6SZY
| Crystal structure of YTHDC1 with fragment 12 (DHU_DC1_150) | 分子名称: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | 登録日 | 2019-10-02 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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7DVI
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5W9K
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7NDT
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7NDU
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5J10
| De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | peptide design 2L4HC2_24 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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7NDQ
| Gag:02 TCR in complex with HLA-E. | 分子名称: | Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ... | 著者 | Pengelly, R.J, Robinson, R.A. | 登録日 | 2021-02-02 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.551 Å) | 主引用文献 | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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5WIB
| Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to imipenem | 分子名称: | Imipenem, OXA-239 | 著者 | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | 登録日 | 2017-07-19 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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4UNE
| Human insulin B26Phe mutant crystal structure | 分子名称: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | 著者 | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | 登録日 | 2014-05-28 | 公開日 | 2014-10-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex Acta Crystallogr.,Sect.D, 70, 2014
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4UFE
| Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide | 分子名称: | (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-03-16 | 公開日 | 2016-01-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | 主引用文献 | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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5J2W
| Intermediate state lying on the pathway of release of Tat from HIV-1 TAR. | 分子名称: | Apical region (29mer) of the HIV-1 TAR RNA element, Cyclic peptide mimetic of HIV-1 Tat | 著者 | Borkar, A.N, Bardaro Jr, M.F, Varani, G, Vendruscolo, M. | 登録日 | 2016-03-30 | 公開日 | 2016-06-08 | 最終更新日 | 2019-10-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of a low-population binding intermediate in protein-RNA recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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4UB4
| DNA polymerase beta substrate complex with a templating cytosine and incoming dGTP, 0 s | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ... | 著者 | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | 登録日 | 2014-08-11 | 公開日 | 2014-11-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | 主引用文献 | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
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5AXF
| Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NMe) | 分子名称: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSM)P*AP*CP*GP*C)-3') | 著者 | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | 登録日 | 2015-07-28 | 公開日 | 2016-07-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure. Org.Biomol.Chem., 14, 2016
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7N40
| Crystal structure of LIN9-RbAp48-LIN37, a MuvB subcomplex | 分子名称: | Histone-binding protein RBBP4, Isoform 2 of Protein lin-9 homolog, Protein lin-37 homolog | 著者 | Asthana, A, Ramanan, P, Tripathi, S.M, Rubin, S.M. | 登録日 | 2021-06-02 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The MuvB complex binds and stabilizes nucleosomes downstream of the transcription start site of cell-cycle dependent genes. Nat Commun, 13, 2022
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5WKG
| Crystal Structure of Human CD1b in Complex with PA | 分子名称: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Shahine, A, Gras, S, Rossjohn, J. | 登録日 | 2017-07-25 | 公開日 | 2017-11-01 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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5C08
| 1E6 TCR in Complex with HLA-A0e carrying RQWGPDPAAV | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.332 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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6SL7
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4UM9
| Crystal structure of alpha V beta 6 with peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Dong, X, Springer, T.A. | 登録日 | 2014-05-15 | 公開日 | 2014-11-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta Nat.Struct.Mol.Biol., 21, 2014
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5WG6
| Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor | 分子名称: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12 (E.C.2.1.1.43) chimera, Polycomb protein EED, ... | 著者 | Bratkowski, M.A, Liu, X. | 登録日 | 2017-07-13 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.901 Å) | 主引用文献 | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018
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6JUW
| BOVINE HEART CYTOCHROME C OXIDASE IN CATALITIC INTERMEDIATES AT 1.80 ANGSTROM RESOLUTION | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Shimada, A, Muramoto, K, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T. | 登録日 | 2019-04-15 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray structures of catalytic intermediates of cytochromecoxidase provide insights into its O2activation and unidirectional proton-pump mechanisms. J.Biol.Chem., 295, 2020
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5C09
| HLA class I histocompatibility antigen | 分子名称: | 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.475 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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4UFD
| Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine | 分子名称: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-03-16 | 公開日 | 2016-01-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.429 Å) | 主引用文献 | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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7NH8
| Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide | 分子名称: | Carbonic anhydrase 2, N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide, ZINC ION | 著者 | Angeli, A, Ferraroni, M. | 登録日 | 2021-02-10 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.369 Å) | 主引用文献 | Synthesis of Azasugar-Sulfonamide conjugates and their Evaluation as Inhibitors of Carbonic Anhydrases: the Azasugar Approach to Selectivity Eur.J.Org.Chem., 2021
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5C3H
| Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 | 分子名称: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-17 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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4UFG
| Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | 分子名称: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | 著者 | Ruehmann, E, Heine, A, Klebe, G. | 登録日 | 2015-03-17 | 公開日 | 2016-01-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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