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HLA-B*15:01 complexed with a synthetic peptide To Be Published 0 0 0 0 6UZQ HLA-B*15:01 complexed with a synthetic peptide 2019-11-15 2020-11-18 Schutte, R.J.,Li, D.,Ostrov, D.A. HLA-B*15:01 complexed with a synthetic peptide To Be Published 0 0 0 0 6VB0 HLA-B*15:02 complexed with a synthetic peptide 2019-12-18 2020-11-25 Schutte, R.J.,Li, D.,Ostrov, D.A. HLA-B*15:02 complexed with a synthetic peptide To Be Published 0 0 0 0 6VB4 HLA-B*15:02 complexed with a synthetic peptide 2019-12-18 2020-11-25 Schutte, R.J.,Li, D.,Andring, J.,McKenna, R.,Ostrov, D.A. HLA-B*15:02 complexed with a synthetic peptide To Be Published 0 0 0 0 6VB5 HLA-B*15:02 complexed with a synthetic peptide 2019-12-18 2020-11-25 Schutte, R.J.,Li, D.,Ostrov, D.A. HLA-B*15:02 complexed with a synthetic peptide To Be Published 0 0 0 0 6VB6 HLA-B*15:02 complexed with a synthetic peptide 2019-12-18 2020-11-25 Schutte, R.J.,Li, D.,Ostrov, D.A. 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HLA-B*15:02 complexed with a synthetic peptide To Be Published 0 0 0 0 7KQP 33853786 Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) 2020-11-17 2020-12-09 Schuller, M.,Correy, G.J.,Gahbauer, S.,Fearon, D.,Wu, T.,Diaz, R.E.,Young, I.D.,Carvalho Martins, L.,Smith, D.H.,Schulze-Gahmen, U.,Owens, T.W.,Deshpande, I.,Merz, G.E.,Thwin, A.C.,Biel, J.T.,Peters, J.K.,Moritz, M.,Herrera, N.,Kratochvil, H.T.,Aimon, A.,Bennett, J.M.,Brandao Neto, J.,Cohen, A.E.,Dias, A.,Douangamath, A.,Dunnett, L.,Fedorov, O.,Ferla, M.P.,Fuchs, M.R.,Gorrie-Stone, T.J.,Holton, J.M.,Johnson, M.G.,Krojer, T.,Meigs, G.,Powell, A.J.,Rack, J.G.M.,Rangel, V.L.,Russi, S.,Skyner, R.E.,Smith, C.A.,Soares, A.S.,Wierman, J.L.,Zhu, K.,O'Brien, P.,Jura, N.,Ashworth, A.,Irwin, J.J.,Thompson, M.C.,Gestwicki, J.E.,von Delft, F.,Shoichet, B.K.,Fraser, J.S.,Ahel, I. 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Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1. Open Biology 2022 12 220179 220179 7MAV SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFCit-yne 2021-03-31 2022-10-12 Lockbaum, G.J.,Schiffer, C.A. SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFCit-yne To Be Published 0 0 0 0 7MAW SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM129 2021-03-31 2022-10-12 Lockbaum, G.J.,Schiffer, C.A. SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM129 To Be Published 0 0 0 0 7MAX SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM137 2021-03-31 2022-10-12 Lockbaum, G.J.,Schiffer, C.A. 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Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide) 2022-04-08 2022-12-14 Parker, E.N.,Cain, B.N.,Hajian, B.,Ulrich, R.J.,Geddes, E.J.,Barkho, S.,Lee, H.Y.,Williams, J.D.,Raynor, M.,Caridha, D.,Zaino, A.,Rohde, J.M.,Zak, M.,Shekhar, M.,Munoz, K.A.,Rzasa, K.M.,Temple, E.R.,Hunt, D.,Jin, X.,Vuong, C.,Pannone, K.,Kelly, A.M.,Mulligan, M.P.,Lee, K.K.,Lau, G.W.,Hung, D.T.,Hergenrother, P.J. An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci. 2022 8 1362 1362 7UYK 36534810 Structure of RNF31 in complex with FP06655, a Helicon Polypeptide 2022-05-06 2022-12-28 Li, K.,Tokareva, O.S.,Thomson, T.M.,Wahl, S.C.T.,Travaline, T.L.,Ramirez, J.D.,Choudary, S.K.,Agarwal, S.,Walkup 4th, W.G.,Olsen, T.J.,Brennan, M.J.,Verdine, G.L.,McGee, J.H. 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Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide 2022-04-06 2023-02-15 Parker, E.N.,Cain, B.N.,Hajian, B.,Ulrich, R.J.,Geddes, E.J.,Barkho, S.,Lee, H.Y.,Williams, J.D.,Raynor, M.,Caridha, D.,Zaino, A.,Rohde, J.M.,Zak, M.,Shekhar, M.,Munoz, K.A.,Rzasa, K.M.,Temple, E.R.,Hunt, D.,Jin, X.,Vuong, C.,Pannone, K.,Kelly, A.M.,Mulligan, M.P.,Lee, K.K.,Lau, G.W.,Hung, D.T.,Hergenrother, P.J. An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci. 2022 8 1362 1362 7UMX 36188352 Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide 2022-04-08 2023-02-15 Parker, E.N.,Cain, B.N.,Hajian, B.,Ulrich, R.J.,Geddes, E.J.,Barkho, S.,Lee, H.Y.,Williams, J.D.,Raynor, M.,Caridha, D.,Zaino, A.,Rohde, J.M.,Zak, M.,Shekhar, M.,Munoz, K.A.,Rzasa, K.M.,Temple, E.R.,Hunt, D.,Jin, X.,Vuong, C.,Pannone, K.,Kelly, A.M.,Mulligan, M.P.,Lee, K.K.,Lau, G.W.,Hung, D.T.,Hergenrother, P.J. 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Acs Bio Med Chem Au 2023 3 335 348 8FB4 37599788 Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3 2022-11-29 2023-02-22 Ogbonna, E.N.,Paul, A.,Farahat, A.A.,Terrell, J.R.,Mineva, E.,Ogbonna, V.,Boykin, D.W.,Wilson, W.D. X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au 2023 3 335 348 8F2E 36801935 Crystal Structure of the CoV-Y domain of SARS-CoV-2 Nonstructural Protein 3 2022-11-07 2023-03-08 Li, Y.,Pustovalova, Y.,Shi, W.,Gorbatyuk, O.,Sreeramulu, S.,Schwalbe, H.,Hoch, J.C.,Hao, B. Crystal structure of the CoV-Y domain of SARS-CoV-2 nonstructural protein 3. Sci Rep 2023 13 2890 2890 7U5Z 36871704 Crystal Structure of HIV-1 Reverse Transcriptase in Complex with JLJ353 2022-03-03 2023-03-15 Carter, Z.J.,Hollander, K.,Spasov, K.A.,Anderson, K.S.,Jorgensen, W.L. Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett. 2023 84 129216 129216 8E3N 36848571 Crystal structure of pregnane X receptor ligand binding domain complexed with rifamycin S 2022-08-17 2023-03-15 Lin, W.,Huber, A.D.,Poudel, S.,Li, Y.,Seetharaman, J.,Miller, D.J.,Chen, T. Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8F8V 37202422 Crystal structure of Nb.X0 2022-11-22 2023-03-29 Gupta, A.,Kao, K.S.,Yamin, R.,Oren, D.A.,Goldgur, Y.,Du, J.,Lollar, P.,Sundberg, E.J.,Ravetch, J.V. Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody. Nat Commun 2023 14 2853 2853 7UJV 38418569 Structure of PHD2 in complex with HIF2a-CODD 2022-03-31 2023-04-05 Ferens, F.G.,Taber, C.C.,Stuart, S.,Hubert, M.,Tarade, D.,Lee, J.E.,Ohh, M. Deficiency in PHD2-mediated hydroxylation of HIF2 alpha underlies Pacak-Zhuang syndrome. Commun Biol 2024 7 240 240 7UTT Structure of Non-hydrolyzable ATP (ApCpp) binds to Cyclic GMP AMP synthase (cGAS) through Mn coordination 2022-04-27 2023-05-03 Wu, S.,Gabelli, S.B.,Sohn, J.S. Structure of Non-hydrolyzable ATP (ApCpp) binds to Cyclic GMP AMP synthase (cGAS) through Mn coordination To Be Published 0 0 0 0 7UUX ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination 2022-04-29 2023-05-03 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun 2024 15 4012 0 8E0P 37155902 Crystal structure of mouse APCDD1 in fusion with engineered MBP 2022-08-09 2023-05-03 Hsieh, F.L.,Chang, T.H.,Gabelli, S.B.,Nathans, J. Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8FN3 Crystal structure of human DNA polymerase eta incorporating dITP across dC 2022-12-26 2023-05-03 Jung, H. Crystal structure of human DNA polymerase eta incorporating dITP across dC To Be Published 0 0 0 0 8FO6 37068230 Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase. 2022-12-29 2023-05-03 Piserchio, A.,Long, K.J.,Browning, L.S.,Bohanon, A.L.,Isiorho, E.A.,Dalby, K.N.,Ghose, R. ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8FOG Crystal structure of human DNA polymerase eta incorporating dITP across dT 2022-12-30 2023-05-03 Jung, H. Crystal structure of human DNA polymerase eta incorporating dITP across dT To Be Published 0 0 0 0 7UXW Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination 2022-05-06 2023-05-10 Wu, S.,Gabelli, S.B.,Sohn, J. 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Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals. Plos Pathog. 2023 19 0 0 8SU5 37449555 F198T epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation 2023-05-11 2023-07-26 Eaton, S.A.,Christianson, D.W. Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products. Biochemistry 2023 62 2301 2313 8G2T 37750722 CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH RELEBACTAM (IMINE HYDROLYSIS INTERMEDIATE) 2023-02-06 2023-08-09 Alsenani, T.A.,Viviani, S.L.,Papp-Wallace, K.M.,Bonomo, R.A.,van den Akker, F. Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water. 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Biochemistry 2023 62 2689 2699 8EE2 Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif 2022-09-06 2023-09-13 Simard, A.R.,Madden, D.R. Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif To Be Published 0 0 0 0 8EHV Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPET(bAla)E] 2022-09-14 2023-09-20 Muellers, S.N.,Allen, K.N.,Whitty, A. Machine-learning analysis of molecular dynamics simulations to elucidate the effect of strain and preorganization on conformational modes of motion in cyclic peptides To Be Published 0 0 0 0 8GKR Crystal structure of human DNA polymerase eta incorporating 5F-dUTP across dA 2023-03-20 2023-09-20 Jung, H. Crystal structure of human DNA polymerase eta incorporating 5F-dUTP across dA To Be Published 0 0 0 0 8GML Crystal structure of human DNA polymerase eta incorporating 5F-dUTP across dG 2023-03-26 2023-09-20 Jung, H. Crystal structure of human DNA polymerase eta incorporating 5F-dUTP across dA To Be Published 0 0 0 0 8SKI Crystal structure of human DNA polymerase eta incorporating 5F-dUTP across HX 2023-04-19 2023-09-20 Jung, H. Crystal structure of human DNA polymerase eta incorporating 5F-dUTP across dA To Be Published 0 0 0 0 8TQ0 37703993 Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid 2023-08-06 2023-09-20 Watson, P.R.,Stollmaier, J.G.,Christianson, D.W. Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism. J.Biol.Chem. 2023 299 105228 105228 8EJR Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDPETGE-NH2 2022-09-18 2023-09-27 Muellers, S.N.,Allen, K.N.,Whitty, A. The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction To Be Published 0 0 0 0 8E1C Crystal Structure of Nanobody VHH222 Specific for PA14 Cif 2022-08-10 2023-10-04 Simard, A.R.,Madden, D.R. Crystal Structure of Nanobody VHH222 Specific for PA14 Cif To Be Published 0 0 0 0 8E2N Crystal Structure of Nanobody VHH113 Specific for PA14 Cif 2022-08-15 2023-10-04 Simard, A.R.,Madden, D.R. Crystal Structure of Nanobody VHH113 Specific for PA14 Cif To Be Published 0 0 0 0 8ELN Crystal Structure of Nanobody VHH222 Bound to Its Antigen PA14 Cif 2022-09-26 2023-10-18 Simard, A.R.,Madden, D.R. Crystal Structure of Nanobody VHH222 Bound to Its Antigen PA14 Cif To Be Published 0 0 0 0 8SWU 37812583 Structure of Clostridium perfringens PNP bound to transition state analog IMMUCILLIN H and sulfate 2023-05-19 2023-10-18 Minnow, Y.V.T.,Schramm, V.L.,Almo, S.C.,Ghosh, A. Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry 2023 62 3116 3125 8D3E 38671223 Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-fluoroquinolin-4-amine 2022-06-01 2023-11-08 Brosey, C.A.,Link, T.M.,Shen, R.,Moiani, D.,Burnett, K.,Hura, G.L.,Jones, D.E.,Tainer, J.A. Chemical screening by time-resolved X-ray scattering to discover allosteric probes. Nat.Chem.Biol. 2024 0 0 0 8D3G 38671223 Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine 2022-06-01 2023-11-08 Brosey, C.A.,Link, T.M.,Shen, R.,Moiani, D.,Burnett, K.,Hura, G.L.,Jones, D.E.,Tainer, J.A. Chemical screening by time-resolved X-ray scattering to discover allosteric probes. Nat.Chem.Biol. 2024 0 0 0 8D3H 38671223 Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 7-chloroquinolin-4-amine 2022-06-01 2023-11-08 Brosey, C.A.,Link, T.M.,Shen, R.,Moiani, D.,Burnett, K.,Hura, G.L.,Jones, D.E.,Tainer, J.A. Chemical screening by time-resolved X-ray scattering to discover allosteric probes. Nat.Chem.Biol. 2024 0 0 0 8D3I 38671223 Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with quinolin-4-amine 2022-06-01 2023-11-08 Brosey, C.A.,Link, T.M.,Shen, R.,Moiani, D.,Burnett, K.,Hura, G.L.,Jones, D.E.,Tainer, J.A. Chemical screening by time-resolved X-ray scattering to discover allosteric probes. Nat.Chem.Biol. 2024 0 0 0 8FT4 Multicrystal structure of Na+, leucine-bound LeuT determined at 5 keV 2023-01-11 2023-11-22 Karasawa, A.,Liu, H.,Quick, M.,Hendrickson, W.A.,Liu, Q. Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter To be Published 0 0 0 0 8FT5 Crystal structure of LeuT soaked with Crown-5 2023-01-11 2023-11-22 Karasawa, A.,Liu, H.,Quick, M.,Hendrickson, W.A.,Liu, Q. Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter To be Published 0 0 0 0 8V1P CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 2023-11-21 2023-12-06 Dong, C.,Dong, A.,Calabrese, M.,Wang, F.,Owen, D.,Arrowsmith, C.H.,Edwards, A.M.,Min, J. CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 To be published 0 0 0 0 8F2T Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD) 2022-11-08 2023-12-13 Chen, J.C.-H. Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD) To Be Published 0 0 0 0 8F2V Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD) 2022-11-08 2023-12-13 Chen, J.C.-H. Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD) To Be Published 0 0 0 0 8G20 37902787 Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327 2023-02-03 2023-12-13 Sinatra, L.,Vogelmann, A.,Friedrich, F.,Tararina, M.A.,Neuwirt, E.,Colcerasa, A.,Konig, P.,Toy, L.,Yesiloglu, T.Z.,Hilscher, S.,Gaitzsch, L.,Papenkordt, N.,Zhai, S.,Zhang, L.,Romier, C.,Einsle, O.,Sippl, W.,Schutkowski, M.,Gross, O.,Bendas, G.,Christianson, D.W.,Hansen, F.K.,Jung, M.,Schiedel, M. Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J.Med.Chem. 2023 66 14787 14814 8TBO 37987645 Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) 2023-06-29 2023-12-20 Simmons, C.R.,Buchberger, A.,Henry, S.J.W.,Novacek, A.,Fahmi, N.E.,MacCulloch, T.,Stephanopoulos, N.,Yan, H. Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc. 2023 145 26075 26085 8TC6 37987645 Sequence specific (AATT and TGTCA) orientation of netropsin and ImPyPy molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) 2023-06-29 2023-12-20 Simmons, C.R.,Buchberger, A.,Henry, S.J.W.,Novacek, A.,Fahmi, N.E.,MacCulloch, T.,Stephanopoulos, N.,Yan, H. Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc. 2023 145 26075 26085 8ECC Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppI(2,5)pA 2022-09-01 2024-01-17 Wu, S.,Sohn, J. Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppI(2,5)pA To Be Published 0 0 0 0 8FV3 38378740 EGFR(T790M/V948R) in complex with compound 1 (LN4503) 2023-01-18 2024-01-17 Wittlinger, F.,Ogboo, B.C.,Shevchenko, E.,Damghani, T.,Pham, C.D.,Schaeffner, I.K.,Oligny, B.T.,Chitnis, S.P.,Beyett, T.S.,Rasch, A.,Buckley, B.,Urul, D.A.,Shaurova, T.,May, E.W.,Schaefer, E.M.,Eck, M.J.,Hershberger, P.A.,Poso, A.,Laufer, S.A.,Heppner, D.E. Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors. Commun Chem 2024 7 38 38 8TPG 38192109 Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease 2023-08-04 2024-01-24 Ashraf-Uz-Zaman, M.,Chua, T.K.,Li, X.,Yao, Y.,Moku, B.K.,Mishra, C.B.,Avadhanula, V.,Piedra, P.A.,Song, Y. 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Biorxiv 2025 0 0 0 8FVV 40501712 Rubrerythrin from B. pseudomallei: iron-bound 2023-01-19 2024-01-31 Budziszewski, G.R.,Lynch, M.L.,Snell, M.E.,Monteiro, D.C.,Bowman, S.E. Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site. Biorxiv 2025 0 0 0 8FXD 40501712 Rubrerythrin from B. pseudomallei: manganese-bound 2023-01-24 2024-02-07 Budziszewski, G.R.,Lynch, M.L.,Snell, M.E.,Monteiro, D.C.,Bowman, S.E. Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site. Biorxiv 2025 0 0 0 8TBN 38589574 Tricomplex of RMC-7977, KRAS G12S, and CypA 2023-06-28 2024-02-07 Holderfield, M.,Lee, B.J.,Jiang, J.,Tomlinson, A.,Seamon, K.J.,Mira, A.,Patrucco, E.,Goodhart, G.,Dilly, J.,Gindin, Y.,Dinglasan, N.,Wang, Y.,Lai, L.P.,Cai, S.,Jiang, L.,Nasholm, N.,Shifrin, N.,Blaj, C.,Shah, H.,Evans, J.W.,Montazer, N.,Lai, O.,Shi, J.,Ahler, E.,Quintana, E.,Chang, S.,Salvador, A.,Marquez, A.,Cregg, J.,Liu, Y.,Milin, A.,Chen, A.,Ziv, T.B.,Parsons, D.,Knox, J.E.,Klomp, J.E.,Roth, J.,Rees, M.,Ronan, M.,Cuevas-Navarro, A.,Hu, F.,Lito, P.,Santamaria, D.,Aguirre, A.J.,Waters, A.M.,Der, C.J.,Ambrogio, C.,Wang, Z.,Gill, A.L.,Koltun, E.S.,Smith, J.A.M.,Wildes, D.,Singh, M. Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature 2024 629 919 926 8VPO 38295270 X-Ray Crystal Structure of TigE from Paramaledivibacter caminithermalis 2024-01-16 2024-02-07 Lien, Y.,Lachowicz, J.C.,Mendauletova, A.,Zizola, C.,Ngendahimana, T.,Kostenko, A.,Eaton, S.S.,Latham, J.A.,Grove, T.L. Structural, Biochemical, and Bioinformatic Basis for Identifying Radical SAM Cyclopropyl Synthases. Acs Chem.Biol. 2024 19 370 379 8U1F 38300868 FGFR2 Kinase Domain Bound to Irreversible Inhibitor Cmpd 10 2023-08-31 2024-02-14 Schonherr, H.,Ayaz, P.,Taylor, A.M.,Casaletto, J.B.,Toure, B.B.,Moustakas, D.T.,Hudson, B.M.,Valverde, R.,Zhao, S.,O'Hearn, P.J.,Foster, L.,Sharon, D.A.,Garfinkle, S.,Giordanetto, F.,Lescarbeau, A.,Kurukulasuriya, R.,Gerami-Moayed, N.,Maglic, D.,Bruderek, K.,Naik, G.,Gunaydin, H.,Mader, M.M.,Boezio, A.A.,McLean, T.H.,Chen, R.,Wang, Y.,Shaw, D.E.,Watters, J.,Bergstrom, D.A. Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA 2024 121 0 0 8GBF Crystal structure of human DNA polymerase eta incorporating syn-ITP across dT 2023-02-25 2024-02-28 Jung, H. Crystal structure of human DNA polymerase eta incorporating syn-ITP across dT To Be Published 0 0 0 0 8EVD Crystal Structure of Nanobody VHH101 Bound to Its Antigen PA14 Cif 2022-10-20 2024-03-13 Simard, A.R.,Madden, D.R. Crystal Structure of Nanobody VHH101 Bound to Its Antigen PA14 Cif To Be Published 0 0 0 0 8F6U Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif 2022-11-17 2024-03-13 Simard, A.R.,Madden, D.R. Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif To Be Published 0 0 0 0 8F6V Crystal Structure of Nanobody VHH108 Bound to Its Antigen PA14 Cif 2022-11-17 2024-03-13 Simard, A.R.,Madden, D.R. 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Nat Commun 2024 15 3167 3167 8VCN 38442365 GluER mutant - W66F F269Y Q293T F68Y T36E P263L 2023-12-14 2024-03-13 Liu, Y.,Bender, S.G.,Sorigue, D.,Diaz, D.J.,Ellington, A.D.,Mann, G.,Allmendinger, S.,Hyster, T.K. Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins. J.Am.Chem.Soc. 2024 146 7191 7197 8GKF 38489355 Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed. 2023-03-18 2024-03-20 Singh, A.,Ottavi, S.,Krieger, I.,Planck, K.,Perkowski, A.,Kaneko, T.,Davis, A.M.,Suh, C.,Zhang, D.,Goullieux, L.,Alex, A.,Roubert, C.,Gardner, M.,Preston, M.,Smith, D.M.,Ling, Y.,Roberts, J.,Cautain, B.,Upton, A.,Cooper, C.B.,Serbina, N.,Tanvir, Z.,Mosior, J.,Ouerfelli, O.,Yang, G.,Gold, B.S.,Rhee, K.Y.,Sacchettini, J.C.,Fotouhi, N.,Aube, J.,Nathan, C. Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase. Sci Adv 2024 10 0 0 8GLO 38814789 Haemophilus parainfluenzae Holo HphA 2023-03-22 2024-03-27 Shin, H.E.,Pan, C.,Curran, D.M.,Bateman, T.J.,Chong, D.H.Y.,Ng, D.,Shah, M.,Moraes, T.F. Prevalence of Slam-dependent hemophilins in Gram-negative bacteria. J.Bacteriol. 2024 206 0 0 8UUF 38547259 SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 2023-11-01 2024-04-03 Tan, B.,Zhang, X.,Ansari, A.,Jadhav, P.,Tan, H.,Li, K.,Chopra, A.,Ford, A.,Chi, X.,Ruiz, F.X.,Arnold, E.,Deng, X.,Wang, J. Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science 2024 383 1434 1440 8UUH 38547259 SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 2023-11-01 2024-04-03 Tan, B.,Zhang, X.,Ansari, A.,Jadhav, P.,Tan, H.,Li, K.,Chopra, A.,Ford, A.,Chi, X.,Ruiz, F.X.,Arnold, E.,Deng, X.,Wang, J. Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science 2024 383 1434 1440 8TXA Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum 2023-08-23 2024-04-10 Balsamo, A.,Bruno, C.,Edele, C.,Fabian, T.,Jannotta, R.,Lee, R.,Schryver, D.,Warsaw, J.,Warsaw, L.,Stojanoff, V.,Battaile, K.,Perez, A.,Bolen, R. Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum To Be Published 0 0 0 0 8GII 38902262 TEM-1 Beta Lactamase Variant 80.a 2023-03-14 2024-04-17 Fram, B.,Su, Y.,Truebridge, I.,Riesselman, A.J.,Ingraham, J.B.,Passera, A.,Napier, E.,Thadani, N.N.,Lim, S.,Roberts, K.,Kaur, G.,Stiffler, M.A.,Marks, D.S.,Bahl, C.D.,Khan, A.R.,Sander, C.,Gauthier, N.P. Simultaneous enhancement of multiple functional properties using evolution-informed protein design. 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Nat Commun 2024 15 4012 4012 8GIS 38740774 Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.5mM Mn2+ 2023-03-14 2024-04-17 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8GIT 38740774 Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 1mM Mn2+ 2023-03-14 2024-04-17 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8SHU 38740774 Structure of mouse cGAS 2023-04-14 2024-04-24 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8SI0 38740774 Structure of binary complex of human cGAS and bound cGAMP 2023-04-14 2024-04-24 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8SKT 38740774 Structure of ternary complex of mouse cGAS with dsDNA and bound ATP with 5 mM Mn2+ 2023-04-20 2024-04-24 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8V5Y 38662449 Crystal structure of Tyr p 36.0101 in complex with a poly(L-proline) peptide 2023-12-01 2024-05-08 O'Malley, A.,Sankaran, S.,Carriuolo, A.,Khatri, K.,Kowal, K.,Chruszcz, M. Structural homology of mite profilins to plant profilins is not indicative of allergic cross-reactivity. Biol.Chem. 2024 405 367 381 8V9O 38767964 Imaging scaffold engineered to bind the therapeutic protein target BARD1 2023-12-08 2024-05-15 Agdanowski, M.P.,Castells-Graells, R.,Sawaya, M.R.,Cascio, D.,Yeates, T.O.,Arbing, M.A. X-ray crystal structure of a designed rigidified imaging scaffold in the ligand-free conformation. Acta Crystallogr.,Sect.F 2024 80 107 115 8G23 38740774 Structure of Ternary Complex of cGAS with dsDNA and Bound pppIpA 2023-02-03 2024-05-22 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8GIM 38740774 Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ 2023-03-14 2024-05-22 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8GIN 38740774 Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.015mM Mn2+ 2023-03-14 2024-05-22 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8GIP 38740774 Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.040mM Mn2+ 2023-03-14 2024-05-22 Wu, S.,Gabelli, S.B.,Sohn, J. The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun 2024 15 4012 4012 8U7B 38844755 Crystal structure of Apo form of Short Prokaryotic Argonaute TIR-APAZ (SPARTA) heterodimer 2023-09-15 2024-06-12 Kottur, J.,Malik, R.,Aggarwal, A.K. Nucleic acid mediated activation of a short prokaryotic Argonaute immune system. Nat Commun 2024 15 4852 4852 8G2P Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP 2023-02-06 2024-06-19 Wu, S.,Sohn, J. Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP To Be Published 0 0 0 0 8G2Q Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP 2023-02-06 2024-06-19 Wu, S.,Sohn, J. 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Acs Catalysis 2024 14 6577 6588 8TMZ Crystal structure of MERS-CoV spike stem helix peptide in complex with neutralizing antibody CHM-27 2023-07-31 2024-07-31 Feng, Z.,Wilson, I.A. Broad Neutralizing Antibodies Against Coronaviruses. Not published 0 0 0 0 8VDK Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus 2023-12-15 2024-08-07 Kim, Y.,Tan, A.,Endres, M.,Joachimiak, A.,Center for Structural Biology of Infectious Diseases (CSBID) Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus To Be Published 0 0 0 0 8VXS 39096501 UIC-15-BPE extension of UIC-1 2024-02-06 2024-08-07 Ganatra, P.,Wang, D.F.,Ganatra, V.,Dang, V.T.,Nguyen, A.I. Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons. J.Am.Chem.Soc. 2024 146 22236 22246 9CWN NRIP1_133 / RIP140 SxxLxxLL motif coregulator peptide with agonist GW1929 and PPARg LBD 2024-07-29 2024-08-14 Nemetchek, M.D.,Voss, A.H.,Hughes, T.S. NRIP1_133 / RIP140 SxxLxxLL motif coregulator peptide with agonist GW1929 and PPARg LBD To Be Published 0 0 0 0 8GAB 38746206 Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder 2023-02-22 2024-08-21 Yang, W.,Hicks, D.R.,Ghosh, A.,Schwartze, T.A.,Conventry, B.,Goreshnik, I.,Allen, A.,Halabiya, S.F.,Kim, C.J.,Hinck, C.S.,Lee, D.S.,Bera, A.K.,Li, Z.,Wang, Y.,Schlichthaerle, T.,Cao, L.,Huang, B.,Garrett, S.,Gerben, S.R.,Rettie, S.,Heine, P.,Murray, A.,Edman, N.,Carter, L.,Stewart, L.,Almo, S.,Hinck, A.P.,Baker, D. Design of High Affinity Binders to Convex Protein Target Sites. Biorxiv 2024 0 0 0 9B17 39106326 Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PAN1 inhibitor 2024-03-13 2024-08-21 Geeraerts, Z.,Ishigami, I.,Lewis-Ballester, A.,Pham, K.N.,Kozlova, A.,Mathieu, C.,Frederick, R.,Yeh, S.R. Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase. J.Med.Chem. 2024 67 14543 14552 9B1Q 39106326 Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PYN1 inhibitor 2024-03-13 2024-08-21 Geeraerts, Z.,Ishigami, I.,Lewis-Ballester, A.,Pham, K.N.,Kozlova, A.,Mathieu, C.,Frederick, R.,Yeh, S.R. Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase. J.Med.Chem. 2024 67 14543 14552 8TO3 39626019 EGFR(T790M/V948R) in complex with LN5461 2023-08-02 2024-08-28 Wittlinger, F.,Chitnis, S.P.,Pham, C.D.,Damghani, T.,Patel, K.B.,Mollers, M.,Schaeffner, I.K.,Abidakun, O.A.,Deng, M.Q.,Ogboo, B.C.,Rasch, A.,Beyett, T.S.,Buckley, B.,Feru, F.,Shaurova, T.,Knappe, C.,Eck, M.J.,Hershberger, P.A.,Scott, D.A.,Brandt, A.L.,Laufer, S.A.,Heppner, D.E. Tilting the Scales toward EGFR Mutant Selectivity: Expanding the Scope of Bivalent ""Type V"" Kinase Inhibitors. J.Med.Chem. 2024 67 21438 21469 8TO4 39626019 EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 2023-08-02 2024-08-28 Wittlinger, F.,Chitnis, S.P.,Pham, C.D.,Damghani, T.,Patel, K.B.,Mollers, M.,Schaeffner, I.K.,Abidakun, O.A.,Deng, M.Q.,Ogboo, B.C.,Rasch, A.,Beyett, T.S.,Buckley, B.,Feru, F.,Shaurova, T.,Knappe, C.,Eck, M.J.,Hershberger, P.A.,Scott, D.A.,Brandt, A.L.,Laufer, S.A.,Heppner, D.E. Tilting the Scales toward EGFR Mutant Selectivity: Expanding the Scope of Bivalent ""Type V"" Kinase Inhibitors. J.Med.Chem. 2024 67 21438 21469 8TVK 40060414 KRAS 1-169 G12C Mutant at 100k 2023-08-18 2024-08-28 Deck, S.L.,Xu, M.,Milano, S.K.,Cerione, R.A. Revealing Functional Hotspots: Temperature-Dependent Crystallography of K-RAS Highlights Allosteric and Druggable Sites. Biorxiv 2025 0 0 0 8TXJ KRAS 1-169 G12C Mutant at 277k 2023-08-23 2024-08-28 Deck, S.L.,Xu, M.,Aplin, C.,Milano, S.K. Temperature Gradient Structures of Oncogenic KRAS G12C Mutants To Be Published 0 0 0 0 8TXK KRAS 1-169 G12C Mutant at 240k 2023-08-23 2024-08-28 Deck, S.L.,Xu, M.,Aplin, C.,Milano, S.K. Temperature Gradient Structures of Oncogenic KRAS G12C Mutants To Be Published 0 0 0 0 8TY2 KRAS 1-169 G12C Mutant at 293k 2023-08-24 2024-08-28 Deck, S.L.,Xu, M.,Aplin, C.,Milano, S.K. Temperature Gradient Structures of Oncogenic KRAS G12C Mutants To Be Published 0 0 0 0 8TY8 KRAS 1-169 G12C Mutant at 310k 2023-08-24 2024-08-28 Deck, S.L.,Xu, M.,Aplin, C.,Milano, S.K. Temperature Gradient Structures of Oncogenic KRAS G12C Mutants To Be Published 0 0 0 0 8TY9 KRAS 1-169 G12C Mutant at 313k 2023-08-24 2024-08-28 Deck, S.L.,Xu, M.,Aplin, C.,Milano, S.K. Temperature Gradient Structures of Oncogenic KRAS G12C Mutants To Be Published 0 0 0 0 8URK 39244607 Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrates 2023-10-26 2024-09-11 Quintana-Feliciano, R.,Kottur, J.,Ni, M.,Ghosh, R.,Salas-Estrada, L.,Ahlsen, G.,Rechkoblit, O.,Shapiro, L.,Filizola, M.,Fang, G.,Aggarwal, A.K. Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation. Nat Commun 2024 15 7839 7839 9CBF 39411528 Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with m-Aminomethyl Phenylthioketone 2024-06-19 2024-09-11 Goulart Stollmaier, J.,Watson, P.R.,Christianson, D.W. Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10. Acs Med.Chem.Lett. 2024 15 1715 1723 9CBG 39411528 Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with m-Aminoethyl Phenylthioketone 2024-06-19 2024-09-11 Goulart Stollmaier, J.,Watson, P.R.,Christianson, D.W. Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10. Acs Med.Chem.Lett. 2024 15 1715 1723 9CBH 39411528 Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminomethyl Phenylthioketone 2024-06-19 2024-09-11 Goulart Stollmaier, J.,Watson, P.R.,Christianson, D.W. Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10. Acs Med.Chem.Lett. 2024 15 1715 1723 9CBI 39411528 Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminoethyl Phenylthioketone 2024-06-19 2024-09-11 Goulart Stollmaier, J.,Watson, P.R.,Christianson, D.W. Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10. Acs Med.Chem.Lett. 2024 15 1715 1723 9CBJ 39411528 Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminopropyl Phenylthioketone 2024-06-19 2024-09-11 Goulart Stollmaier, J.,Watson, P.R.,Christianson, D.W. Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10. Acs Med.Chem.Lett. 2024 15 1715 1723 9CBK 39411528 Crystal Structure of Danio rerio Histone Deacetylase 6 in Complex with p-Aminomethyl Phenylthioketone 2024-06-19 2024-09-11 Goulart Stollmaier, J.,Watson, P.R.,Christianson, D.W. Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10. 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Rsc Adv 2024 14 29675 29682 9AX9 39339895 Crystal Structure of Enterovirus 68 3C Protease C147A Mutant with 3B3C peptide at 2.00 Angstroms 2024-03-06 2024-09-18 Azzolino, V.N.,Shaqra, A.M.,Ali, A.,Kurt Yilmaz, N.,Schiffer, C.A. Elucidating the Substrate Envelope of Enterovirus 68-3C Protease: Structural Basis of Specificity and Potential Resistance. Viruses 2024 16 0 0 9AZO 39222681 Crystal structure of CHMS Dehydrogenase PmdC from Comamonas testosteroni bound to cofactor NADP 2024-03-11 2024-09-18 Rodrigues, A.V.,Moriarty, N.W.,Kakumanu, R.,DeGiovanni, A.,Pereira, J.H.,Gin, J.W.,Chen, Y.,Baidoo, E.E.K.,Petzold, C.J.,Adams, P.D. Characterization of lignin-degrading enzyme PmdC, which catalyzes a key step in the synthesis of polymer precursor 2-pyrone-4,6-dicarboxylic acid. J.Biol.Chem. 2024 300 107736 107736 9DDY The Crystal Structure of Geranyltranstransferase from Streptococcus pneumoniae TIGR4 2024-08-28 2024-09-18 Kim, Y.,Tan, A.,Endres, M.,Tan, K.,Joachimik, A. The Crystal Structure of Geranyltranstransferase from Streptococcus pneumoniae TIGR4 To Be Published 0 0 0 0 8V4T 39920086 The Native DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3 2023-11-29 2024-10-02 Paul, A.,Terrell, J.R.,Farahat, A.A.,Ogbonna, E.N.,Kumar, A.,Boykin, D.W.,Neidle, S.,Wilson, W.D. Alternative Approach to Sequence-Specific Recognition of DNA: Cooperative Stacking of Dication Dimers─Sensitivity to Compound Curvature, Aromatic Structure, and DNA Sequence. Acs Chem.Biol. 2025 20 489 506 8VIU 39920086 The DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3' bound by a DB1992 stacked dimer 2024-01-05 2024-10-02 Paul, A.,Terrell, J.R.,Farahat, A.A.,Ogbonna, E.N.,Kumar, A.,Boykin, D.W.,Neidle, S.,Wilson, W.D. Alternative Approach to Sequence-Specific Recognition of DNA: Cooperative Stacking of Dication Dimers─Sensitivity to Compound Curvature, Aromatic Structure, and DNA Sequence. Acs Chem.Biol. 2025 20 489 506 8UFK Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGCGGAAGTG) 2023-10-04 2024-10-09 Terrell, J.R.,Paul, A.,Ogbonna, E.N.,Farahat, A.A.,Poon, G.M.K.,Wilson, W.D. Structural studies on the PU.1 inhibitory mechanism by diamidine minor groove binders To Be Published 0 0 0 0 8UFZ Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGCGGAAGTG) in Ternary Complex with DB1976 2023-10-05 2024-10-09 Terrell, J.R.,Paul, A.,Ogbonna, E.N.,Farahat, A.A.,Poon, G.M.K.,Wilson, W.D. Structural studies on the PU.1 inhibitory mechanism by diamidine minor groove binders To Be Published 0 0 0 0 9BEQ 39389062 Crystal structure of pregnane X receptor ligand binding domain complexed with AP1867 2024-04-16 2024-10-09 Huber, A.D.,Lin, W.,Poudel, S.,Miller, D.J.,Chen, T. PROTAC-mediated activation, rather than degradation, of a nuclear receptor reveals complex ligand-receptor interaction network. 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Structure of Lichtheimia corymbifera Kinase in complex with GDP and MG To Be Published 0 0 0 0 8UQQ Structure of mCLIFY: a circularly permuted yellow fluorescent protein 2023-10-24 2024-10-30 Shweta, H.,Gupta, K.,Zhou, Y.,Cui, X.,Li, S.,Lu, Z.,Goldman, Y.E.,Dantzig, J. Structure of mCLIFY: a circularly permuted yellow fluorescent protein To Be Published 0 0 0 0 9BA6 39128725 High-resolution crystal structure of Vibrio cholerae NFeoB in the apo form 2024-04-03 2024-10-30 Lee, M.,Magante, K.,Gomez-Garzon, C.,Payne, S.M.,Smith, A.T. Structural determinants of Vibrio cholerae FeoB nucleotide promiscuity. J.Biol.Chem. 2024 300 107663 107663 9BA7 39128725 Crystal structure of Vibrio cholerae N150T NFeoB variant with a single GDP molecule bound 2024-04-03 2024-10-30 Lee, M.,Magante, K.,Gomez-Garzon, C.,Payne, S.M.,Smith, A.T. Structural determinants of Vibrio cholerae FeoB nucleotide promiscuity. J.Biol.Chem. 2024 300 107663 107663 9C68 39471810 The CRISPR associated CARF-adenosine deaminase Cad1-CARF in the cA6 bound form 2024-06-07 2024-10-30 Baca, C.F.,Majumder, P.,Hickling, J.H.,Ye, L.,Teplova, M.,Brady, S.F.,Patel, D.J.,Marraffini, L.A. The CRISPR-associated adenosine deaminase Cad1 converts ATP to ITP to provide antiviral immunity. Cell 2024 187 7183 0 9C6A 39471810 The CRISPR associated adenosine deaminase Cad1-CARF in the apo form 2024-06-07 2024-10-30 Baca, C.F.,Majumder, P.,Hickling, J.H.,Ye, L.,Teplova, M.,Brady, S.F.,Patel, D.J.,Marraffini, L.A. The CRISPR-associated adenosine deaminase Cad1 converts ATP to ITP to provide antiviral immunity. Cell 2024 187 7183 0 9BGH 39476862 Crystal structure of KRAS G12D in a transition state mimetic complex with CYPA and RMC-7977 2024-04-18 2024-11-06 Cuevas-Navarro, A.,Pourfarjam, Y.,Hu, F.,Rodriguez, D.J.,Vides, A.,Sang, B.,Fan, S.,Goldgur, Y.,de Stanchina, E.,Lito, P. Pharmacological restoration of GTP hydrolysis by mutant RAS. Nature 2025 637 224 229 9BHO 39476862 Crystal structure of KRAS G12S in a transition state mimetic complex with CYPA and RMC-7977 2024-04-21 2024-11-06 Cuevas-Navarro, A.,Pourfarjam, Y.,Hu, F.,Rodriguez, D.J.,Vides, A.,Sang, B.,Fan, S.,Goldgur, Y.,de Stanchina, E.,Lito, P. Pharmacological restoration of GTP hydrolysis by mutant RAS. Nature 2025 637 224 229 9BHP 39476862 Crystal structure of KRAS G12C in a transition state mimetic complex with CYPA and RMC-7977 2024-04-21 2024-11-06 Cuevas-Navarro, A.,Pourfarjam, Y.,Hu, F.,Rodriguez, D.J.,Vides, A.,Sang, B.,Fan, S.,Goldgur, Y.,de Stanchina, E.,Lito, P. Pharmacological restoration of GTP hydrolysis by mutant RAS. Nature 2025 637 224 229 9BHQ 39476862 Crystal structure of KRAS G12A in a transition state mimetic complex with CYPA and RMC-7977 2024-04-21 2024-11-06 Cuevas-Navarro, A.,Pourfarjam, Y.,Hu, F.,Rodriguez, D.J.,Vides, A.,Sang, B.,Fan, S.,Goldgur, Y.,de Stanchina, E.,Lito, P. Pharmacological restoration of GTP hydrolysis by mutant RAS. Nature 2025 637 224 229 9BI1 39476862 Crystal structure of GMPPNP bound KRAS G12D in complex with CYPA and RMC-7977 2024-04-22 2024-11-06 Cuevas-Navarro, A.,Pourfarjam, Y.,Hu, F.,Rodriguez, D.J.,Vides, A.,Sang, B.,Fan, S.,Goldgur, Y.,de Stanchina, E.,Lito, P. Pharmacological restoration of GTP hydrolysis by mutant RAS. Nature 2025 637 224 229 9BI2 39476862 Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-7977 2024-04-22 2024-11-06 Cuevas-Navarro, A.,Pourfarjam, Y.,Hu, F.,Rodriguez, D.J.,Vides, A.,Sang, B.,Fan, S.,Goldgur, Y.,de Stanchina, E.,Lito, P. Pharmacological restoration of GTP hydrolysis by mutant RAS. Nature 2025 637 224 229 9D7S 39415050 Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with Api antimicrobial peptide, mRNA, A-site release factor 1, and deacylated P-site and E-site tRNAphe at 2.85A resolution 2024-08-17 2024-11-13 Huang, W.,Baliga, C.,Aleksandrova, E.V.,Atkinson, G.,Polikanov, Y.S.,Vazquez-Laslop, N.,Mankin, A.S. Activity, structure, and diversity of Type II proline-rich antimicrobial peptides from insects. Embo Rep. 2024 25 5194 5211 9DFE 39372947 Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with lasso peptide lariocidin and protein Y at 2.60A resolution 2024-08-29 2024-11-20 Wright, G.,Jangra, M.,Travin, D.,Aleksandrova, E.,Kaur, M.,Darwish, L.,Koteva, K.,Klepacki, D.,Wang, W.,Tiffany, M.,Sokaribo, A.,Coombes, B.,Vazquez-Laslop, N.,Polikanov, Y.,Mankin, A. A Broad Spectrum Lasso Peptide Antibiotic Targeting the Bacterial Ribosome. 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Science 2024 386 1154 1161 8V5Q 39460278 Varicella Zoster Virus (VZV) glycoprotein E (gE) gI binding domain in complex with human Fab 1E3 2023-11-30 2024-12-11 Harshbarger, W.D.,Holzapfel, G.,Seraj, N.,Tian, S.,Chesterman, C.,Fu, Z.,Pan, Y.,Harelson, C.,Peng, D.,Huang, Y.,Chandramouli, S.,Malito, E.,Bottomley, M.J.,Williams, J. Structures of the Varicella Zoster Virus Glycoprotein E and Epitope Mapping of Vaccine-Elicited Antibodies. Vaccines (Basel) 2024 12 0 0 9AWX 39626211 Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(imidazo[1,5-a]pyrazin-8-yl)azetidin-3-yl)-3-(2-(6-methyl-4-(3-methyl-3-phenylpyrrolidin-1-yl)-2-oxopyridin-1(2H)-yl)ethyl)urea 2024-03-05 2024-12-18 Lederberg, O.L.,Yan, N.L.,Sanchez, J.,Ren, W.,Ash, C.,Wilkens, S.J.,Qiu, H.,Qin, B.,Grant, V.H.,Jackman, A.B.,Stanfield, R.L.,Wilson, I.A.,Petrassi, H.M.,Rhoades, D.,Kelly, J.W. Discovery of Potent and Selective Pyridone-Based Small Molecule Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains. J.Med.Chem. 2024 67 21070 21105 9AWY 39626211 Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 3-(2-(4-(3-ethyl-3-phenylpyrrolidin-1-yl)-6-methyl-2-oxopyridin-1(2H)-yl)ethyl)-8-(imidazo[1,5-a]pyrazin-8-yl)-1,3,8-triazaspiro[4.5]decan-2-one 2024-03-05 2024-12-18 Lederberg, O.L.,Yan, N.L.,Sanchez, J.,Ren, W.,Ash, C.,Wilkens, S.J.,Qiu, H.,Qin, B.,Grant, V.H.,Jackman, A.B.,Stanfield, R.L.,Wilson, I.A.,Petrassi, H.M.,Rhoades, D.,Kelly, J.W. Discovery of Potent and Selective Pyridone-Based Small Molecule Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains. J.Med.Chem. 2024 67 21070 21105 9C7D 39745947 Human monoclonal antibody MAD22-38 bound to the N-terminus of cleaved circumsporozoite protein 2024-06-10 2024-12-25 Dacon, C.,Moskovitz, R.,Swearingen, K.,Da Silva Pereira, L.,Flores-Garcia, Y.,Aleshnick, M.,Kanatani, S.,Flynn, B.,Molina-Cruz, A.,Wollenberg, K.,Traver, M.,Kirtley, P.,Purser, L.,Dillon, M.,Bonilla, B.,Franco, A.,Petros, S.,Kritzberg, J.,Tucker, C.,Paez, G.G.,Gupta, P.,Shears, M.J.,Pazzi, J.,Edgar, J.M.,Teng, A.A.,Belmonte, A.,Oda, K.,Doumbo, S.,Krymskaya, L.,Skinner, J.,Li, S.,Ghosal, S.,Kayentao, K.,Ongoiba, A.,Vaughan, A.,Campo, J.J.,Traore, B.,Barillas-Mury, C.,Wijayalath, W.,Idris, A.,Crompton, P.D.,Sinnis, P.,Wilder, B.K.,Zavala, F.,Seder, R.A.,Wilson, I.A.,Tan, J. Protective antibodies target cryptic epitope unmasked by cleavage of malaria sporozoite protein. 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Science 2025 387 0 0 8UEA 39747827 Crystal structure of SARS-CoV-2 3CL protease with inhibitor 29 2023-09-30 2025-01-01 Liu, H.,Zask, A.,Forouhar, F.,Iketani, S.,Williams, A.,Vaz, D.R.,Habashi, D.,Choi, K.,Resnick, S.J.,Hong, S.J.,Lovett, D.H.,Bai, T.,Chavez, A.,Ho, D.D.,Stockwell, B.R. Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening. Nat Commun 2025 16 152 152 8UEB 39747827 Crystal structure of SARS-CoV-2 3CL protease with inhibitor 30 2023-09-30 2025-01-01 Liu, H.,Zask, A.,Forouhar, F.,Iketani, S.,Williams, A.,Vaz, D.R.,Habashi, D.,Choi, K.,Resnick, S.J.,Hong, S.J.,Lovett, D.H.,Bai, T.,Chavez, A.,Ho, D.D.,Stockwell, B.R. Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening. 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Nat Commun 2025 16 4730 4730 9EIB 40307559 Structure of Myroides odoratus prophage anti-Thoeris 2 (ModTad2) in complex with hisADPR 2024-11-25 2025-04-16 Sabonis, D.,Avraham, C.,Chang, R.B.,Lu, A.,Herbst, E.,Silanskas, A.,Vilutis, D.,Leavitt, A.,Yirmiya, E.,Toyoda, H.C.,Ruksenaite, A.,Zaremba, M.,Osterman, I.,Amitai, G.,Kranzusch, P.J.,Sorek, R.,Tamulaitiene, G. TIR domains produce histidine-ADPR as an immune signal in bacteria. Nature 2025 642 467 473 9MS2 40210880 Crystal structure of human CYP3A5 in complex with SJYHJ-111 2025-01-09 2025-04-16 Wang, J.,Nithianantham, S.,Chai, S.C.,Jung, Y.H.,Yang, L.,Ong, H.W.,Li, Y.,Zhang, Y.,Miller, D.J.,Chen, T. Decoding the selective chemical modulation of CYP3A4. Nat Commun 2025 16 3423 3423 9C1T 40310722 Crystal structure of integrin beta-3 tail bound to the FERM-folded talin head domain with a D397R mutation 2024-05-29 2025-04-23 Gao, T.,Maskalenko, N.A.,Kabir, S.,Campbell, K.S.,Wu, J. Molecular basis of beta 2 integrin activation by talin unveils subunit-specific mechanisms of integrin signaling. Cell Rep 2025 44 115607 115607 9DT9 Crystal Structure of 231_C2_TrkA 2024-09-30 2025-04-23 Schlichthaerle, T.,Baker, D. De novo design of TrkA specific agonists To Be Published 0 0 0 0 9MR6 40313832 X-ray crystal structure of SAMHD1 from Rhizophagus irregularis 2025-01-07 2025-04-30 Pan, L.,Lachowicz, J.C.,Paddy, I.,Xu, Y.,Yang, Q.,Zizola, C.,Milne, A.,Grove, T.L.,Pandelia, M.E. Activation and Allostery in a Fungal SAMHD1 Hydrolase: An Evolutionary Blueprint for dNTP Catabolism. Jacs Au 2025 5 1862 1874 9C0P M. tuberculosis PKS13 acyltransferase (AT) domain in complex with SuFEx inhibitor CEC215 2024-05-27 2025-05-07 Krieger, I.K.,Sacchettini, J.C.,McNamara, C.W. A SuFEx-based TB clinical candidate irreversibly inhibits Pks13 To Be Published 0 0 0 0 9DBJ 40306316 Structure of Hailong HalB R164A mutant with non-hydrolyzable dATP 2024-08-23 2025-05-07 Tan, J.M.J.,Melamed, S.,Cofsky, J.C.,Syangtan, D.,Hobbs, S.J.,Del Marmol, J.,Jost, M.,Kruse, A.C.,Sorek, R.,Kranzusch, P.J. A DNA-gated molecular guard controls bacterial Hailong anti-phage defence. Nature 2025 0 0 0 9MP4 40277177 Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 ms) 2024-12-30 2025-05-07 Indergaard, J.A.,Mahmood, K.,Gabriel, L.,Zhong, G.,Lastovka, A.,McLeod, M.J.,Thorne, R.E. Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution. Iucrj 2025 12 372 383 9MP5 40277177 Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 ms) 2024-12-30 2025-05-07 Indergaard, J.A.,Mahmood, K.,Gabriel, L.,Zhong, G.,Lastovka, A.,McLeod, M.J.,Thorne, R.E. Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution. Iucrj 2025 12 372 383 9MP6 40277177 Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 ms) 2024-12-30 2025-05-07 Indergaard, J.A.,Mahmood, K.,Gabriel, L.,Zhong, G.,Lastovka, A.,McLeod, M.J.,Thorne, R.E. Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution. Iucrj 2025 12 372 383 9MP7 40277177 Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 ms) 2024-12-30 2025-05-07 Indergaard, J.A.,Mahmood, K.,Gabriel, L.,Zhong, G.,Lastovka, A.,McLeod, M.J.,Thorne, R.E. Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution. Iucrj 2025 12 372 383 9MP8 40277177 Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 ms) 2024-12-30 2025-05-07 Indergaard, J.A.,Mahmood, K.,Gabriel, L.,Zhong, G.,Lastovka, A.,McLeod, M.J.,Thorne, R.E. Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution. Iucrj 2025 12 372 383 9MP9 40277177 Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 ms) 2024-12-30 2025-05-07 Indergaard, J.A.,Mahmood, K.,Gabriel, L.,Zhong, G.,Lastovka, A.,McLeod, M.J.,Thorne, R.E. Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution. Iucrj 2025 12 372 383 9MPA 40277177 Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 ms) 2024-12-30 2025-05-07 Indergaard, J.A.,Mahmood, K.,Gabriel, L.,Zhong, G.,Lastovka, A.,McLeod, M.J.,Thorne, R.E. Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution. Iucrj 2025 12 372 383 9NTN 40236162 Structure of Cap10-CdnD complex containing NDG modification 2025-03-18 2025-05-07 Wassarman, D.R.,Pfaff, P.,Paulo, J.A.,Gygi, S.P.,Shokat, K.M.,Kranzusch, P.J. Deazaguanylation is a nucleobase-protein conjugation required for type IV CBASS immunity. Biorxiv 2025 0 0 0 9NTO 40236162 Structure of Cap9-CdnD complex containing NDG modification 2025-03-18 2025-05-07 Wassarman, D.R.,Pfaff, P.,Paulo, J.A.,Gygi, S.P.,Shokat, K.M.,Kranzusch, P.J. Deazaguanylation is a nucleobase-protein conjugation required for type IV CBASS immunity. Biorxiv 2025 0 0 0 9BPN Crystal structure of the allosteric MKP5 mutant Y435W 2024-05-07 2025-05-14 Manjula, R.,Bennett, A.M.,Lolis, E. Dynamic and structural insights into allosteric regulation on MKP5/DUSP10 a dual-specificity phosphatase To Be Published 0 0 0 0 9BRF Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL004-21 2024-05-11 2025-05-14 Chen, Y.,Tesmer, J.J.G. Structural insights into a class of GRK5 inhibitors To Be Published 0 0 0 0 9OFX Crystal structure of c-Src SH3 domain in H32 space group mediated by nickel 2025-04-30 2025-05-14 Calicdan, X.,Fisher, O.S.,Ha, B.H.,Boggon, T.J.,Stiegler, A.L. Crystal structure of c-Src SH3 domain in H32 space group mediated by nickel To Be Published 0 0 0 0 9BY5 40273983 Crystal Structure of RT-PhyR (ruthe_01174) 2024-05-23 2025-05-21 Swingle, D.,Epstein, L.,Aymon, R.,Isiorho, E.A.,Abzalimov, R.R.,Favaro, D.C.,Gardner, K.H. Variations in kinase and effector signaling logic in a bacterial two component signaling network. J.Biol.Chem. 2025 301 108534 108534 9EH3 40328673 Co-MAHF-9 A8Q Metal Alpha-Helix Frameworks 2024-11-21 2025-05-21 Richardson-Matthews, R.,Velko, K.,Bhunia, B.,Ghosh, S.,Oktawiec, J.,Brunzelle, J.S.,Dang, V.T.,Nguyen, A.I. Metal-alpha-Helix Peptide Frameworks. J.Am.Chem.Soc. 2025 147 17433 17447 9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 2024-05-16 2025-05-28 Manjula, R.,Bennett, A.M.,Lolis, E. Dynamic and structural insights into allosteric regulation on MKP5/DUSP10 a dual-specificity phosphatase To Be Published 0 0 0 0 9C2K The crystal structure of HIV-1 Rev Response Element Stem-Loop II in complex with a Fab 2024-05-31 2025-05-28 Ojha, M.,Koirala, D. Crystal structure of HIV-1 RRE SL2 in complex with Fab BL3-6 To Be Published 0 0 0 0 9C75 The crystal structure of HIV-1 Rev Response Element Stem-Loop II G34U mutant in complex with a Fab 2024-06-10 2025-05-28 Ojha, M.,Koirala, D. The crystal structure of HIV-1 Rev Response Element Stem-Loop II G34U mutant in complex with a Fab To Be Published 0 0 0 0 9E7D Crystal structure of HIV-1 RRE SLII A31C mutant in complex with Fab BL3-6 2024-11-01 2025-05-28 Ojha, M.,Koirala, D. Crystal structure of HIV-1 RRE SLII A31C mutant in complex with Fab BL3-6 To Be Published 0 0 0 0 9E7E Crystal structure of HIV-1 RRE SLII A31CG39C mutant in complex with Fab BL3-6 2024-11-01 2025-05-28 Ojha, M.,Koirala, D. Crystal structure of HIV-1 RRE SLII A31CG39C mutant in complex with Fab BL3-6 To Be Published 0 0 0 0 9E7G Crystal structure of HIV-1 RRE SLII G34C mutant in complex with Fab BL3-6 2024-11-01 2025-05-28 Ojha, M.,Koirala, D. Crystal structure of HIV-1 RRE SLII G34C mutant in complex with Fab BL3-6 To Be Published 0 0 0 0 9MIL 40398050 Superoxide dismutase residues 28-39 with G37R mutation 2024-12-13 2025-06-04 Hirschbeck, S.S.,Sawaya, M.R.,Lindberg, E.T.,Limbach, M.N.,Jang, J.H.,Lazar Cantrell, K.L.,Eisenberg, D.S.,Do, T.D. Amyloid Oligomers: Expediting Crystal Growth and Revisiting the Corkscrew Structures. J.Am.Chem.Soc. 2025 147 18594 18605 9MSV 40397669 Candida albicans Hsp90 nucleotide binding domain in complex with BEP800 2025-01-10 2025-06-04 Kowalewski, M.E.,Zagler, S.,Redinbo, M.R. Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry 2025 64 2401 2411 9MSX 40397669 Candida albicans Hsp90 nucleotide binding domain in complex with TAS116 2025-01-10 2025-06-04 Kowalewski, M.E.,Zagler, S.,Redinbo, M.R. Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry 2025 64 2401 2411 9MT3 40397669 Candida albicans Hsp90 nucleotide binding domain in complex with XL888 2025-01-10 2025-06-04 Kowalewski, M.E.,Zagler, S.,Redinbo, M.R. Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry 2025 64 2401 2411 9MT9 40397669 Candida albicans Hsp90 nucleotide binding domain in complex with BTB10184 2025-01-10 2025-06-04 Kowalewski, M.E.,Zagler, S.,Redinbo, M.R. Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry 2025 64 2401 2411 9MTB 40397669 Candida albicans Hsp90 nucleotide binding domain in complex with AMPPNP 2025-01-10 2025-06-04 Kowalewski, M.E.,Zagler, S.,Redinbo, M.R. Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry 2025 64 2401 2411 9N3E 40442124 Crystal structure of Arabidopsis metacaspase 9 C147G at pH 5.5 2025-01-30 2025-06-11 Liu, H.,Henderson, M.,Pang, Z.,Zhang, Q.,Lam, E.,Liu, Q. Structural determinants for pH-dependent activation of a plant metacaspase. Nat Commun 2025 16 4973 4973 9C7X Crystal structure of SARS-CoV-2 antibody 1H06 in complex with a HR2 peptide 2024-06-11 2025-06-18 Sastry, M. SARS-CoV-2 Peptide Immunization in Mice Elicits Broadly Neutralizing Antibodies Targeting Cryptic S2 Helical-Stem Epitope To Be Published 0 0 0 0 9CMB Human PU.1 ETS Domain (165-270) bound to d(AATAAAAGGAAGTGGG) 2024-07-13 2025-06-18 Poon, G.M.K. Human PU.1 ETS Domain (165-270) bound to d(AATAAAAGGAAGTGGG) To Be Published 0 0 0 0 9EET 40479048 Crystal structure of the SARS-CoV-2 nsp5 main protease (Mpro) E166V mutant in complex with inhibitor GC376 2024-11-19 2025-06-18 Neilsen, G.,Lan, S.,Slack, R.L.,Lorson, Z.C.,Emanuelli Castaner, A.,Lee, R.,Edwards, K.G.,Zhang, H.,Lee, J.,Cantara, W.A.,Cilento, M.E.,Zhang, H.,De, R.,Amblard, F.,Tedbury, P.R.,Kirby, K.A.,Schinazi, R.F.,Sarafianos, S.G. Strategy to overcome a nirmatrelvir resistance mechanism in the SARS-CoV-2 nsp5 protease. Sci Adv 2025 11 0 0 9NLG 40473611 CBASS Pseudomonas syringae Cap5 tetramer with 3'2'-c-GAMP cyclic dinucleotide ligand (His56Ala mutant without Mg2+ ions) 2025-03-03 2025-06-18 Rechkoblit, O.,Sciaky, D.,Ni, M.,Li, Y.,Kottur, J.,Fang, G.,Aggarwal, A.K. Mechanism of DNA degradation by CBASS Cap5 endonuclease immune effector. Nat Commun 2025 16 5243 5243 9CPP Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies M22-17 and CC12.3 2024-07-18 2025-06-25 Feng, Z.,Wilson, I.A. Structures of CR3022-like antibodies To Be Published 0 0 0 0 9CPS Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies M22-91 and CC12.3 2024-07-18 2025-06-25 Feng, Z.,Wilson, I.A. Structures of CR3022-like antibodies To Be Published 0 0 0 0 9CPT Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies M22-92 and CC12.3 2024-07-18 2025-06-25 Feng, Z.,Wilson, I.A. Structures of CR3022-like antibodies To Be Published 0 0 0 0 9ONM 40501712 near-apo rubrerythrin 2025-05-15 2025-06-25 Budziszewski, G.R.,Lynch, M.L.,Snell, M.E.,Monteiro, D.C.,Bowman, S.E. Burkholderia pseudomallei rubrerythrin promiscuously binds metals in a structurally pre-formed bimetallic binding site. Biorxiv 2025 0 0 0 9CDV 40542165 Crystal Structure of Rhombotarget A 2024-06-25 2025-07-02 Rettie, S.A.,Juergens, D.,Adebomi, V.,Bueso, Y.F.,Zhao, Q.,Leveille, A.N.,Liu, A.,Bera, A.K.,Wilms, J.A.,Uffing, A.,Kang, A.,Brackenbrough, E.,Lamb, M.,Gerben, S.R.,Murray, A.,Levine, P.M.,Schneider, M.,Vasireddy, V.,Ovchinnikov, S.,Weiergraber, O.H.,Willbold, D.,Kritzer, J.A.,Mougous, J.D.,Baker, D.,DiMaio, F.,Bhardwaj, G. Accurate de novo design of high-affinity protein-binding macrocycles using deep learning. Nat.Chem.Biol. 2025 0 0 0