8XUD
 
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5ZBS
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5ZBR
 | | Crystal Structure of Kinesin-3 KIF13B motor domain in AMPPNP form | | 分子名称: | Kinesin family member 13B, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Ren, J.Q, Wang, S, Feng, W. | | 登録日 | 2018-02-12 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
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5ZG9
 | | Crystal structure of MoSub1-ssDNA complex in phosphate buffer | | 分子名称: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION | | 著者 | Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J. | | 登録日 | 2018-03-08 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus.
Proteins, 87, 2019
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2LWG
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2LWH
 | | NMR Structure of the Self-Complementary 10 mer DNA Duplex 5'-GGATATATCC-3' in Complex with Netropsin | | 分子名称: | DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3'), NETROPSIN | | 著者 | Rettig, M, Germann, M.W, Wilson, W, Wang, S. | | 登録日 | 2012-07-31 | | 公開日 | 2013-01-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
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7ETT
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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7ETV
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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7ETU
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit SFPFT | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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7ETS
 | | Crystal structure of crp protein from Gardnerella Vaginalis | | 分子名称: | Crp/Fnr family transcriptional regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Dong, H.J, Wang, S, Zhang, J.M, Gu, L. | | 登録日 | 2021-05-13 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Crystal structure of crp protein from Gardnerella Vaginalis
To Be Published
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7GYZ
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000035-001 | | 分子名称: | N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea, 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 (1.123 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
 | | 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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7GZZ
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011184-001 | | 分子名称: | 2-[(4M)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N-methylacetamide, 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 (1.166 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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7H0J
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012318-001 | | 分子名称: | 6-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-2,3-dihydro-4H-1,4lambda~6~-benzoxathiine-4,4-dione, 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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7H10
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013259-001 | | 分子名称: | 7-[(1R)-1-{[6-(methanesulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, 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 (1.18 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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7GZD
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000593-001 | | 分子名称: | (3R)-3-(pyridin-4-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-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 (1.16 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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7H1G
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012329-001 | | 分子名称: | 7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, 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 (1.24 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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7GZ9
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000462-001 | | 分子名称: | Non-structural protein 3, N~2~-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valinamide | | 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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7GZ2
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000072-001 | | 分子名称: | (2R)-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)azepane-2-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 (1.137 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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7GZI
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000753-001 | | 分子名称: | 3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-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 (1.3 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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7GZR
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008273-001 | | 分子名称: | (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-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 (1.455 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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7GZN
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008351-001 | | 分子名称: | (4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline, 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 (1.26 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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7H06
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0010739-001 | | 分子名称: | 7-{(1S)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, 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 (1.24 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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7H0G
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011210-001 | | 分子名称: | (4S)-6-{(1S)-1-[(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-methylpropyl}-2,3-dihydro-4H-1,4lambda~4~-benzoxathiin-4-one, 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 (1.18 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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7H05
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008287-001 | | 分子名称: | N-[(1S)-2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propyl]-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 (1.15 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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