7H0Y
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013258-001 | 分子名称: | 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-(1-methylazetidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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3G0G
| Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | 分子名称: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | 登録日 | 2009-01-27 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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7GZB
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000495-001 | 分子名称: | (2R)-(2,3-dihydro-1-benzofuran-5-yl)[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]acetic acid, Non-structural protein 3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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4GX0
| Crystal structure of the GsuK L97D mutant | 分子名称: | CALCIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | 著者 | Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y. | 登録日 | 2012-09-03 | 公開日 | 2012-12-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel. elife, 1, 2012
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7GYY
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000006-001 | 分子名称: | 4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H09
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011177-001 | 分子名称: | (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H0E
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011153-001 | 分子名称: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H0H
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011204-001 | 分子名称: | N-ethyl-4-{[(1S)-2-methyl-1-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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3G0C
| Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 | 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, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ... | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | 登録日 | 2009-01-27 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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4DKU
| Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-09027 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | 著者 | Kwon, Y.D, Debnath, A.K, Kwong, P.D. | 登録日 | 2012-02-04 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4902 Å) | 主引用文献 | Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study. Antimicrob. Agents Chemother., 58, 2014
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3KE1
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4DKV
| Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | 著者 | Kwon, Y.D, Debnath, A.K, Kwong, P.D. | 登録日 | 2012-02-04 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1847 Å) | 主引用文献 | Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study. Antimicrob. Agents Chemother., 58, 2014
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7H0X
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013255-001 | 分子名称: | (4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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1O8S
| Structure of CsCBM6-3 from Clostridium stercorarium in complex with cellobiose | 分子名称: | CALCIUM ION, PUTATIVE ENDO-XYLANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Boraston, A.B, Notenboom, V, Warren, R.A.J, Kilbrun, D.G, Rose, D.R, Davies, G.J. | 登録日 | 2002-11-28 | 公開日 | 2003-03-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Structure and Ligand Binding of Carbohydrate-Binding Module Cscbm6-3 Reveals Similarities with Fucose-Specific Lectins and Galactose-Binding Domains J.Mol.Biol., 327, 2003
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5UY5
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7H03
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000452-001 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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5UYF
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5FY8
| Crystal structure of human JMJD2A in complex with D-threo-isocitrate | 分子名称: | 1,2-ETHANEDIOL, 3-carboxy-2,3-dideoxy-D-erythro-pentaric acid, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2016-03-04 | 公開日 | 2016-03-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.343 Å) | 主引用文献 | Crystal Structure of Human Jmjd2A in Complex with D-Threo-Isocitrate To be Published
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1GSI
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) | 分子名称: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | 著者 | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | 登録日 | 2002-01-03 | 公開日 | 2002-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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4DVR
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5UYC
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7WCJ
| Crystal structure LpqY from Mycobacterium tuberculosis | 分子名称: | SULFATE ION, Trehalose-binding lipoprotein LpqY | 著者 | Sharma, D, Das, U. | 登録日 | 2021-12-20 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity. Acta Crystallogr D Struct Biol, 78, 2022
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1W0Y
| tf7a_3771 complex | 分子名称: | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | 著者 | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | 登録日 | 2004-05-27 | 公開日 | 2005-01-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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3AYA
| Crystal structure of galectin-3 CRD domian complexed with Thomsen-Friedenreich antigen | 分子名称: | Galectin-3, SULFATE ION, THREONINE, ... | 著者 | Bian, C.F, Li, D.F, Wang, D.C. | 登録日 | 2011-05-04 | 公開日 | 2011-10-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen Plos One, 6, 2011
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3AYD
| Crystal structure of galectin-3 CRD domian complexed with TFN | 分子名称: | Galectin-3, P-NITROPHENOL, SULFATE ION, ... | 著者 | Bian, C.F, Li, D.F, Wang, D.C. | 登録日 | 2011-05-04 | 公開日 | 2011-10-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen Plos One, 6, 2011
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