5WUQ
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![BU of 5wuq by Molmil](/molmil-images/mine/5wuq) | Crystal structure of SigW in complex with its anti-sigma RsiW, a zinc binding form | 分子名称: | Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW, ZINC ION | 著者 | Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y. | 登録日 | 2016-12-20 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW PLoS ONE, 12, 2017
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7H0Q
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![BU of 7h0q by Molmil](/molmil-images/mine/7h0q) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013821-001 | 分子名称: | 4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-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 (1.15 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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2WKB
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![BU of 2wkb by Molmil](/molmil-images/mine/2wkb) | Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium berghei | 分子名称: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | 著者 | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | 登録日 | 2009-06-08 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | The Crystal Structures of Macrophage Migration Inhibition Factor (Mif) from Plasmodium Falciparum and Plasmodium Berghei. Protein Sci., 18, 2009
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7GZ6
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![BU of 7gz6 by Molmil](/molmil-images/mine/7gz6) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000243-001 | 分子名称: | (3R)-3-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyrrolidine-3-carboxylic 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 (1.15 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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3KTM
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![BU of 3ktm by Molmil](/molmil-images/mine/3ktm) | Structure of the Heparin-induced E1-Dimer of the Amyloid Precursor Protein (APP) | 分子名称: | (3R)-butane-1,3-diol, ACETATE ION, Amyloid beta A4 protein, ... | 著者 | Dahms, S.O, Hoefgen, S, Roeser, D, Schlott, B, Guhrs, K.H, Than, M.E. | 登録日 | 2009-11-25 | 公開日 | 2010-02-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure and biochemical analysis of the heparin-induced E1 dimer of the amyloid precursor protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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7H19
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![BU of 7h19 by Molmil](/molmil-images/mine/7h19) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013827-001 | 分子名称: | 4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-N-ethyl-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 (1.15 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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7H1A
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![BU of 7h1a by Molmil](/molmil-images/mine/7h1a) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013833-001 | 分子名称: | 2-[(4P)-4-(4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide, 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 (1.15 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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7GZA
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![BU of 7gza by Molmil](/molmil-images/mine/7gza) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000479-001 | 分子名称: | (3R)-3-(propan-2-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one, 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 (1.14 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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7GZK
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![BU of 7gzk by Molmil](/molmil-images/mine/7gzk) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000877-001 | 分子名称: | N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-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 (1.163 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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7GZL
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![BU of 7gzl by Molmil](/molmil-images/mine/7gzl) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008304-001 | 分子名称: | (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid, 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 (1.16 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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5WCZ
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7GZ4
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![BU of 7gz4 by Molmil](/molmil-images/mine/7gz4) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000018-001 | 分子名称: | 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, 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 (1.119 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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4XDJ
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![BU of 4xdj by Molmil](/molmil-images/mine/4xdj) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2) | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ... | 著者 | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2014-12-19 | 公開日 | 2015-03-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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7GZH
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![BU of 7gzh by Molmil](/molmil-images/mine/7gzh) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000670-001 | 分子名称: | (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic 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 (1.25 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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2L8M
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![BU of 2l8m by Molmil](/molmil-images/mine/2l8m) | Reduced and CO-bound cytochrome P450cam (CYP101A1) | 分子名称: | CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ... | 著者 | Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J. | 登録日 | 2011-01-19 | 公開日 | 2011-02-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam). Biochemistry, 50, 2011
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4NWP
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![BU of 4nwp by Molmil](/molmil-images/mine/4nwp) | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group R32 | 分子名称: | AMMONIUM ION, Putative uncharacterized protein, SULFATE ION, ... | 著者 | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | 登録日 | 2013-12-06 | 公開日 | 2014-05-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
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6X3Q
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![BU of 6x3q by Molmil](/molmil-images/mine/6x3q) | |
7QU7
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![BU of 7qu7 by Molmil](/molmil-images/mine/7qu7) | ATAD2 in complex with FragLite16 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-01-17 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6HIN
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![BU of 6hin by Molmil](/molmil-images/mine/6hin) | Mouse serotonin 5-HT3 receptor, serotonin-bound, F conformation | 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, 5-hydroxytryptamine receptor 3A, ... | 著者 | Polovinkin, L, Neumann, E, Schoehn, G, Nury, H. | 登録日 | 2018-08-30 | 公開日 | 2018-11-07 | 最終更新日 | 2022-09-14 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Conformational transitions of the serotonin 5-HT3receptor. Nature, 563, 2018
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7QWO
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![BU of 7qwo by Molmil](/molmil-images/mine/7qwo) | ATAD2 in complex with FragLite6 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-01-25 | 公開日 | 2022-11-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7QX1
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![BU of 7qx1 by Molmil](/molmil-images/mine/7qx1) | ATAD2 in complex with FragLite7 | 分子名称: | 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-01-26 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6X41
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7QXT
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![BU of 7qxt by Molmil](/molmil-images/mine/7qxt) | ATAD2 in complex with FragLite10 | 分子名称: | 1,2-ETHANEDIOL, 6-bromo-1,3-dihydro-2H-indol-2-one, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-01-27 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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3GYN
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![BU of 3gyn by Molmil](/molmil-images/mine/3gyn) | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor | 分子名称: | N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | 著者 | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | 登録日 | 2009-04-04 | 公開日 | 2009-12-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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1M8H
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![BU of 1m8h by Molmil](/molmil-images/mine/1m8h) | inducible nitric oxide synthase with 6-nitroindazole bound | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | 登録日 | 2002-07-24 | 公開日 | 2002-08-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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