5SMH
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434938 | 分子名称: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | 著者 | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | 登録日 | 2022-03-03 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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4EMS
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5B2X
| Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan | 分子名称: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | 著者 | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2016-02-03 | 公開日 | 2017-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of P450BM3 with decoy molecules to be published
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5B8A
| Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN | 分子名称: | Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION | 著者 | Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. | 登録日 | 2016-06-14 | 公開日 | 2017-02-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins. Sci Rep, 6, 2016
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5BNO
| Crystal structure of human enterovirus D68 in complex with 6'SLN | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Liu, Y, Sheng, J, Meng, G, Xiao, C, Rossmann, M.G. | 登録日 | 2015-05-26 | 公開日 | 2015-11-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Sialic acid-dependent cell entry of human enterovirus D68. Nat Commun, 6, 2015
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2YIQ
| Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 | 分子名称: | (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | 著者 | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | 登録日 | 2011-05-16 | 公開日 | 2011-09-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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4HUD
| Structure of the bacteriophage T4 tail terminator protein, gp15. | 分子名称: | Tail connector protein Gp15 | 著者 | Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G. | 登録日 | 2012-11-02 | 公開日 | 2013-02-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7001 Å) | 主引用文献 | The molecular architecture of the bacteriophage t4 neck. J.Mol.Biol., 425, 2013
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4EJI
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5B2Y
| Crystal Structure of P450BM3 with N-perfluorodecanoyl-L-tryptophan | 分子名称: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2016-02-07 | 公開日 | 2017-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal Structure of P450BM3 with decoy molecules to be published
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4XLS
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3B3V
| Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus | 分子名称: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | 著者 | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | 登録日 | 2007-10-22 | 公開日 | 2007-11-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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4EQJ
| Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, protease, ... | 著者 | Schiffer, C.A, Mittal, S. | 登録日 | 2012-04-19 | 公開日 | 2012-06-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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5POM
| PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10958a | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-methylquinoline-3-carboxamide, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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3BET
| Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution | 分子名称: | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2007-11-20 | 公開日 | 2008-10-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents J.Med.Chem., 51, 2008
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4XLR
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3BHK
| Crystal structure of R49K mutant of monomeric sarcosine oxidase crystallized in phosphate as precipitant | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Hassan-Abdallah, A, Zhao, G, Chen, Z, Mathews, F.S, Jorns, M.S. | 登録日 | 2007-11-28 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Arginine 49 is a bifunctional residue important in catalysis and biosynthesis of monomeric sarcosine oxidase: a context-sensitive model for the electrostatic impact of arginine to lysine mutations. Biochemistry, 47, 2008
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3AZ9
| Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS91 | 分子名称: | 4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol, Beta-hydroxyacyl-ACP dehydratase, GLYCEROL, ... | 著者 | Maity, K, Venkata, B.S, Kapoor, N, Surolia, N, Surolia, A, Suguna, K. | 登録日 | 2011-05-21 | 公開日 | 2012-02-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structural basis for the functional and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Plasmodium falciparum J.Struct.Biol., 176, 2011
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3B4X
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5PWC
| PanDDA analysis group deposition -- Crystal Structure of SP100 in complex with E48115b | 分子名称: | 1,2-ETHANEDIOL, 2,4-dichloro-N-(pyridin-3-yl)benzamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5B2U
| Crystal Structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan | 分子名称: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | 著者 | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2016-02-03 | 公開日 | 2017-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of P450BM3 with decoy molecules to be published
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4HRT
| Scapharca tetrameric hemoglobin, unliganded | 分子名称: | Globin-2 A chain, Hemoglobin B chain, PHOSPHATE ION, ... | 著者 | Royer, W.E. | 登録日 | 2012-10-28 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis. Biochemistry, 52, 2013
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5Q1P
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000299a | 分子名称: | 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, DNA cross-link repair 1A protein, MALONATE ION, ... | 著者 | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2017-05-15 | 公開日 | 2018-08-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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4XIS
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3BKM
| Structure of anti-amyloid-beta Fab WO2 (Form A, P212121) | 分子名称: | SODIUM ION, WO2 IgG2a Fab fragment Heavy Chain, WO2 IgG2a Fab fragment Light Chain Kappa, ... | 著者 | Miles, L.A, Wun, K.S, Crespi, G.A, Fodero-Tavoletti, M, Galatis, D, Bageley, C.J, Beyreuther, K, Masters, C.L, Cappai, R, McKinstry, W.J, Barnham, K.J, Parker, M.W. | 登録日 | 2007-12-07 | 公開日 | 2008-04-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope. J.Mol.Biol., 377, 2008
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5B2W
| Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan | 分子名称: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2016-02-03 | 公開日 | 2017-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal Structure of P450BM3 with decoy molecules to be published
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