7H2P
 
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z2509342103 | | 分子名称: | (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.452 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H1T
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z362020366 | | 分子名称: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H21
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269221363 | | 分子名称: | 3-ethenyl-1-methyl-pyridine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.462 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H1M
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0075 | | 分子名称: | 1-[1-(pyridin-2-yl)cyclopentyl]methanamine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.609 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H2J
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1787627869 | | 分子名称: | 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H26
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198317053 | | 分子名称: | (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
1EM1
 | | X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A | | 分子名称: | MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE, SULFATE ION | | 著者 | Leveque, V, Stroupe, M.E, Lepock, J.R, Cabelli, D.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | | 登録日 | 2000-03-14 | | 公開日 | 2000-03-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Multiple replacements of glutamine 143 in human manganese superoxide dismutase: effects on structure, stability, and catalysis.
Biochemistry, 39, 2000
|
|
6P5C
 | | Bacillus Fragment DNA polymerase mutant I716M | | 分子名称: | DNA (5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*AP*TP*CP*G)-3'), DNA polymerase I, ... | | 著者 | Wu, E.Y. | | 登録日 | 2019-05-30 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The importance of Ile716 toward the mutagenicity of 8-Oxo-2'-deoxyguanosine with Bacillus fragment DNA polymerase.
DNA Repair (Amst.), 89, 2020
|
|
4I03
 | | Human MMP12 in complex with a PEG-linked bifunctional L-glutamate motif inhibitor | | 分子名称: | (4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Stura, E.A, Vera, L, Devel, L, Cassar-Lajeunesse, E, Dive, V. | | 登録日 | 2012-11-16 | | 公開日 | 2013-04-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
|
|
7H2G
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1509195674 | | 分子名称: | 4-[(3S)-piperidin-3-yl]-1H-indole, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
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
|
|
5B6V
 | | A three dimensional movie of structural changes in bacteriorhodopsin: resting state structure | | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | 著者 | Nango, E, Royant, A, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | 登録日 | 2016-06-02 | | 公開日 | 2016-12-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
|
|
8OEG
 | | PDE4B bound to MAPI compound 92a | | 分子名称: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ... | | 著者 | Rizzi, A, Armani, E. | | 登録日 | 2023-03-10 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
|
|
7H1V
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z31113727 | | 分子名称: | 1-(pyridin-2-yl)piperidin-4-one, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
8ODW
 | | Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Modular Oxime Formation by a trans-AT Polyketide Synthase.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8AK4
 | | Structure of the C-terminally truncated NAD+-dependent DNA ligase from the poly-extremophile Deinococcus radiodurans | | 分子名称: | DNA ligase, MANGANESE (II) ION, ZINC ION | | 著者 | Fernandes, A, Williamson, A.K, Matias, P.M, Moe, E. | | 登録日 | 2022-07-29 | | 公開日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | | 主引用文献 | Structure/function studies of the NAD + -dependent DNA ligase from the poly-extremophile Deinococcus radiodurans reveal importance of the BRCT domain for DNA binding.
Extremophiles, 27, 2023
|
|
6P6A
 | | Structure of Mouse Importin alpha - NIT2 NLS peptide complex | | 分子名称: | Importin subunit alpha-1, Nitrogen catabolic enzyme regulatory protein | | 著者 | Bernardes, N.E, Fukuda, C.A, Silva, T.D, Oliveira, H.C, Fontes, M.R.M. | | 登録日 | 2019-06-03 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | | 主引用文献 | Comparative study of the interactions between fungal transcription factor nuclear localization sequences with mammalian and fungal importin-alpha.
Sci Rep, 10, 2020
|
|
7H22
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1102357527 | | 分子名称: | DIMETHYL SULFOXIDE, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.554 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
2IZU
 | | Structure of casein kinase gamma 3 in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, CASEIN KINASE I ISOFORM GAMMA-3, ... | | 著者 | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | | 登録日 | 2006-07-26 | | 公開日 | 2006-08-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Inhibitor Binding by Casein Kinases
To be Published
|
|
7H2H
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1575274523 | | 分子名称: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
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
|
|
7H1L
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0087 | | 分子名称: | (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.535 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H1Y
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57493554 | | 分子名称: | 4-(aminomethyl)-1-methylpyridinium, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.371 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
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
|
|
6P6Y
 | | Crystal structure of voltage-gated sodium channel NavAb V100C/Q150C disulfide crosslinked mutant in the activated state | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | | 著者 | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-din, T.M, Wang, L, Zheng, N, Catterall, W.A. | | 登録日 | 2019-06-04 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel.
Cell, 178, 2019
|
|
