2BFF
 
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | 登録日 | 2004-12-06 | | 公開日 | 2006-02-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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7FCP
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7FCQ
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4J3J
 | | Crystal Structure of DPP-IV with Compound C3 | | 分子名称: | Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide | | 著者 | Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. | | 登録日 | 2013-02-05 | | 公開日 | 2014-02-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors
Chemmedchem, 8, 2013
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2BEV
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE, ... | | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | 登録日 | 2004-11-30 | | 公開日 | 2006-02-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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7C43
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7C4C
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7C4B
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7C45
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7C47
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7C42
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5HDE
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3EOP
 | | Crystal Structure of the DUF55 domain of human thymocyte nuclear protein 1 | | 分子名称: | SULFATE ION, Thymocyte nuclear protein 1 | | 著者 | Yu, F, Song, A, Xu, C, Sun, L, Li, L, Tang, L, Hu, H, He, J. | | 登録日 | 2008-09-29 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Determining the DUF55-domain structure of human thymocyte nuclear protein 1 from crystals partially twinned by tetartohedry
Acta Crystallogr.,Sect.D, 65, 2009
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5IZ8
 | | Protein-protein interaction | | 分子名称: | ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL | | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | 登録日 | 2016-03-25 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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7D9P
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12 | | 分子名称: | (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Liu, Q.F, Yin, W.C. | | 登録日 | 2020-10-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7D9Q
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | | 分子名称: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Liu, Q.F, Yin, W.C. | | 登録日 | 2020-10-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7D9O
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 | | 分子名称: | (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Liu, Q.F, Yin, W.C. | | 登録日 | 2020-10-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7D2F
 | | Lp major histidine acid phosphatase mutant D281A/5'-AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, Major acid phosphatase | | 著者 | Guo, Y, Teng, Y. | | 登録日 | 2020-09-16 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 540, 2021
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7D57
 | | C-Src in complex with FIIN-2 | | 分子名称: | N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION | | 著者 | Chen, Y.H, Qu, L.Z. | | 登録日 | 2020-09-25 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
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6V2F
 | | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | | 分子名称: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | 著者 | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | | 登録日 | 2019-11-22 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
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5IZ9
 | | Protein-protein interaction | | 分子名称: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein | | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | 登録日 | 2016-03-25 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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7D5O
 | | C-Src in complex with TAS-120 | | 分子名称: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Qu, L.Z, Chen, Y.H. | | 登録日 | 2020-09-27 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
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7DOQ
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3W2D
 | | Crystal Structure of Staphylococcal Eenterotoxin B in complex with a novel neutralization monoclonal antibody Fab fragment | | 分子名称: | Enterotoxin type B, Monoclonal Antibody 3E2 Fab figment heavy chain, Monoclonal Antibody 3E2 Fab figment light chain, ... | | 著者 | Liang, S.Y, Hu, S, Dai, J.X, Guo, Y.J, Lou, Z.Y. | | 登録日 | 2012-11-28 | | 公開日 | 2013-12-25 | | 最終更新日 | 2014-04-16 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural basis for the neutralization and specificity of Staphylococcal enterotoxin B against its MHC Class II binding site.
MAbs, 6, 2014
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5IZ6
 | | Protein-protein interaction | | 分子名称: | Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ... | | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | 登録日 | 2016-03-25 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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