 2007 318 1258 1265 2RH1 17962520 High resolution crystal structure of human B2-adrenergic G protein-coupled receptor. 2007-10-05 2007-10-30 Cherezov, V.,Rosenbaum, D.M.,Hanson, M.A.,Rasmussen, S.G.,Thian, F.S.,Kobilka, T.S.,Choi, H.J.,Kuhn, P.,Weis, W.I.,Kobilka, B.K.,Stevens, R.C. High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor. Science 2007 318 1258 1265 2O4H 18293939 Human brain aspartoacylase complex with intermediate analog (N-phosphonomethyl-L-aspartate) 2006-12-04 2007-11-06 Le Coq, J.,Pavlovsky, A.,Malik, R.,Sanishvili, R.,Xu, C.,Viola, R.E. Examination of the Mechanism of Human Brain Aspartoacylase through the Binding of an Intermediate Analogue. Biochemistry 2008 47 3484 3492 2O53 18293939 Crystal structure of apo-Aspartoacylase from human brain 2006-12-05 2007-11-06 Le Coq, J.,Pavlovsky, A.,Malik, R.,Sanishvili, R.,Xu, C.,Viola, R.E. Examination of the Mechanism of Human Brain Aspartoacylase through the Binding of an Intermediate Analogue. Biochemistry 2008 47 3484 3492 2R4S 17952055 Crystal structure of the human beta2 adrenoceptor 2007-08-31 2007-11-06 Rasmussen, S.G.F.,Choi, H.J.,Rosenbaum, D.M.,Kobilka, T.S.,Thian, F.S.,Edwards, P.C.,Burghammer, M.,Ratnala, V.R.,Sanishvili, R.,Fischetti, R.F.,Schertler, G.F.,Weis, W.I.,Kobilka, B.K. Crystal structure of the human beta2 adrenergic G-protein-coupled receptor. Nature 2007 450 383 387 2REE 17991863 Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula 2007-09-26 2007-11-20 Gu, L.,Geders, T.W.,Wang, B.,Gerwick, W.H.,Hakansson, K.,Smith, J.L.,Sherman, D.H. GNAT-like strategy for polyketide chain initiation. Science 2007 318 970 974 2REF 17991863 Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with malonyl-CoA 2007-09-26 2007-11-20 Gu, L.,Geders, T.W.,Wang, B.,Gerwick, W.H.,Hakansson, K.,Smith, J.L.,Sherman, D.H. GNAT-like strategy for polyketide chain initiation. Science 2007 318 970 974 2V3X 17983589 His243Ala Escherichia coli aminopeptidase P in complex with substrate 2007-06-25 2007-11-20 Graham, S.C.,Guss, J.M. Complexes of Mutants of Escherichia Coli Aminopeptidase P and the Tripeptide Substrate Valproleu. 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Nature 2008 455 822 826 3BKH 18160394 Crystal structure of the bacteriophage phiKZ lytic transglycosylase, gp144 2007-12-06 2008-01-08 Fokine, A.,Miroshnikov, K.A.,Shneider, M.M.,Mesyanzhinov, V.V.,Rossmann, M.G. Structure of the bacteriophage phi KZ lytic transglycosylase gp144. J.Biol.Chem. 2008 283 7242 7250 2VI6 18177668 Crystal Structure of the Nanog Homeodomain 2007-11-28 2008-01-15 Jauch, R.,Ng, C.K.L.,Saitakendu, K.S.,Stevens, R.C.,Kolatkar, P.R. Crystal Structure and DNA Binding of the Homeodomain of the Stem Cell Transcription Factor Nanog. J.Mol.Biol. 2008 376 758 0 3BJU 18272479 Crystal Structure of tetrameric form of human lysyl-tRNA synthetase 2007-12-04 2008-02-05 Guo, M.,Ignatov, M.,Musier-Forsyth, K.,Schimmel, P.,Yang, X.L. 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Science 2008 319 1092 1096 3C5I Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520 2008-01-31 2008-02-19 Wernimont, A.K.,Hills, T.,Lew, J.,Wasney, G.,Senisterra, G.,Kozieradzki, I.,Cossar, D.,Vedadi, M.,Schapira, M.,Bochkarev, A.,Arrowsmith, C.H.,Bountra, C.,Weigelt, J.,Edwards, A.M.,Hui, R.,Artz, J.D.,Xiao, T. Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520. To be Published 0 0 0 0 3BZH 22496338 Crystal structure of human ubiquitin-conjugating enzyme E2 E1 2008-01-18 2008-02-26 Sheng, Y.,Hong, J.H.,Doherty, R.,Srikumar, T.,Shloush, J.,Avvakumov, G.V.,Walker, J.R.,Xue, S.,Neculai, D.,Wan, J.W.,Kim, S.K.,Arrowsmith, C.H.,Raught, B.,Dhe-Paganon, S. A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. 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To be Published 0 0 0 0 3CKL Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol 2008-03-16 2008-04-01 Pan, P.W.,Tempel, W.,Dong, A.,Loppnau, P.,Kozieradzki, I.,Edwards, A.M.,Arrowsmith, C.H.,Weigelt, J.,Bountra, C.,Bochkarev, A.,Min, J. Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol. To be Published 0 0 0 0 2PFC 17524985 Structure of Mycobacterium tuberculosis Rv0098 2007-04-04 2008-04-08 Wang, F.,Langley, R.,Gulten, G.,Wang, L.,Sacchettini, J.C. Identification of a type III thioesterase reveals the function of an operon crucial for Mtb virulence. Chem.Biol. 2007 14 543 551 3CLZ 18772889 The set and ring associated (SRA) domain of UHRF1 bound to methylated DNA 2008-03-20 2008-04-29 Avvakumov, G.V.,Walker, J.R.,Xue, S.,Li, Y.,Duan, S.,Bronner, C.,Arrowsmith, C.H.,Dhe-Paganon, S. Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1. Nature 2008 455 822 825 2Q7U 17630285 Crystal Structure of the F plasmid TraI Relaxase Domain with the Scissile Thymidine Base and Imidodiphosphate 2007-06-07 2008-05-20 Lujan, S.A.,Guogas, L.M.,Ragonese, H.,Matson, S.W.,Redinbo, M.R. Disrupting antibiotic resistance propagation by inhibiting the conjugative DNA relaxase. Proc.Natl.Acad.Sci.Usa 2007 104 12282 12287 2VPW 18536726 Polysulfide reductase with bound menaquinone 2008-03-09 2008-06-10 Jormakka, M.,Yokoyama, K.,Yano, T.,Tamakoshi, M.,Akimoto, S.,Shimamura, T.,Curmi, P.,Iwata, S. Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol. 2008 15 730 0 2VPX 18536726 Polysulfide reductase with bound quinone (UQ1) 2008-03-09 2008-06-10 Jormakka, M.,Yokoyama, K.,Yano, T.,Tamakoshi, M.,Akimoto, S.,Shimamura, T.,Curmi, P.,Iwata, S. Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol. 2008 15 730 0 2VPY 18536726 Polysulfide reductase with bound quinone inhibitor, pentachlorophenol (PCP) 2008-03-09 2008-06-10 Jormakka, M.,Yokoyama, K.,Yano, T.,Tamakoshi, M.,Akimoto, S.,Shimamura, T.,Curmi, P.,Iwata, S. Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol. 2008 15 730 0 2VPZ 18536726 Polysulfide reductase native structure 2008-03-09 2008-06-10 Jormakka, M.,Yokoyama, K.,Yano, T.,Tamakoshi, M.,Akimoto, S.,Shimamura, T.,Curmi, P.,Iwata, S. Molecular Mechanism of Energy Conservation in Polysulfide Respiration Nat.Struct.Mol.Biol. 2008 15 730 0 3D4S 18547522 Cholesterol bound form of human beta2 adrenergic receptor. 2008-05-14 2008-06-17 Hanson, M.A.,Cherezov, V.,Griffith, M.T.,Roth, C.B.,Jaakola, V.P.,Chien, E.Y.,Velasquez, J.,Kuhn, P.,Stevens, R.C. A specific cholesterol binding site is established by the 2.8 A structure of the human beta2-adrenergic receptor. Structure 2008 16 897 905 3D38 18831551 Crystal structure of new trigonal form of photosynthetic reaction center from Blastochloris viridis. Crystals grown in microfluidics by detergent capture. 2008-05-09 2008-07-08 Li, L.,Nachtergaele, S.,Seddon, A.M.,Tereshko, V.,Ponomarenko, N.,Ismagilov, R.F. Simple host-guest chemistry to modulate the process of concentration and crystallization of membrane proteins by detergent capture in a microfluidic device. J.Am.Chem.Soc. 2008 130 14324 14328 3BJI 18589439 Structural Basis of Promiscuous Guanine Nucleotide Exchange by the T-Cell Essential Vav1 2007-12-04 2008-07-15 Chrencik, J.E.,Brooun, A.,Zhang, H.,Mathews, I.I.,Hura, G.L.,Foster, S.A.,Perry, J.J.,Streiff, M.,Ramage, P.,Widmer, H.,Bokoch, G.M.,Tainer, J.A.,Weckbecker, G.,Kuhn, P. Structural basis of guanine nucleotide exchange mediated by the T-cell essential Vav1. J.Mol.Biol. 2008 380 828 843 3CHX 18540635 Crystal structure of Methylosinus trichosporium OB3b particulate methane monooxygenase (pMMO) 2008-03-10 2008-07-15 Hakemian, A.S.,Kondapalli, K.C.,Telser, J.,Hoffman, B.M.,Stemmler, T.L.,Rosenzweig, A.C. The metal centers of particulate methane monooxygenase from Methylosinus trichosporium OB3b. Biochemistry 2008 47 6793 6801 3D89 18703841 Crystal Structure of a Soluble Rieske Ferredoxin from Mus musculus 2008-05-22 2008-07-15 Levin, E.J.,Elsen, N.L.,Seder, K.D.,McCoy, J.G.,Fox, B.G.,Phillips, G.N. X-ray structure of a soluble Rieske-type ferredoxin from Mus musculus. Acta Crystallogr.,Sect.D 2008 64 933 940 3CSG 18602117 Crystal Structure of Monobody YS1(MBP-74)/Maltose Binding Protein Fusion Complex 2008-04-09 2008-07-22 Gilbreth, R.N.,Esaki, K.,Koide, A.,Sidhu, S.S.,Koide, S. A Dominant Conformational Role for Amino Acid Diversity in Minimalist Protein-Protein Interfaces J.Mol.Biol. 2008 381 407 418 3DFA Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum 2008-06-11 2008-07-29 Wernimont, A.K.,Lew, J.,Lin, Y.H.,Hassanali, A.,Khuu, C.,Alam, Z.,Kozieradzki, I.,Cossar, D.,Bochkarev, A.,Arrowsmith, C.H.,Bountra, C.,Wilkstrom, M.,Edwards, A.M.,Hui, R.,Artz, J.D.,Xiao, T. Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum. To be Published 0 0 0 0 3DMY Crystal Structure of a predicated acyl-CoA synthetase from E.coli 2008-07-01 2008-08-05 Sugadev, R.,Burley, S.K.,Swaminathan, S. Crystal Structure of a predicted Acyl-CoA-synthetase from E.coli To be Published 0 0 0 0 2RGT 18583962 Crystal Structure of Lhx3 LIM domains 1 and 2 with the binding domain of Isl1 2007-10-05 2008-08-12 Bhati, M.,Lee, C.,Nancarrow, A.L.,Lee, M.,Craig, V.J.,Bach, I.,Guss, J.M.,Mackay, J.P.,Matthews, J.M. Implementing the LIM code: the structural basis for cell type-specific assembly of LIM-homeodomain complexes. Embo J. 2008 27 2018 2029 3CEQ The TPR domain of Human Kinesin Light Chain 2 (hKLC2) 2008-02-29 2008-08-12 Zhu, H.,Shen, Y.,MacKenzie, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Weigelt, J.,Bochkarev, A.,Park, H. The TPR domain of Human Kinesin Light Chain 2 (hKLC2) To be Published 0 0 0 0 2ZNM 18715864 Oxidoreductase NmDsbA3 from Neisseria meningitidis 2008-04-30 2008-08-19 Vivian, J.P.,Scoullar, J.,Robertson, A.L.,Bottomley, S.P.,Horne, J.,Chin, Y.,Wielens, J.,Thompson, P.E.,Velkov, T.,Piek, S.,Byres, E.,Beddoe, T.,Wilce, M.C.,Kahler, C.M.,Rossjohn, J.,Scanlon, M.J. Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis J.Biol.Chem. 2008 283 32452 32461 3DCR 18657969 X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor 2008-06-04 2008-08-19 Torbeev, V.Y.,Mandal, K.,Terechko, V.A.,Kent, S.B.H. Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site Bioorg.Med.Chem.Lett. 2008 18 4554 4557 3DOM 19172752 Crystal Structure of the complex between Tfb5 and the C-terminal domain of Tfb2 2008-07-04 2008-08-19 Kainov, D.E.,Vitorino, M.,Cavarelli, J.,Poterszman, A.,Egly, J.M. Structural basis for group A trichothiodystrophy Nat.Struct.Mol.Biol. 2008 15 980 984 3EAP Crystal structure of the RhoGAP domain of ARHGAP11A 2008-08-26 2008-09-02 Shen, Y.,Shen, L.,Tong, Y.,Tempel, W.,MacKenzie, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Weigelt, J.,Bochkarev, A.,Park, H. Crystal structure of the RhoGAP domain of ARHGAP11A To be Published 0 0 0 0 3DWR Leishmania major coproporphyrinogen III oxidase with bound ligand 2008-07-22 2008-09-09 Merritt, E.A.,Le Trong, I.,Larson, E.T.,Shibata, S.,Zhang, Z.,Anderson, L.,Ross, J.,Verlinde, C.L.M.J.,Buckner, F.S.,Van Voorhis, W.C.,Hol, G.J.W.,Fan, E. Leishmania major coproporphyrinogen III oxidase with bound ligand To be Published 0 0 0 0 3CO7 18786403 Crystal Structure of FoxO1 DBD Bound to DBE2 DNA 2008-03-27 2008-09-16 Brent, M.M.,Anand, R.,Marmorstein, R. Structural Basis for DNA Recognition by FoxO1 and Its Regulation by Posttranslational Modification. Structure 2008 16 1407 1416 3DB4 21489993 Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 2008-05-30 2008-09-16 Nady, N.,Lemak, A.,Walker, J.R.,Avvakumov, G.V.,Kareta, M.S.,Achour, M.,Xue, S.,Duan, S.,Allali-Hassani, A.,Zuo, X.,Wang, Y.X.,Bronner, C.,Chedin, F.,Arrowsmith, C.H.,Dhe-Paganon, S. Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein. J.Biol.Chem. 2011 286 24300 24311 3BOI 18598029 Snow Flea Antifreeze Protein Racemate 2007-12-17 2008-09-23 Pentelute, B.L.,Gates, Z.P.,Tereshko, V.,Dashnau, J.L.,Vanderkooi, J.M.,Kossiakoff, A.A.,Kent, S.B. X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers J.Am.Chem.Soc. 2008 130 9695 9701 3EK2 23382856 Crystal structure of eonyl-(acyl carrier protein) reductase from burkholderia pseudomallei 1719b 2008-09-18 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 3EKS 18938176 Crystal Structure of Monomeric Actin bound to Cytochalasin D 2008-09-19 2008-10-07 Nair, U.B.,Joel, P.B.,Wan, Q.,Lowey, S.,Rould, M.A.,Trybus, K.M. Crystal structures of monomeric actin bound to cytochalasin D. J.Mol.Biol. 2008 384 848 864 3EO3 19841673 Crystal structure of the N-acetylmannosamine kinase domain of human GNE protein 2008-09-26 2008-10-07 Tong, Y.,Tempel, W.,Nedyalkova, L.,Mackenzie, F.,Park, H.W. Crystal structure of the N-acetylmannosamine kinase domain of GNE. Plos One 2009 4 0 0 3EML 18832607 The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. 2008-09-24 2008-10-14 Jaakola, V.P.,Griffith, M.T.,Hanson, M.A.,Cherezov, V.,Chien, E.Y.,Lane, J.R.,Ijzerman, A.P.,Stevens, R.C. The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist. Science 2008 322 1211 1217 3EQL 18946472 Crystal structure of the T. Thermophilus RNA polymerase holoenzyme in complex with antibiotic myxopyronin 2008-09-30 2008-10-28 Belogurov, G.A.,Vassylyeva, M.N.,Sevostyanova, A.,Appleman, J.R.,Xiang, A.X.,Lira, R.,Webber, S.E.,Klyuyev, S.,Nudler, E.,Artsimovitch, I.,Vassylyev, D.G. Transcription inactivation through local refolding of the RNA polymerase structure. Nature 2009 457 332 335 3EZU Crystal structure of multidomain protein of unknown function with GGDEF-domain (NP_951600.1) from GEOBACTER SULFURREDUCENS at 1.95 A resolution 2008-10-23 2008-11-18 Joint Center for Structural Genomics (JCSG) Crystal structure of multidomain protein of unknown function with GGDEF-domain (NP_951600.1) from GEOBACTER SULFURREDUCENS at 1.95 A resolution To be published 0 0 0 0 3F0H Crystal structure of Aminotransferase (RER070207000802) from Eubacterium rectale at 1.70 A resolution 2008-10-24 2008-11-18 Joint Center for Structural Genomics (JCSG) Crystal structure of Aminotransferase (RER070207000802) from Eubacterium rectale at 1.70 A resolution To be published 0 0 0 0 3F44 Crystal structure of putative monooxygenase (YP_193413.1) from Lactobacillus acidophilus NCFM at 1.55 A resolution 2008-10-31 2008-11-18 Joint Center for Structural Genomics (JCSG) Crystal structure of putative monooxygenase (YP_193413.1) from Lactobacillus acidophilus NCFM at 1.55 A resolution To be published 0 0 0 0 3EPZ 21389349 Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1 2008-09-30 2008-11-25 Syeda, F.,Fagan, R.L.,Wean, M.,Avvakumov, G.V.,Walker, J.R.,Xue, S.,Dhe-Paganon, S.,Brenner, C. The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1. J.Biol.Chem. 2011 286 15344 15351 3F2U Crystal structure of human chromobox homolog 1 (CBX1) 2008-10-30 2008-11-25 Ravichandran, M.,Amaya, M.F.,Tempel, W.,Wernimont, A.K.,Loppnau, P.,Kozieradzki, I.,Edwards, A.M.,Arrowsmith, C.H.,Weigelt, J.,Bountra, C.,Botchkarev, A.,Min, J.,Ouyang, H. Crystal structure of the complex of human chromobox homolog 1 (CBX1) To be Published 0 0 0 0 3F43 Crystal structure of a putative anti-sigma factor antagonist (tm1081) from thermotoga maritima at 1.59 A resolution 2008-10-31 2008-11-25 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative anti-sigma factor antagonist TM1081 (TM1081) from THERMOTOGA MARITIMA at 1.59 A resolution To be published 0 0 0 0 3F6O Crystal structure of ArsR family transcriptional regulator, RHA00566 2008-11-06 2008-11-25 Dong, A.,Xu, X.,Zheng, H.,Edwards, A.M.,Joachimiak, A.,Savchenko, A. Crystal structure of ArsR family transcriptional regulator, RHA00566 To be Published 0 0 0 0 3F7C Crystal structure of a duf416 family protein (maqu_0942) from marinobacter aquaeolei vt8 at 2.00 A resolution 2008-11-07 2008-11-25 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (DUF416) (YP_958225.1) from MARINOBACTER AQUAEOLEI VT8 at 2.00 A resolution To be published 0 0 0 0 3F7S CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN OF UNKNOWN FUNCTION (PP_4556) FROM PSEUDOMONAS PUTIDA KT2440 AT 2.11 A RESOLUTION 2008-11-10 2008-11-25 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function (NP_746665.1) from PSEUDOMONAS PUTIDA KT2440 at 2.11 A resolution To be published 0 0 0 0 3F7X Crystal structure of a putative polyketide cyclase (pp0894) from pseudomonas putida kt2440 at 1.24 A resolution 2008-11-10 2008-11-25 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative polyketide cyclase. (NP_743055.1) from PSEUDOMONAS PUTIDA KT2440 at 1.24 A resolution To be published 0 0 0 0 3F8H Crystal structure of a putative polyketide cyclase (tm1040_3560) from silicibacter sp. tm1040 at 2.00 A resolution 2008-11-12 2008-11-25 Joint Center for Structural Genomics (JCSG) Crystal structure of putative polyketide cyclase (YP_611791.1) from SILICIBACTER SP. TM1040 at 2.00 A resolution To be published 0 0 0 0 3F9S Crystal structure of a putative polyketide cyclase (lferr_0659) from acidithiobacillus ferrooxidans atcc at 1.76 A resolution 2008-11-14 2008-11-25 Joint Center for Structural Genomics (JCSG) Crystal structure of putative polyketide cyclase (AFE_2539) from ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 at 1.76 A resolution To be published 0 0 0 0 3F9T Crystal structure of L-tyrosine decarboxylase MfnA (EC 4.1.1.25) (NP_247014.1) from METHANOCOCCUS JANNASCHII at 2.11 A resolution 2008-11-14 2008-11-25 Joint Center for Structural Genomics (JCSG) Crystal structure of L-tyrosine decarboxylase MfnA (EC 4.1.1.25) (NP_247014.1) from METHANOCOCCUS JANNASCHII at 2.11 A resolution To be published 0 0 0 0 3FA5 CRYSTAL STRUCTURE OF a DUF849 family protein (PDEN_3495) FROM PARACOCCUS DENITRIFICANS PD1222 AT 1.90 A RESOLUTION 2008-11-14 2008-12-02 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (DUF849) (YP_917261.1) from PARACOCCUS DENITRIFICANS PD1222 at 1.90 A resolution To be published 0 0 0 0 3FD0 Crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (NP_470671.1) from LISTERIA INNOCUA at 2.12 A resolution 2008-11-24 2008-12-09 Joint Center for Structural Genomics (JCSG) Crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (NP_470671.1) from LISTERIA INNOCUA at 2.12 A resolution To be published 0 0 0 0 3EXJ 18978813 Crystal Structure of a p53 Core Tetramer Bound to DNA 2008-10-16 2008-12-16 Malecka, K.A.,Ho, W.C.,Marmorstein, R. Crystal structure of a p53 core tetramer bound to DNA. Oncogene 2009 28 325 333 3EXL 18978813 Crystal Structure of a p53 Core Tetramer Bound to DNA 2008-10-16 2008-12-16 Malecka, K.A.,Ho, W.C.,Marmorstein, R. Crystal structure of a p53 core tetramer bound to DNA. Oncogene 2009 28 325 333 3FEZ Crystal structure of uncharacterized ferredoxin fold protein related to antibiotic biosynthesis monooxygenases (YP_014836.1) from LISTERIA MONOCYTOGENES 4b F2365 at 2.10 A resolution 2008-12-01 2008-12-16 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized ferredoxin fold protein related to antibiotic biosynthesis monooxygenases (YP_014836.1) from LISTERIA MONOCYTOGENES 4b F2365 at 2.10 A resolution To be published 0 0 0 0 3FF0 Crystal structure of a phenazine biosynthesis-related protein (phzb2) from pseudomonas aeruginosa at 1.90 A resolution 2008-12-01 2008-12-16 Joint Center for Structural Genomics (JCSG) Crystal structure of protein PhzB2 with cystatin-like fold and unknown function in phenazine biosynthesis (NP_250591.1) from PSEUDOMONAS AERUGINOSA at 1.90 A resolution To be published 0 0 0 0 3EGA 19081057 Crystal structure of Pellino2 FHA Domain at 1.8 Angstroms resolution 2008-09-10 2008-12-23 Lin, C.C.,Huoh, Y.S.,Schmitz, K.R.,Jensen, L.E.,Ferguson, K.M. Pellino proteins contain a cryptic FHA domain that mediates interaction with phosphorylated IRAK1. Structure 2008 16 1806 1816 3FEG 20299452 Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide 2008-11-29 2008-12-23 Hong, B.S.,Allali-Hassani, A.,Tempel, W.,Finerty, P.J.,Mackenzie, F.,Dimov, S.,Vedadi, M.,Park, H.W. Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity. J.Biol.Chem. 2010 285 16330 16340 3FEH 21057110 Crystal structure of full length centaurin alpha-1 2008-11-29 2008-12-23 Tong, Y.,Tempel, W.,Wang, H.,Yamada, K.,Shen, L.,Senisterra, G.A.,Mackenzie, F.,Chishti, A.H.,Park, H.W. Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1. Proc.Natl.Acad.Sci.USA 2010 107 20346 20351 3FGV CRYSTAL STRUCTURE OF A PUTATIVE ANTIBIOTIC BIOSYNTHESIS MONOOXYGENASE (SPO2313) FROM SILICIBACTER POMEROYI DSS-3 AT 1.30 A RESOLUTION 2008-12-08 2008-12-23 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function with ferredoxin-like fold (YP_167536.1) from SILICIBACTER POMEROYI DSS-3 at 1.30 A resolution To be published 0 0 0 0 3FGY CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN (BXE_B1094) FROM BURKHOLDERIA XENOVORANS LB400 AT 1.59 A RESOLUTION 2008-12-08 2008-12-23 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function. (YP_554211.1) from BURKHOLDERIA XENOVORANS LB400 at 1.59 A resolution To be published 0 0 0 0 3FH1 Crystal structure of a ntf2-like protein of unknown function (mll8193) from mesorhizobium loti at 1.60 A resolution 2008-12-08 2008-12-23 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function (NP_108339.1) from MESORHIZOBIUM LOTI at 1.60 A resolution To be published 0 0 0 0 3FGE Crystal structure of putative flavin reductase with split barrel domain (YP_750721.1) from SHEWANELLA FRIGIDIMARINA NCIMB 400 at 1.74 A resolution 2008-12-05 2008-12-30 Joint Center for Structural Genomics (JCSG) Crystal structure of putative flavin reductase with split barrel domain (YP_750721.1) from SHEWANELLA FRIGIDIMARINA NCIMB 400 at 1.74 A resolution To be published 0 0 0 0 3FEO 19841675 The crystal structure of MBTD1 2008-11-30 2009-01-06 Eryilmaz, J.,Pan, P.,Amaya, M.F.,Allali-Hassani, A.,Dong, A.,Adams-Cioaba, M.A.,Mackenzie, F.,Vedadi, M.,Min, J. Structural studies of a four-MBT repeat protein MBTD1. Plos One 2009 4 0 0 3FMC CRYSTAL STRUCTURE OF a putative succinylglutamate desuccinylase / aspartoacylase family protein (SAMA_0604) FROM SHEWANELLA AMAZONENSIS SB2B AT 1.80 A RESOLUTION 2008-12-19 2009-01-06 Joint Center for Structural Genomics (JCSG) Crystal structure of putative succinylglutamate desuccinylase / aspartoacylase (YP_926482.1) from Shewanella amazonensis SB2B at 1.80 A resolution To be published 0 0 0 0 3C6A 19109896 Crystal Structure of the RB49 gp17 nuclease domain 2008-02-04 2009-01-13 Sun, S.,Kondabagil, K.,Draper, B.,Alam, T.I.,Bowman, V.D.,Zhang, Z.,Hegde, S.,Fokine, A.,Rossmann, M.G.,Rao, V.B. The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces. Cell(Cambridge,Mass.) 2008 135 1251 1262 3C6H 19109896 Crystal Structure of the RB49 gp17 nuclease domain 2008-02-04 2009-01-13 Sun, S.,Kondabagil, K.,Draper, B.,Alam, T.I.,Bowman, V.D.,Zhang, Z.,Hegde, S.,Fokine, A.,Rossmann, M.G.,Rao, V.B. The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces. Cell(Cambridge,Mass.) 2008 135 1251 1262 3CPE 19109896 Crystal Structure of T4 gp17 2008-03-31 2009-01-13 Sun, S.,Kondabagil, K.,Draper, B.,Alam, T.I.,Bowman, V.D.,Zhang, Z.,Hegde, S.,Fokine, A.,Rossmann, M.G.,Rao, V.B. The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces Cell(Cambridge,Mass.) 2008 135 1251 1262 3FCR Crystal structure of putative aminotransferase (YP_614685.1) from SILICIBACTER SP. TM1040 at 1.80 A resolution 2008-11-22 2009-01-13 Joint Center for Structural Genomics (JCSG) Crystal structure of putative aminotransferase (YP_614685.1) from SILICIBACTER SP. TM1040 at 1.80 A resolution To be published 0 0 0 0 3FDT 21047797 Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide 2008-11-26 2009-01-13 Kaustov, L.,Ouyang, H.,Amaya, M.,Lemak, A.,Nady, N.,Duan, S.,Wasney, G.A.,Li, Z.,Vedadi, M.,Schapira, M.,Min, J.,Arrowsmith, C.H. Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem. 2011 286 521 529 3FJ2 CRYSTAL STRUCTURE OF A MONOOXYGENASE-LIKE PROTEIN (LIN2316) FROM LISTERIA INNOCUA AT 1.85 A RESOLUTION 2008-12-12 2009-01-13 Joint Center for Structural Genomics (JCSG) Crystal structure of Monooxygenase-like Protein (NP_471648.1) from LISTERIA INNOCUA at 1.85 A resolution To be published 0 0 0 0 3FKH Crystal structure of Putative pyridoxamine 5'-phosphate oxidase (NP_601736.1) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 2.51 A resolution 2008-12-16 2009-01-13 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative pyridoxamine 5'-phosphate oxidase (NP_601736.1) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 2.51 A resolution To be published 0 0 0 0 3FJ1 Crystal structure of putative phosphosugar isomerase (YP_167080.1) from SILICIBACTER POMEROYI DSS-3 at 1.75 A resolution 2008-12-12 2009-01-20 Joint Center for Structural Genomics (JCSG) Crystal structure of putative phosphosugar isomerase (YP_167080.1) from SILICIBACTER POMEROYI DSS-3 at 1.75 A resolution To be published 0 0 0 0 3FNE 19130456 Crystal structure of InhA bound to triclosan derivative 17 2008-12-24 2009-01-20 Freundlich, J.S.,Wang, F.,Vilcheze, C.,Gulten, G.,Langley, R.,Schiehser, G.A.,Jacobus, D.P.,Jacobs, W.R.,Sacchettini, J.C. Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Chemmedchem 2009 4 241 248 3FNF 19130456 Crystal structure of InhA bound to triclosan derivative 2008-12-24 2009-01-20 Freundlich, J.S.,Wang, F.,Vilcheze, C.,Gulten, G.,Langley, R.,Schiehser, G.A.,Jacobus, D.P.,Jacobs, W.R.,Sacchettini, J.C. Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Chemmedchem 2009 4 241 248 3FNG 19130456 Crystal structure of InhA bound to triclosan derivative 2008-12-24 2009-01-20 Freundlich, J.S.,Wang, F.,Vilcheze, C.,Gulten, G.,Langley, R.,Schiehser, G.A.,Jacobus, D.P.,Jacobs, W.R.,Sacchettini, J.C. Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Chemmedchem 2009 4 241 248 3FNH 19130456 Crystal structure of InhA bound to triclosan derivative 2008-12-24 2009-01-20 Freundlich, J.S.,Wang, F.,Vilcheze, C.,Gulten, G.,Langley, R.,Schiehser, G.A.,Jacobus, D.P.,Jacobs, W.R.,Sacchettini, J.C. Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Chemmedchem 2009 4 241 248 3F5H 19146481 Crystal structure of fused docking domains from PikAIII and PikAIV of the pikromycin polyketide synthase 2008-11-03 2009-01-27 Buchholz, T.J.,Geders, T.W.,Bartley, F.E.,Reynolds, K.A.,Smith, J.L.,Sherman, D.H. Structural basis for binding specificity between subclasses of modular polyketide synthase docking domains. Acs Chem.Biol. 2009 4 41 52 3FL7 20505120 Crystal structure of the human ephrin A2 ectodomain 2008-12-18 2009-01-27 Himanen, J.P.,Yermekbayeva, L.,Janes, P.W.,Walker, J.R.,Xu, K.,Atapattu, L.,Rajashankar, K.R.,Mensinga, A.,Lackmann, M.,Nikolov, D.B.,Dhe-Paganon, S. Architecture of Eph receptor clusters. Proc.Natl.Acad.Sci.USA 2010 107 10860 10865 3FSE Crystal structure of a two-domain protein containing dj-1/thij/pfpi-like and ferritin-like domains (ava_4496) from anabaena variabilis atcc 29413 at 1.90 A resolution 2009-01-09 2009-02-03 Joint Center for Structural Genomics (JCSG) Crystal structure of two-domain protein containing DJ-1/ThiJ/PfpI-like and ferritin-like domains. (YP_324989.1) from ANABAENA VARIABILIS ATCC 29413 at 1.90 A resolution To be published 0 0 0 0 3FXA Crystal structure of a putative sugar-phosphate isomerase (lmof2365_0531) from listeria monocytogenes str. 4b f2365 at 1.60 A resolution 2009-01-20 2009-02-03 Joint Center for Structural Genomics (JCSG) Crystal structure of putative sugar-phosphate isomerase (YP_013136.1) from Listeria monocytogenes 4b F2365 at 1.60 A resolution To be published 0 0 0 0 3FXA Crystal structure of a putative sugar-phosphate isomerase (lmof2365_0531) from listeria monocytogenes str. 4b f2365 at 1.60 A resolution 2009-01-20 2009-02-03 Joint Center for Structural Genomics (JCSG) Crystal structure of putative sugar-phosphate isomerase (YP_013136.1) from Listeria monocytogenes 4b F2365 at 1.60 A resolution To be published 0 0 0 0 3DBQ 19120698 Crystal structure of TTK kinase domain 2008-06-02 2009-02-10 Wang, W.,Yang, Y.T.,Gao, Y.F.,Xu, Q.B.,Wang, F.,Zhu, S.C.,Old, W.,Resing, K.,Ahn, N.,Lei, M.,Liu, X.D. Structural and Mechanistic Insights into Mps1 Kinase Activation J.CELL.MOL.MED. 2008 13 1679 1694 3DBQ 19120698 Crystal structure of TTK kinase domain 2008-06-02 2009-02-10 Wang, W.,Yang, Y.T.,Gao, Y.F.,Xu, Q.B.,Wang, F.,Zhu, S.C.,Old, W.,Resing, K.,Ahn, N.,Lei, M.,Liu, X.D. Structural and Mechanistic Insights into Mps1 Kinase Activation J.CELL.MOL.MED. 2008 13 1679 1694 3FI8 Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020 2008-12-11 2009-02-10 Wernimont, A.K.,Pizarro, J.C.,Artz, J.D.,Amaya, M.F.,Xiao, T.,Lew, J.,Wasney, G.,Senesterra, G.,Kozieradzki, I.,Cossar, D.,Vedadi, M.,Schapira, M.,Bochkarev, A.,Arrowsmith, C.H.,Bountra, C.,Weigelt, J.,Edwards, A.M.,Hui, R.,Hills, T. Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020 TO BE PUBLISHED 0 0 0 0 3G0T 24888348 Crystal structure of putative aspartate aminotransferase (NP_905498.1) from Porphyromonas gingivalis W83 at 1.75 A resolution 2009-01-28 2009-02-10 Fleischman, N.M.,Das, D.,Kumar, A.,Xu, Q.,Chiu, H.J.,Jaroszewski, L.,Knuth, M.W.,Klock, H.E.,Miller, M.D.,Elsliger, M.A.,Godzik, A.,Lesley, S.A.,Deacon, A.M.,Wilson, I.A.,Toney, M.D. Molecular characterization of novel pyridoxal-5'-phosphate-dependent enzymes from the human microbiome. Protein Sci. 2014 23 1060 1076 3G15 20299452 Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP 2009-01-29 2009-02-10 Hong, B.S.,Allali-Hassani, A.,Tempel, W.,Finerty, P.J.,Mackenzie, F.,Dimov, S.,Vedadi, M.,Park, H.W. Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity. J.Biol.Chem. 2010 285 16330 16340 3FXZ 18973295 Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172 2009-01-21 2009-02-17 Maksimoska, J.,Feng, L.,Harms, K.,Yi, C.,Kissil, J.,Marmorstein, R.,Meggers, E. Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes J.Am.Chem.Soc. 2008 130 15764 15765 3FXZ 18973295 Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172 2009-01-21 2009-02-17 Maksimoska, J.,Feng, L.,Harms, K.,Yi, C.,Kissil, J.,Marmorstein, R.,Meggers, E. Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes J.Am.Chem.Soc. 2008 130 15764 15765 3EBB 19887378 PLAP/P97 complex 2008-08-27 2009-02-24 Qiu, L.,Pashkova, N.,Walker, J.R.,Winistorfer, S.,Allali-Hassani, A.,Akutsu, M.,Piper, R.,Dhe-Paganon, S. Structure and function of the PLAA/Ufd3-p97/Cdc48 complex. J.Biol.Chem. 2010 285 365 372 3FKA CRYSTAL STRUCTURE OF A NTF-2 LIKE PROTEIN OF UNKNOWN FUNCTION (SPO1084) FROM SILICIBACTER POMEROYI DSS-3 AT 1.69 A RESOLUTION 2008-12-16 2009-02-24 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF-2 like protein of unknown function (YP_166335.1) from SILICIBACTER POMEROYI DSS-3 at 1.69 A resolution To be published 0 0 0 0 3G68 CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOSUGAR ISOMERASE (CD3275) FROM CLOSTRIDIUM DIFFICILE 630 AT 1.80 A RESOLUTION 2009-02-06 2009-02-24 Joint Center for Structural Genomics (JCSG) Crystal structure of double-SIS domain protein (YP_001089791.1) from Clostridium difficile 630 at 1.80 A resolution To be published 0 0 0 0 3FY0 18973295 Crystal structure of PAK1 kinase domain with ruthenium complex DW1 2009-01-21 2009-03-03 Maksimoska, J.,Feng, L.,Harms, K.,Yi, C.,Kissil, J.,Marmorstein, R.,Meggers, E. Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes J.Am.Chem.Soc. 2008 130 15764 15765 3FY0 18973295 Crystal structure of PAK1 kinase domain with ruthenium complex DW1 2009-01-21 2009-03-03 Maksimoska, J.,Feng, L.,Harms, K.,Yi, C.,Kissil, J.,Marmorstein, R.,Meggers, E. Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes J.Am.Chem.Soc. 2008 130 15764 15765 3GAG Crystal structure of a nitroreductase-like protein (smu.346) from streptococcus mutans at 1.70 A resolution 2009-02-17 2009-03-10 Joint Center for Structural Genomics (JCSG) Crystal structure of nitroreductase-like protein (NP_720799.1) from Streptococcus mutans at 1.70 A resolution To be published 0 0 0 0 3GBM 19251591 Crystal Structure of Fab CR6261 in Complex with a H5N1 influenza virus hemagglutinin. 2009-02-20 2009-03-10 Ekiert, D.C.,Bhabha, G.,Elsliger, M.A.,Friesen, R.H.,Jongeneelen, M.,Throsby, M.,Goudsmit, J.,Wilson, I.A. Antibody recognition of a highly conserved influenza virus epitope. Science 2009 324 246 251 3GBN 19251591 Crystal Structure of Fab CR6261 in Complex with the 1918 H1N1 influenza virus hemagglutinin 2009-02-20 2009-03-10 Ekiert, D.C.,Bhabha, G.,Elsliger, M.A.,Friesen, R.H.,Jongeneelen, M.,Throsby, M.,Goudsmit, J.,Wilson, I.A. Antibody recognition of a highly conserved influenza virus epitope. Science 2009 324 246 251 3CKA 20133689 The crystal structure of OspA mutant 2008-03-14 2009-03-17 Biancalana, M.,Makabe, K.,Koide, S. Minimalist design of water-soluble cross-{beta} architecture. Proc.Natl.Acad.Sci.USA 2010 107 3469 3474 3G5U 19325113 Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding 2009-02-05 2009-03-24 Aller, S.G.,Yu, J.,Ward, A.,Weng, Y.,Chittaboina, S.,Zhuo, R.,Harrell, P.M.,Trinh, Y.T.,Zhang, Q.,Urbatsch, I.L.,Chang, G. Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding. Science 2009 323 1718 1722 3GGD Crystal structure of SAM-dependent methyltransferase (YP_325210.1) from ANABAENA VARIABILIS ATCC 29413 at 2.11 A resolution 2009-02-27 2009-03-31 Joint Center for Structural Genomics (JCSG) Crystal structure of SAM-dependent methyltransferase (YP_325210.1) from ANABAENA VARIABILIS ATCC 29413 at 2.11 A resolution To be published 0 0 0 0 3GHD Crystal structure of a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain 2009-03-03 2009-03-31 Dong, A.,Xu, X.,Chruszcz, M.,Brown, G.,Proudfoot, M.,Edwards, A.M.,Joachimiak, A.,Minor, W.,Savchenko, A.,Yaleunin, A. Crystal structure of a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain To be Published 0 0 0 0 3F0Z 19361427 Crystal structure of Clostridium acetobutylicum 8-oxoguanine glycosylase/lyase in its apo-form 2008-10-27 2009-04-07 Faucher, F.,Robey-Bond, S.M.,Wallace, S.S.,Doublie, S. Structural characterization of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase in its apo form and in complex with 8-oxodeoxyguanosine. J.Mol.Biol. 2009 387 669 679 3F0Z 19361427 Crystal structure of Clostridium acetobutylicum 8-oxoguanine glycosylase/lyase in its apo-form 2008-10-27 2009-04-07 Faucher, F.,Robey-Bond, S.M.,Wallace, S.S.,Doublie, S. Structural characterization of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase in its apo form and in complex with 8-oxodeoxyguanosine. J.Mol.Biol. 2009 387 669 679 3F3P 19111661 Crystal structure of the nucleoporin pair Nup85-Seh1, space group P21212 2008-10-31 2009-04-07 Debler, E.W.,Ma, Y.,Seo, H.S.,Hsia, K.C.,Noriega, T.R.,Blobel, G.,Hoelz, A. A fence-like coat for the nuclear pore membrane. Mol.Cell 2008 32 815 826 3DD3 19396894 Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta 2008-06-05 2009-04-21 Ang, W.H.,Parker, L.J.,De Luca, A.,Juillerat-Jeanneret, L.,Morton, C.J.,Lo Bello, M.,Parker, M.W.,Dyson, P.J. Rational design of an organometallic glutathione transferase inhibitor Angew.Chem.Int.Ed.Engl. 2009 48 3854 3857 3H3Z Crystal structure of a putative cyclic nucleotide binding protein (spoa0323) from ruegeria pomeroyi dss-3 at 2.35 A resolution 2009-04-17 2009-05-05 Joint Center for Structural Genomics (JCSG) Crystal structure of PUTATIVE CAMP-BINDING REGULATORY PROTEIN (YP_165150.1) from SILICIBACTER POMEROYI DSS-3 at 2.35 A resolution To be published 0 0 0 0 3H5Z 20360736 Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA 2009-04-22 2009-05-12 Frearson, J.A.,Brand, S.,McElroy, S.P.,Cleghorn, L.A.,Smid, O.,Stojanovski, L.,Price, H.P.,Guther, M.L.,Torrie, L.S.,Robinson, D.A.,Hallyburton, I.,Mpamhanga, C.P.,Brannigan, J.A.,Wilkinson, A.J.,Hodgkinson, M.,Hui, R.,Qiu, W.,Raimi, O.G.,van Aalten, D.M.,Brenk, R.,Gilbert, I.H.,Read, K.D.,Fairlamb, A.H.,Ferguson, M.A.,Smith, D.F.,Wyatt, P.G. N-myristoyltransferase inhibitors as new leads to treat sleeping sickness. Nature 2010 464 728 732 3H8U Crystal structure of uncharacterized conserved protein with double-stranded beta-helix domain (YP_001338853.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.80 A resolution 2009-04-29 2009-05-12 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized conserved protein with double-stranded beta-helix domain (YP_001338853.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.80 A resolution To be published 0 0 0 0 3FHF 19446526 Crystal structure of Methanocaldococcus jannaschii 8-oxoguanine DNA glycosylase (MjOgg) 2008-12-09 2009-05-19 Faucher, F.,Duclos, S.,Bandaru, V.,Wallace, S.S.,Doublie, S. Crystal structures of two archaeal 8-oxoguanine DNA glycosylases provide structural insight into guanine/8-oxoguanine distinction. Structure 2009 17 703 712 3FHG 19446526 Crystal structure of Sulfolobus solfataricus 8-oxoguanine DNA glycosylase (SsOgg) 2008-12-09 2009-05-19 Faucher, F.,Duclos, S.,Bandaru, V.,Wallace, S.S.,Doublie, S. Crystal structures of two archaeal 8-oxoguanine DNA glycosylases provide structural insight into guanine/8-oxoguanine distinction. Structure 2009 17 703 712 3H80 Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 2009-04-28 2009-05-26 Wernimont, A.K.,Tempel, W.,Lin, Y.H.,Hutchinson, A.,Mackenzie, F.,Fairlamb, A.,Kozieradzki, I.,Cossar, D.,Zhao, Y.,Schapira, M.,Bochkarev, A.,Arrowsmith, C.H.,Bountra, C.,Weigelt, J.,Edwards, A.M.,Ferguson, M.A.J.,Hui, R.,Pizarro, J.C.,Hills, T. Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 To be Published 0 0 0 0 3DGH Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation 2008-06-13 2009-06-16 Eckenroth, B.E.,Hondal, R.J.,Everse, S.J. Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation To be Published 0 0 0 0 3FYE 19397279 Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state 2009-01-22 2009-06-16 Qin, L.,Liu, J.,Mills, D.,Proshlyakov, D.A.,Hiser, C.,Ferguson-Miller, S. Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake. Biochemistry 2009 48 5121 5130 3HM5 SANT domain of human DNA methyltransferase 1 associated protein 1 2009-05-28 2009-06-16 Dombrovski, L.,Tempel, W.,Amaya, M.F.,Tong, Y.,Ni, S.,Bountra, C.,Weigelt, J.,Arrowsmith, C.H.,Edwards, A.M.,Bochkarev, A.,Min, J.,Park, H.,Wu, H. SANT domain of human DNA methyltransferase 1 associated protein 1 To be Published 0 0 0 0 2VXR 20219474 Crystal Structure of the Botulinum Neurotoxin serotype G binding domain 2008-07-08 2009-07-07 Stenmark, P.,Dong, M.,Dupuy, J.,Chapman, E.R.,Stevens, R.C. Crystal Structure of the Botulinum Neurotoxin Type G Binding Domain: Insight Into Cell Surface Binding. J.Mol.Biol. 2010 397 1287 0 3DLW 20837024 Antichymotrypsin 2008-06-29 2009-07-07 Pearce, M.C.,Powers, G.A.,Feil, S.C.,Hansen, G.,Parker, M.W.,Bottomley, S.P. Identification and characterization of a misfolded monomeric serpin formed at physiological temperature J.Mol.Biol. 2010 403 459 467 3GYT 19497877 Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4 2009-04-05 2009-07-07 Wang, Z.,Zhou, X.E.,Motola, D.L.,Gao, X.,Suino-Powell, K.,Conneely, A.,Ogata, C.,Sharma, K.K.,Auchus, R.J.,Lok, J.B.,Hawdon, J.M.,Kliewer, S.A.,Xu, H.E.,Mangelsdorf, D.J. Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA 2009 106 9138 9143 3GYU 19497877 Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 7 2009-04-05 2009-07-07 Wang, Z.,Zhou, X.E.,Motola, D.L.,Gao, X.,Suino-Powell, K.,Conneely, A.,Ogata, C.,Sharma, K.K.,Auchus, R.J.,Lok, J.B.,Hawdon, J.M.,Kliewer, S.A.,Xu, H.E.,Mangelsdorf, D.J. Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA 2009 106 9138 9143 3HRM 19586910 Crystal structure of Staphylococcus aureus protein SarZ in sulfenic acid form 2009-06-09 2009-07-07 Poor, C.B.,Chen, P.R.,Duguid, E.,Rice, P.A.,He, C. Crystal structures of the reduced, sulfenic acid, and mixed disulfide forms of SarZ, a redox active global regulator in Staphylococcus aureus. J.Biol.Chem. 2009 284 23517 23524 3HSR 19586910 Crystal structure of Staphylococcus aureus protein SarZ in mixed disulfide form 2009-06-10 2009-07-07 Poor, C.B.,Chen, P.R.,Duguid, E.,Rice, P.A.,He, C. Crystal structures of the reduced, sulfenic acid, and mixed disulfide forms of SarZ, a redox active global regulator in Staphylococcus aureus. J.Biol.Chem. 2009 284 23517 23524 3HTY Crystal structure of a lipocalin-like protein (BT_0869) from Bacteroides thetaiotaomicron VPI-5482 at 1.95 A resolution 2009-06-12 2009-07-07 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein BT_0869 from Bacteroides thetaiotaomicron VPI-5482 (NP_809782.1) at 1.95 A resolution To be Published 0 0 0 0 3I44 Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution 2009-07-01 2009-07-14 Abendroth, J.,Staker, B. Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution To be Published 0 0 0 0 3HC7 19555454 Crystal structure of lysin B from Mycobacteriophage D29 2009-05-05 2009-07-21 Payne, K.,Sun, Q.,Sacchettini, J.,Hatfull, G.F. Mycobacteriophage Lysin B is a novel mycolylarabinogalactan esterase Mol.Microbiol. 2009 73 367 381 3I2V Crystal structure of human MOCS3 rhodanese-like domain 2009-06-29 2009-07-21 Bacik, J.P.,Walker, J.R.,Lopez, L.,Li, Y.,Weigelt, J.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.M.,Bochkarev, A.,Dhe-Paganon, S. Crystal structure of the human MOCS3 rhodanese-like domain To be Published 0 0 0 0 3I3T 23287719 Crystal structure of covalent ubiquitin-USP21 complex 2009-06-30 2009-07-21 Ernst, A.,Avvakumov, G.,Tong, J.,Fan, Y.,Zhao, Y.,Alberts, P.,Persaud, A.,Walker, J.R.,Neculai, A.M.,Neculai, D.,Vorobyov, A.,Garg, P.,Beatty, L.,Chan, P.K.,Juang, Y.C.,Landry, M.C.,Yeh, C.,Zeqiraj, E.,Karamboulas, K.,Allali-Hassani, A.,Vedadi, M.,Tyers, M.,Moffat, J.,Sicheri, F.,Pelletier, L.,Durocher, D.,Raught, B.,Rotin, D.,Yang, J.,Moran, M.F.,Dhe-Paganon, S.,Sidhu, S.S. A strategy for modulation of enzymes in the ubiquitin system. Science 2013 339 590 595 3H7N 19706512 Structure of Nup120 2009-04-27 2009-08-18 Seo, H.S.,Ma, Y.,Debler, E.W.,Wacker, D.,Kutik, S.,Blobel, G.,Hoelz, A. Structural and functional analysis of Nup120 suggests ring formation of the Nup84 complex. Proc.Natl.Acad.Sci.USA 2009 106 14281 14286 3HYR 19629046 Structural Insight into G Protein Coupling and Regulation of Fe2+ Membrane Transport 2009-06-23 2009-08-25 Guilfoyle, A.,Maher, M.J.,Rapp, M.,Clarke, R.,Harrop, S.,Jormakka, M. Structural basis of GDP release and gating in G protein coupled Fe2+ transport. Embo J. 2009 28 2677 2685 3HYT 19629046 Structural Basis of GDP Release and Gating in G Protein Coupled Fe2+ Transport 2009-06-23 2009-08-25 Guilfoyle, A.,Maher, M.J.,Rapp, M.,Clarke, R.,Harrop, S.,Jormakka, M. Structural basis of GDP release and gating in G protein coupled Fe(2+) transport. Embo J. 2009 0 0 0 3IMO 23349695 Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS14 2009-08-11 2009-08-25 Sureshan, V.,Deshpande, C.N.,Boucher, Y.,Koenig, J.E.,Stokes, H.W.,Harrop, S.J.,Curmi, P.M.G.,Mabbutt, B.C. 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J.Biol.Chem. 2009 284 31776 31788 3IVS 19776021 Homocitrate Synthase Lys4 2009-09-01 2009-09-22 Bulfer, S.L.,Scott, E.M.,Couture, J.F.,Pillus, L.,Trievel, R.C. Crystal structure and functional analysis of homocitrate synthase, an essential enzyme in lysine biosynthesis. J.Biol.Chem. 2009 284 35769 35780 3IWL 19807176 Crystal structure of cisplatin bound to a human copper chaperone (monomer) 2009-09-02 2009-09-22 Boal, A.K.,Rosenzweig, A.C. Crystal structures of cisplatin bound to a human copper chaperone. J.Am.Chem.Soc. 2009 131 14196 14197 3HTX 19812675 Crystal structure of small RNA methyltransferase HEN1 2009-06-12 2009-09-29 Huang, Y.,Ji, L.,Huang, Q.,Vassylyev, D.G.,Chen, X.,Ma, J.B. Structural insights into mechanisms of the small RNA methyltransferase HEN1. Nature 2009 461 823 827 3HH5 19688806 New azaborine compounds bind to the T4 lysozyme L99A cavity - 1-ethyl-2-hydro-1,2-azaborine 2009-05-14 2009-10-13 Liu, L.,Marwitz, A.J.,Matthews, B.W.,Liu, S.Y. Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme. Angew.Chem.Int.Ed.Engl. 2009 48 6817 6819 3IS5 Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720 2009-08-25 2009-10-20 Wernimont, A.K.,Artz, J.D.,Senisterra, G.,MacKenzie, F.,Hutchinson, A.,Kozieradzki, I.,Cossar, D.,Bochkarev, A.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Weigelt, J.,Hui, R.,Lin, Y.H. Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720 To be Published 0 0 0 0 3ITU 19828435 hPDE2A catalytic domain complexed with IBMX 2009-08-28 2009-10-27 Pandit, J.,Forman, M.D.,Fennell, K.F.,Dillman, K.S.,Menniti, F.S. Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct. 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Cell 2020 182 357 0 6WC2 32681840 Crystal Structure of a Ternary MEF2 Chimera/NKX2-5/myocardin enhancer DNA Complex 2020-03-29 2020-07-22 Lei, X.,Zhao, J.,Sagendorf, J.M.,Rajashekar, N.,Xu, J.,Dantas Machado, A.C.,Sen, C.,Rohs, R.,Feng, P.,Chen, L. Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface. J.Mol.Biol. 2020 432 5499 5508 6WC5 32681840 Crystal Structure of a Ternary MEF2B/NKX2-5/myocardin enhancer DNA Complex 2020-03-29 2020-07-22 Lei, X.,Zhao, J.,Sagendorf, J.M.,Rajashekar, N.,Xu, J.,Dantas Machado, A.C.,Sen, C.,Rohs, R.,Feng, P.,Chen, L. Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface. 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J.Biol.Chem. 2020 295 14793 14804 6WYR 32820331 Crystal structure of anti-Muscle Specific Kinase (MuSK) Fab, MuSK1A 2020-05-13 2020-07-29 Fichtner, M.L.,Vieni, C.,Redler, R.L.,Kolich, L.,Jiang, R.,Takata, K.,Stathopoulos, P.,Suarez, P.A.,Nowak, R.J.,Burden, S.J.,Ekiert, D.C.,O'Connor, K.C. Affinity maturation is required for pathogenic monovalent IgG4 autoantibody development in myasthenia gravis. J.Exp.Med. 2020 217 0 0 6WYT 32820331 Crystal structure of anti-Muscle Specific Kinase (MuSK) Fab, MuSK1B 2020-05-13 2020-07-29 Fichtner, M.L.,Vieni, C.,Redler, R.L.,Kolich, L.,Jiang, R.,Takata, K.,Stathopoulos, P.,Suarez, P.A.,Nowak, R.J.,Burden, S.J.,Ekiert, D.C.,O'Connor, K.C. Affinity maturation is required for pathogenic monovalent IgG4 autoantibody development in myasthenia gravis. 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Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments. Structure 2021 29 29 0 6U1Q 32841296 Crystal Structure of VpsO (VC0937) Kinase domain 2019-08-16 2020-08-19 Schwechheimer, C.,Hebert, K.,Tripathi, S.,Singh, P.K.,Floyd, K.A.,Brown, E.R.,Porcella, M.E.,Osorio, J.,Kiblen, J.T.M.,Pagliai, F.A.,Drescher, K.,Rubin, S.M.,Yildiz, F.H. A tyrosine phosphoregulatory system controls exopolysaccharide biosynthesis and biofilm formation in Vibrio cholerae. Plos Pathog. 2020 16 0 0 6WKZ 34345355 Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE 2020-04-17 2020-08-19 Tanaka, Y.,Kurasawa, O.,Yokota, A.,Klein, M.G.,Saito, B.,Matsumoto, S.,Okaniwa, M.,Ambrus-Aikelin, G.,Uchiyama, N.,Morishita, D.,Kimura, H.,Imamura, S. New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase. 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J Struct Biol X 2020 4 100035 100035 6U9I 32923978 Crystal structure of BvnE pinacolase from Penicillium brevicompactum 2019-09-09 2020-09-09 Ye, Y.,Du, L.,Zhang, X.,Newmister, S.A.,McCauley, M.,Alegre-Requena, J.V.,Zhang, W.,Mu, S.,Minami, A.,Fraley, A.E.,Adrover-Castellano, M.L.,Carney, N.A.,Shende, V.V.,Qi, F.,Oikawa, H.,Kato, H.,Tsukamoto, S.,Paton, R.S.,Williams, R.M.,Sherman, D.H.,Li, S. Fungal-derived brevianamide assembly by a stereoselective semipinacolase. Nat Catal 2020 3 497 506 6W4V 32814342 Structure of anti-ferroportin Fab45D8 2020-03-11 2020-09-09 Billesbolle, C.B.,Azumaya, C.M.,Kretsch, R.C.,Powers, A.S.,Gonen, S.,Schneider, S.,Arvedson, T.,Dror, R.O.,Cheng, Y.,Manglik, A. Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature 2020 586 807 811 6UBL 34981769 Structure of DynF from the Dynemicin Biosynthesis Pathway of Micromonospora chersina 2019-09-12 2020-09-16 Kosgei, A.J.,Miller, M.D.,Bhardwaj, M.,Xu, W.,Thorson, J.S.,Van Lanen, S.G.,Phillips Jr., G.N. The crystal structure of DynF from the dynemicin-biosynthesis pathway of Micromonospora chersina. Acta Crystallogr.,Sect.F 2022 78 1 7 6VOS 32866207 Crystal structure of macaque anti-HIV-1 antibody RM20J 2020-01-31 2020-09-16 Cottrell, C.A.,van Schooten, J.,Bowman, C.A.,Yuan, M.,Oyen, D.,Shin, M.,Morpurgo, R.,van der Woude, P.,van Breemen, M.,Torres, J.L.,Patel, R.,Gross, J.,Sewall, L.M.,Copps, J.,Ozorowski, G.,Nogal, B.,Sok, D.,Rakasz, E.G.,Labranche, C.,Vigdorovich, V.,Christley, S.,Carnathan, D.G.,Sather, D.N.,Montefiori, D.,Silvestri, G.,Burton, D.R.,Moore, J.P.,Wilson, I.A.,Sanders, R.W.,Ward, A.B.,van Gils, M.J. Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates. Plos Pathog. 2020 16 0 0 6WA8 32880587 Crystal structure of the E. coli transcription termination factor Rho 2020-03-24 2020-09-16 Fan, C.,Rees, D.C. Crystal structure of the Escherichia coli transcription termination factor Rho. Acta Crystallogr.,Sect.F 2020 76 398 405 6WGT Crystal structure of HTR2A with hallucinogenic agonist 2020-04-06 2020-09-23 Kim, K.L.,Che, T.,Panova, O.,DiBerto, J.F.,Lyu, J.,Krumm, B.E.,Wacker, D.,Robertson, M.J.,Seven, A.B.,Nichols, D.E.,Shoichet, B.K.,Skiniotis, G.,Roth, B.L. Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.) 2020 182 1574 1588 6WH4 Crystal structure of HTR2A with inverse agonist 2020-04-07 2020-09-23 Kim, K.L.,Che, T.,Panova, O.,DiBerto, J.F.,Lyu, J.,Krumm, B.E.,Wacker, D.,Robertson, M.J.,Seven, A.B.,Nichols, D.E.,Shoichet, B.K.,Skiniotis, G.,Roth, B.L. 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Nat Commun 2020 11 5066 5066 6XFU 32998902 PmtCD peptide exporter basket domain 2020-06-16 2020-10-14 Zeytuni, N.,Dickey, S.W.,Hu, J.,Chou, H.T.,Worrall, L.J.,Alexander, J.A.N.,Carlson, M.L.,Nosella, M.,Duong, F.,Yu, Z.,Otto, M.,Strynadka, N.C.J. Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins Sci Adv 2020 6 0 0 6XRK 33454012 GH5-4 broad specificity endoglucanase from an uncultured bovine rumen ciliate 2020-07-13 2020-10-28 Glasgow, E.M.,Kemna, E.I.,Bingman, C.A.,Ing, N.,Deng, K.,Bianchetti, C.M.,Takasuka, T.E.,Northen, T.R.,Fox, B.G. A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. 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Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published 0 0 0 0 5R46 Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, room temperature 2020-02-18 2021-09-01 Kreinbring, C.A.,Wilson, M.A.,Kovalevsky, A.Y.,Blakeley, M.P.,Fisher, S.Z.,Lazar, L.M.,Moulin, A.G.,Novak, W.R.,Petsko, G.A.,Ringe, D. Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published 0 0 0 0 5R47 Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, cryo temperature 2020-02-18 2021-09-01 Kreinbring, C.A.,Wilson, M.A.,Kovalevsky, A.Y.,Blakeley, M.P.,Fisher, S.Z.,Lazar, L.M.,Moulin, A.G.,Novak, W.R.,Petsko, G.A.,Ringe, D. Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published 0 0 0 0 5R48 Crystal Structure of gamma-Chymotrypsin at pH 5.6, room temperature 2020-02-18 2021-09-01 Kreinbring, C.A.,Wilson, M.A.,Kovalevsky, A.Y.,Blakeley, M.P.,Fisher, S.Z.,Lazar, L.M.,Moulin, A.G.,Novak, W.R.,Petsko, G.A.,Ringe, D. Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published 0 0 0 0 5R49 Crystal Structure of gamma-Chymotrypsin at pH 5.6, cryo temperature 2020-02-18 2021-09-01 Kreinbring, C.A.,Wilson, M.A.,Kovalevsky, A.Y.,Blakeley, M.P.,Fisher, S.Z.,Lazar, L.M.,Moulin, A.G.,Novak, W.R.,Petsko, G.A.,Ringe, D. Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published 0 0 0 0 5R4A Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, room temperature 2020-02-18 2021-09-01 Kreinbring, C.A.,Wilson, M.A.,Kovalevsky, A.Y.,Blakeley, M.P.,Fisher, S.Z.,Lazar, L.M.,Moulin, A.G.,Novak, W.R.,Petsko, G.A.,Ringe, D. Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published 0 0 0 0 5R4B Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, cryo temperature 2020-02-18 2021-09-01 Kreinbring, C.A.,Wilson, M.A.,Kovalevsky, A.Y.,Blakeley, M.P.,Fisher, S.Z.,Lazar, L.M.,Moulin, A.G.,Novak, W.R.,Petsko, G.A.,Ringe, D. 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Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors. Iscience 2022 25 103590 103590 7T36 Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322 2021-12-07 2022-01-19 Karim, M.R.,Schonbrunn, E. Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322 To Be Published 0 0 0 0 7RLW 35023832 Antibody 2F2 in complex with P. vivax CSP peptide GDRAAGQPAGDRAAGQPA 2021-07-26 2022-01-26 Kucharska, I.,Hossain, L.,Ivanochko, D.,Yang, Q.,Rubinstein, J.L.,Pomes, R.,Julien, J.P. Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats. Elife 2022 11 0 0 7RLX 35023832 Antibody 2F2 in complex with P. vivax CSP peptide GDRADGQPAGDRAAGQPA 2021-07-26 2022-01-26 Kucharska, I.,Hossain, L.,Ivanochko, D.,Yang, Q.,Rubinstein, J.L.,Pomes, R.,Julien, J.P. 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Plos Pathog. 2023 19 0 0 8GC0 37384622 Crystal structure of PC39-50L, an anti-HIV broadly neutralizing antibody 2023-02-28 2023-06-07 Joyce, C.,Murrell, S.,Murrell, B.,Omorodion, O.,Ver, L.S.,Carrico, N.,Bastidas, R.,Nedellec, R.,Bick, M.,Woehl, J.,Zhao, F.,Burns, A.,Barman, S.,Appel, M.,Ramos, A.,Wickramasinghe, L.,Eren, K.,Vollbrecht, T.,Smith, D.M.,Kosakovsky Pond, S.L.,McBride, R.,Worth, C.,Batista, F.,Sok, D.,Poignard, P.,Briney, B.,Wilson, I.A.,Landais, E.,Burton, D.R. Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog. 2023 19 0 0 8GH5 37220213 Implementing Logic Gates in DNA Crystal Engineering 2023-03-09 2023-06-07 Zhang, C.,Paluzzi, V.E.,Sha, R.,Jonoska, N.,Mao, C. Implementing Logic Gates by DNA Crystal Engineering. Adv Mater 2023 35 0 0 8SLB 37394032 X-ray structure of CorA N-terminal domain in complex with conformation-specific synthetic antibody C12 2023-04-21 2023-06-07 Erramilli, S.K.,Dominik, P.K.,Deneka, D.,Tokarz, P.,Kim, S.S.,Reddy, B.G.,Skrobek, B.M.,Dalmas, O.,Perozo, E.,Kossiakoff, A.A. Conformation-specific Synthetic Antibodies Discriminate Multiple Functional States of the Ion Channel CorA. J.Mol.Biol. 2023 435 168192 168192 8ELQ 37276407 Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-255 2022-09-26 2023-07-05 Misson Mindrebo, L.,Liu, H.,Ozorowski, G.,Tran, Q.,Woehl, J.,Khalek, I.,Smith, J.M.,Barman, S.,Zhao, F.,Keating, C.,Limbo, O.,Verma, M.,Liu, J.,Stanfield, R.L.,Zhu, X.,Turner, H.L.,Sok, D.,Huang, P.S.,Burton, D.R.,Ward, A.B.,Wilson, I.A.,Jardine, J.G. Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins. 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Science 2023 381 794 799 8GMB 38189455 Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible) 2023-03-24 2023-08-16 Lin, D.Y.,Kueffer, L.E.,Juneja, P.,Wales, T.E.,Engen, J.R.,Andreotti, A.H. Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife 2024 12 0 0 8S9F 38189455 Crystal structure of the kinase domain of Bruton's Tyrosine Kinase bound to dasatinib 2023-03-28 2023-08-16 Lin, D.Y.,Kueffer, L.E.,Juneja, P.,Wales, T.E.,Engen, J.R.,Andreotti, A.H. Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife 2024 12 0 0 8FY6 37595260 SARS-CoV-2 main protease in complex with covalent inhibitor 2023-01-25 2023-08-30 Ngo, C.,Fried, W.,Aliyari, S.,Feng, J.,Qin, C.,Zhang, S.,Yang, H.,Shanaa, J.,Feng, P.,Cheng, G.,Chen, X.S.,Zhang, C. Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. 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Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors. Plos Pathog. 2023 19 0 0 8T24 37747935 Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)- Fructose bound in CBM 2023-06-05 2023-10-04 Clark, N.D.,Pham, C.,Kurniyati, K.,Sze, C.W.,Coleman, L.,Fu, Q.,Zhang, S.,Malkowski, M.G.,Li, C. Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors. Plos Pathog. 2023 19 0 0 8SOT 37830812 Structure of the PPIase domain of borrelial BB0108 2023-04-30 2023-10-11 Foor, S.D.,Brangulis, K.,Shakya, A.K.,Rana, V.S.,Bista, S.,Kitsou, C.,Ronzetti, M.,Alreja, A.B.,Linden, S.B.,Altieri, A.S.,Baljinnyam, B.,Akopjana, I.,Nelson, D.C.,Simeonov, A.,Herzberg, O.,Caimano, M.J.,Pal, U. A unique borrelial protein facilitates microbial immune evasion. 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Science 2023 382 423 429 8SCR 37883544 Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 4h 2023-04-05 2023-10-25 Lelyveld, V.S.,Fang, Z.,Szostak, J.W. Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science 2023 382 423 429 8SCS 37883544 Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 8h 2023-04-05 2023-10-25 Lelyveld, V.S.,Fang, Z.,Szostak, J.W. Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science 2023 382 423 429 8SCT 37883544 Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 24h 2023-04-05 2023-10-25 Lelyveld, V.S.,Fang, Z.,Szostak, J.W. Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science 2023 382 423 429 8SCU 37883544 Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 48h (Product State) 2023-04-05 2023-10-25 Lelyveld, V.S.,Fang, Z.,Szostak, J.W. Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science 2023 382 423 429 8ESL Bile Salt Hydrolase from a Bacteroidales species with covalent inhibitor bound 2022-10-14 2023-11-01 Walker, M.E.,Redinbo, M.R. Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity To Be Published 0 0 0 0 8F95 38007690 Crystal structure of Ky15.2 Fab in complex with circumsporozoite protein DND peptide 2022-11-23 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8F9E 38007690 Crystal structure of Ky15.2 Fab in complex with circumsporozoite protein KQPA peptide 2022-11-23 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8F9F 38007690 Crystal structure of Ky15.2 Fab in complex with circumsporozoite protein NANP3 peptide 2022-11-23 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8F9S 38007690 Crystal structure of Ky15.2 Fab in complex with circumsporozoite protein NDN peptide 2022-11-24 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8F9U 38007690 Crystal structure of Ky15.7 Fab in complex with circumsporozoite protein NPDP peptide 2022-11-24 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8F9V 38007690 Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein KQPA peptide 2022-11-24 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8F9W 38007690 Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein NPDP peptide 2022-11-24 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8FB8 38007690 Crystal structure of Ky15.10-Y100EK Fab in complex with circumsporozoite protein KQPA peptide 2022-11-29 2023-11-01 Thai, E.,Murugan, R.,Binter, S.,Burn Aschner, C.,Prieto, K.,Kassardjian, A.,Obraztsova, A.S.,Kang, R.W.,Flores-Garcia, Y.,Mathis-Torres, S.,Li, K.,Horn, G.Q.,Huntwork, R.H.C.,Bolscher, J.M.,de Bruijni, M.H.C.,Sauerwein, R.,Dennison, S.M.,Tomaras, G.D.,Zavala, F.,Kellam, P.,Wardemann, H.,Julien, J.P. Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep 2023 42 113330 113330 8SUT 38047707 Crystal structure of YisK from Bacillus subtilis in complex with reaction product 4-Hydroxy-2-oxoglutaric acid 2023-05-13 2023-11-01 Guo, T.,Sperber, A.M.,Krieger, I.V.,Duan, Y.,Chemelewski, V.R.,Sacchettini, J.C.,Herman, J.K. Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol. 2024 206 0 0 8SUU 38047707 Crystal structure of YisK from Bacillus subtilis in apo form 2023-05-13 2023-11-01 Guo, T.,Sperber, A.M.,Krieger, I.V.,Duan, Y.,Chemelewski, V.R.,Sacchettini, J.C.,Herman, J.K. Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol. 2024 206 0 0 8CVA Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and 6-OH-hyoscyamine 2022-05-18 2023-11-22 Wenger, E.S.,Boal, A.K.,Bollinger, J.M.,Krebs, C. Structure of the H6H hydroxylation product complex To Be Published 0 0 0 0 8CVD Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and scopolamine 2022-05-18 2023-11-22 Wenger, E.S.,Boal, A.K.,Bollinger, J.M.,Krebs, C. Structure of the H6H cyclization product complex To Be Published 0 0 0 0 8CVE Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and hyoscyamine 2022-05-18 2023-11-22 Wenger, E.S.,Boal, A.K.,Bollinger, J.M.,Krebs, C. Structure of the L289F H6H hydroxylation reactant complex To Be Published 0 0 0 0 8CVF Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine 2022-05-18 2023-11-22 Wenger, E.S.,Boal, A.K.,Bollinger, J.M.,Krebs, C. Structure of the L289F H6H ferryl-mimicking complex To Be Published 0 0 0 0 8F7I 38308044 The condensation domain of surfactin A synthetase C variant 18b in space group P43212 2022-11-18 2023-11-22 Folger, I.B.,Frota, N.F.,Pistofidis, A.,Niquille, D.L.,Hansen, D.A.,Schmeing, T.M.,Hilvert, D. High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol. 2024 0 0 0 8FBX 37966244 Selenosugar synthase SenB from Variovorax paradoxus 2022-11-30 2023-11-22 Ireland, K.A.,Kayrouz, C.M.,Huang, J.,Seyedsayamdost, M.R.,Davis, K.M. Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis. Biochemistry 2023 62 3337 3342 8T5Q 38005906 SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain 2023-06-14 2023-11-29 Busscher, B.M.,Befekadu, H.B.,Liu, Z.,Xiao, T.S. SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence. Viruses 2023 15 0 0 8T9O 37490761 Crystal structure of CF, a heterohexamer of the 4-oxalocrotonate tautomerase (4-OT) family 2023-06-24 2023-12-06 Erwin, K.,Moreno, R.Y.,Baas, B.J.,Zhang, Y.J.,Whitman, C.P. Introduction of Asymmetry in the Fused 4-Oxalocrotonate Tautomerases. Biochemistry 2023 62 2461 2471 8T9P 37490761 Crystal Structure of YR, a heterohexamer of the 4-oxalocrotonate tautomerase (4-OT) family 2023-06-24 2023-12-06 Erwin, K.,Moreno, R.Y.,Baas, B.J.,Zhang, Y.J.,Whitman, C.P. Introduction of Asymmetry in the Fused 4-Oxalocrotonate Tautomerases. Biochemistry 2023 62 2461 2471 8T9Q 37490761 Crystal structure of fused YR, an asymmetric 4-OT trimer 2023-06-24 2023-12-06 Erwin, K.,Moreno, R.Y.,Baas, B.J.,Zhang, Y.J.,Whitman, C.P. Introduction of Asymmetry in the Fused 4-Oxalocrotonate Tautomerases. Biochemistry 2023 62 2461 2471 8D4R Crystal Structure of Mosaic HIV-1 Envelope (MosM3.2) in Complex with antibodies PGT124 and 35O22 at 3.8 Angstrom 2022-06-02 2023-12-13 Xian, Y.,Wilson, A. The domain-swaped dimer of the HIV-1 CD4bs targeting antibody 21N13 To Be Published 0 0 0 0 8F9C Compound 20 bound to procaspase-6 2022-11-23 2023-12-13 Fan, P.,Zhao, Y.,Renslo, A.R.,Arkin, M.R. A Comprehensive Empirical-Computational Study of Diverse Heteroarene Stacking Interactions Under Physiological Conditions To Be Published 0 0 0 0 8SPC 37555759 Crystal structure of the cytochrome P450 enzyme RufO 2023-05-02 2023-12-13 Dratch, B.D.,McWhorter, K.L.,Blue, T.C.,Jones, S.K.,Horwitz, S.M.,Davis, K.M. Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO. Acs Chem.Biol. 2023 18 1713 1718 8UAQ 38016297 Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21 2023-09-21 2023-12-13 Chen, Y.,Sonawane, A.,Manda, R.,Gadi, R.K.,Tesmer, J.J.G.,Ghosh, A.K. Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes. Eur.J.Med.Chem. 2023 264 115931 115931 8UN3 38229748 KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) 2023-10-18 2023-12-20 Nilewski, C.,Labadie, S.,Wei, B.,Malhotra, S.,Do, S.,Gazzard, L.,Liu, L.,Shao, C.,Murray, J.,Izrayelit, Y.,Gustafson, A.,Endres, N.F.,Ma, F.,Ye, X.,Zou, J.,Evangelista, M. Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors. Acs Med.Chem.Lett. 2024 15 21 28 8UN4 38229748 KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one) 2023-10-18 2023-12-20 Nilewski, C.,Labadie, S.,Wei, B.,Malhotra, S.,Do, S.,Gazzard, L.,Liu, L.,Shao, C.,Murray, J.,Izrayelit, Y.,Gustafson, A.,Endres, N.F.,Ma, F.,Ye, X.,Zou, J.,Evangelista, M. Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors. Acs Med.Chem.Lett. 2024 15 21 28 8UN5 38229748 KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one) 2023-10-18 2023-12-20 Nilewski, C.,Labadie, S.,Wei, B.,Malhotra, S.,Do, S.,Gazzard, L.,Liu, L.,Shao, C.,Murray, J.,Izrayelit, Y.,Gustafson, A.,Endres, N.F.,Ma, F.,Ye, X.,Zou, J.,Evangelista, M. Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors. Acs Med.Chem.Lett. 2024 15 21 28 8UX2 38159861 Chromobacterium violaceum mono-ADP-ribosyltransferase CteC in complex with NAD+ 2023-11-08 2024-01-17 Zhang, Z.,Rondon-Cordero, H.M.,Das, C. Crystal structure of bacterial ubiquitin ADP-ribosyltransferase CteC reveals a substrate-recruiting insertion. J.Biol.Chem. 2023 300 105604 105604 8FEO 38293747 16mer self-complementary duplex RNA with two separated native U:U pairs 2022-12-06 2024-01-24 Ding, D.,Fang, Z.,Kim, S.C.,O'Flaherty, D.K.,Jia, X.,Stone, T.B.,Zhou, L.,Szostak, J.W. Unusual Base Pair between Two 2-Thiouridines and Its Implication for Nonenzymatic RNA Copying. J.Am.Chem.Soc. 2024 146 3861 3871 8FEP 38293747 16mer self-complementary duplex RNA with two continuous native U:U pairs 2022-12-06 2024-01-24 Ding, D.,Fang, Z.,Kim, S.C.,O'Flaherty, D.K.,Jia, X.,Stone, T.B.,Zhou, L.,Szostak, J.W. Unusual Base Pair between Two 2-Thiouridines and Its Implication for Nonenzymatic RNA Copying. J.Am.Chem.Soc. 2024 146 3861 3871 8SY2 38355722 Peanut USP-type BURP Domain Peptide Cyclase 2023-05-24 2024-02-14 Mydy, L.S.,Hungerford, J.,Chigumba, D.N.,Konwerski, J.R.,Jantzi, S.C.,Wang, D.,Smith, J.L.,Kersten, R.D. An intramolecular macrocyclase in plant ribosomal peptide biosynthesis. Nat.Chem.Biol. 2024 20 530 540 8SY3 38355722 Copper Complex of Peanut USP-type BURP Domain Peptide Cyclase 2023-05-24 2024-02-14 Mydy, L.S.,Hungerford, J.,Chigumba, D.N.,Konwerski, J.R.,Jantzi, S.C.,Wang, D.,Smith, J.L.,Kersten, R.D. An intramolecular macrocyclase in plant ribosomal peptide biosynthesis. Nat.Chem.Biol. 2024 20 530 540 8TJ8 38307019 CRYSTAL STRUCTURE OF THE A/Moscow/10/1999(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN 2023-07-20 2024-02-14 Thompson, A.J.,Wu, N.C.,Canales, A.,Kikuchi, C.,Zhu, X.,de Toro, B.F.,Canada, F.J.,Worth, C.,Wang, S.,McBride, R.,Peng, W.,Nycholat, C.M.,Jimenez-Barbero, J.,Wilson, I.A.,Paulson, J.C. Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe 2024 32 261 0 8G8V GTP Cyclohydrolase-IB with sodium 2023-02-20 2024-02-21 Zhang, Y.,McWhorter, K.L.,Rosen, P.,Klaus, J.,Gallant, E.,Amaya Lopez, C.Y.,Jhunjhunwala, R.,Chandler, J.,Davis, K.M.,Seyedsayamdost, M.R. Combatting melioidosis with chemical synthetic lethality To Be Published 0 0 0 0 8W2W Structure of transthyretin synthetic mutation A120L 2024-02-21 2024-02-28 Sun, X.,Ferguson, J.A.,Yang, K.,Stanfield, R.L.,Dyson, H.J.,Wright, P.E. The mispacked F87 sidechain drives aggregation-promoting conformational fluctuations in transthyretin To Be Published 0 0 0 0 8UPS 38365209 Structure of SARS-Cov2 3CLPro in complex with Compound 5 2023-10-23 2024-03-06 Shurtleff, V.W.,Layton, M.E.,Parish, C.A.,Perkins, J.J.,Schreier, J.D.,Wang, Y.,Adam, G.C.,Alvarez, N.,Bahmanjah, S.,Bahnck-Teets, C.M.,Boyce, C.W.,Burlein, C.,Cabalu, T.D.,Campbell, B.T.,Carroll, S.S.,Chang, W.,de Lera Ruiz, M.,Dolgov, E.,Fay, J.F.,Fox, N.G.,Goh, S.L.,Hartingh, T.J.,Hurzy, D.M.,Kelly 3rd, M.J.,Klein, D.J.,Klingler, F.M.,Krishnamurthy, H.,Kudalkar, S.,Mayhood, T.W.,McKenna, P.M.,Murray, E.M.,Nahas, D.,Nawrat, C.C.,Park, S.,Qian, D.,Roecker, A.J.,Sharma, V.,Shipe, W.D.,Su, J.,Taggart, R.V.,Truong, Q.,Wu, Y.,Zhou, X.,Zhuang, N.,Perlin, D.S.,Olsen, D.B.,Howe, J.A.,McCauley, J.A. Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem. 2024 67 3935 3958 8SDF 37162858 Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.4 2023-04-06 2024-03-13 Song, G.,Yuan, M.,Liu, H.,Capozzola, T.,Lin, R.N.,Torres, J.L.,He, W.T.,Musharrafieh, R.,Dueker, K.,Zhou, P.,Callaghan, S.,Mishra, N.,Yong, P.,Anzanello, F.,Avillion, G.,Vo, A.L.,Li, X.,Makhdoomi, M.,Feng, Z.,Zhu, X.,Peng, L.,Nemazee, D.,Safonova, Y.,Briney, B.,Ward, A.B.,Burton, D.R.,Wilson, I.A.,Andrabi, R. Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift. Biorxiv 2023 0 0 0 8SDG 37162858 Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.43 2023-04-06 2024-03-13 Song, G.,Yuan, M.,Liu, H.,Capozzola, T.,Lin, R.N.,Torres, J.L.,He, W.T.,Musharrafieh, R.,Dueker, K.,Zhou, P.,Callaghan, S.,Mishra, N.,Yong, P.,Anzanello, F.,Avillion, G.,Vo, A.L.,Li, X.,Makhdoomi, M.,Feng, Z.,Zhu, X.,Peng, L.,Nemazee, D.,Safonova, Y.,Briney, B.,Ward, A.B.,Burton, D.R.,Wilson, I.A.,Andrabi, R. Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift. Biorxiv 2023 0 0 0 8SIR Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC25.54 Fab 2023-04-16 2024-03-13 Song, G.,Yuan, M.,Liu, H.,Capozzola, T.,Lin, R.,Torres, J.,He, W.,Musharrafieh, R.,Dueker, K.,Zhou, P.,Callaghan, S.,Mishra, N.,Yong, P.,Anzanello, F.,Avillion, G.,Vo, A.,Li, X.,Makhdoomi, M.,Feng, Z.,Zhu, X.,Peng, L.,Nemazee, D.,Safonova, Y.,Briney, B.,Ward, A.,Burton, D.,Wilson, I.,Andrabi, R. Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift Biorxiv 2023 0 0 0 8SIS Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.2 Fab 2023-04-16 2024-03-13 Song, G.,Yuan, M.,Liu, H.,Capozzola, T.,Lin, R.,Torres, J.,He, W.,Musharrafieh, R.,Dueker, K.,Zhou, P.,Callaghan, S.,Mishra, N.,Yong, P.,Anzanello, F.,Avillion, G.,Vo, A.,Li, X.,Makhdoomi, M.,Feng, Z.,Zhu, X.,Peng, L.,Nemazee, D.,Safonova, Y.,Briney, B.,Ward, A.,Burton, D.,Wilson, I.,Andrabi, R. Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift Biorxiv 2023 0 0 0 8SIT Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.24 Fab 2023-04-16 2024-03-13 Song, G.,Yuan, M.,Liu, H.,Capozzola, T.,Lin, R.,Torres, J.,He, W.,Musharrafieh, R.,Dueker, K.,Zhou, P.,Callaghan, S.,Mishra, N.,Yong, P.,Anzanello, F.,Avillion, G.,Vo, A.,Li, X.,Makhdoomi, M.,Feng, Z.,Zhu, X.,Peng, L.,Nemazee, D.,Safonova, Y.,Briney, B.,Ward, A.,Burton, D.,Wilson, I.,Andrabi, R. Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift Biorxiv 2023 0 0 0 8V07 38537643 Crystal structure of mouse PLD3 co-crystallized with 5'Pi-ssDNA for 30 days 2023-11-17 2024-03-13 Yuan, M.,Peng, L.,Huang, D.,Gavin, A.,Luan, F.,Tran, J.,Feng, Z.,Zhu, X.,Matteson, J.,Wilson, I.A.,Nemazee, D. Structural and mechanistic insights into disease-associated endolysosomal exonucleases PLD3 and PLD4. Structure 2024 0 0 0 8W0Y 38518779 Crystal structure of broadly neutralizing antibody hcab17 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain 2024-02-14 2024-03-27 Ogega, C.O.,Skinner, N.E.,Schoenle, M.V.,Wilcox, X.E.,Frumento, N.,Wright, D.A.,Paul, H.T.,Sinnis-Bourozikas, A.,Clark, K.E.,Figueroa, A.,Bjorkman, P.J.,Ray, S.C.,Flyak, A.I.,Bailey, J.R. Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance. Immunity 2024 57 890 0 8FRE Designed loop protein RBL4 2023-01-06 2024-04-17 Jiang, H.,Jude, K.M.,Garcia, K.C.,Baker, D. Designed repeat proteins with buttressed loops To Be Published 0 0 0 0 8SF2 Crystal structure of the engineered SsoPox variant IG7 2023-04-10 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8SF9 Crystal structure of the engineered SsoPox variant IG7 - Alternative state 2023-04-10 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8SFA Crystal structure of the engineered SsoPox variant IIIC1 2023-04-10 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8SFB Crystal structure of the engineered SsoPox variant IVA4 2023-04-10 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8SFC Crystal structure of the engineered SsoPox variant IVA4 in alternate state 2023-04-10 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8SFD Crystal structure of the engineered SsoPox variant IVB10 2023-04-10 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8SFK Crystal structure of the engineered SsoPox variant IVE2 2023-04-11 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8SFM Crystal structure of the engineered SsoPox variant IVB10 in alternate state 2023-04-11 2024-04-17 Jacquet, P.,Billot, R.,Shimon, A.,Hoekstra, N.,Bergonzi, C.,Jenks, A.,Chabriere, E.,Daude, D.,Elias, M.H. Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published 0 0 0 0 8TQG 38577994 Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 2023-08-07 2024-04-24 Krieger, I.V.,Yalamanchili, S.,Dickson, P.,Engelhart, C.A.,Zimmerman, M.D.,Wood, J.,Clary, E.,Nguyen, J.,Thornton, N.,Centrella, P.A.,Chan, B.,Cuozzo, J.W.,Gengenbacher, M.,Guie, M.A.,Guilinger, J.P.,Bienstock, C.,Hartl, H.,Hupp, C.D.,Jetson, R.,Satoh, T.,Yeoman, J.T.S.,Zhang, Y.,Dartois, V.,Schnappinger, D.,Keefe, A.D.,Sacchettini, J.C. Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis. 2024 0 0 0 8TQV 38577994 Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 2023-08-08 2024-04-24 Krieger, I.V.,Yalamanchili, S.,Dickson, P.,Engelhart, C.A.,Zimmerman, M.D.,Wood, J.,Clary, E.,Nguyen, J.,Thornton, N.,Centrella, P.A.,Chan, B.,Cuozzo, J.W.,Gengenbacher, M.,Guie, M.A.,Guilinger, J.P.,Bienstock, C.,Hartl, H.,Hupp, C.D.,Jetson, R.,Satoh, T.,Yeoman, J.T.S.,Zhang, Y.,Dartois, V.,Schnappinger, D.,Keefe, A.D.,Sacchettini, J.C. Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis. 2024 0 0 0 8TRY 38577994 Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 2023-08-10 2024-04-24 Krieger, I.V.,Yalamanchili, S.,Dickson, P.,Engelhart, C.A.,Zimmerman, M.D.,Wood, J.,Clary, E.,Nguyen, J.,Thornton, N.,Centrella, P.A.,Chan, B.,Cuozzo, J.W.,Gengenbacher, M.,Guie, M.A.,Guilinger, J.P.,Bienstock, C.,Hartl, H.,Hupp, C.D.,Jetson, R.,Satoh, T.,Yeoman, J.T.S.,Zhang, Y.,Dartois, V.,Schnappinger, D.,Keefe, A.D.,Sacchettini, J.C. Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis. 2024 0 0 0