5XPE
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![BU of 5xpe by Molmil](/molmil-images/mine/5xpe) | Neutron structure of the T26H mutant of T4 lysozyme | 分子名称: | CHLORIDE ION, Endolysin, SODIUM ION | 著者 | Hiromoto, T, Kuroki, R. | 登録日 | 2017-06-01 | 公開日 | 2017-10-04 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.648 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type. Protein Sci., 26, 2017
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7RNP
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5RBQ
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![BU of 5rbq by Molmil](/molmil-images/mine/5rbq) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library B06b | 分子名称: | (1S)-1-(4-nitrophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RC5
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![BU of 5rc5 by Molmil](/molmil-images/mine/5rc5) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F06b | 分子名称: | (2R)-N-tert-butylpiperidine-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCK
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![BU of 5rck by Molmil](/molmil-images/mine/5rck) | PanDDA analysis group deposition -- Endothiapepsin ground state model 05 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RD0
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![BU of 5rd0 by Molmil](/molmil-images/mine/5rd0) | PanDDA analysis group deposition -- Endothiapepsin ground state model 22 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDC
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![BU of 5rdc by Molmil](/molmil-images/mine/5rdc) | PanDDA analysis group deposition -- Endothiapepsin ground state model 34 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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3VDB
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![BU of 3vdb by Molmil](/molmil-images/mine/3vdb) | E. coli (lacZ) beta-galactosidase (N460T) in complex with galactonolactone | 分子名称: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | 著者 | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | 登録日 | 2012-01-04 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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5XAB
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![BU of 5xab by Molmil](/molmil-images/mine/5xab) | Complete structure factors and an atomic model of the calcium pump (SERCA1A) and associated phospholipids in the E2(TG) crystals | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | 著者 | Norimatsu, Y, Hasegawa, K, Shimizu, N, Toyoshima, C. | 登録日 | 2017-03-11 | 公開日 | 2017-06-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Protein-phospholipid interplay revealed with crystals of a calcium pump. Nature, 545, 2017
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5RBR
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![BU of 5rbr by Molmil](/molmil-images/mine/5rbr) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C04a | 分子名称: | 2-hydrazinyl-4-methoxypyrimidine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCU
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![BU of 5rcu by Molmil](/molmil-images/mine/5rcu) | PanDDA analysis group deposition -- Endothiapepsin ground state model 16 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDB
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![BU of 5rdb by Molmil](/molmil-images/mine/5rdb) | PanDDA analysis group deposition -- Endothiapepsin ground state model 33 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RBX
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![BU of 5rbx by Molmil](/molmil-images/mine/5rbx) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D10a | 分子名称: | 2-methyl-N-(4-methylphenyl)-L-alanine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDF
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![BU of 5rdf by Molmil](/molmil-images/mine/5rdf) | PanDDA analysis group deposition -- Endothiapepsin ground state model 37 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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3VF5
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![BU of 3vf5 by Molmil](/molmil-images/mine/3vf5) | Crystal Structure of HIV-1 Protease Mutant I47V with novel P1'-Ligands GRL-02031 | 分子名称: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | 登録日 | 2012-01-09 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
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6WGO
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![BU of 6wgo by Molmil](/molmil-images/mine/6wgo) | The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week | 分子名称: | ACETATE ION, Lysozyme, SODIUM ION, ... | 著者 | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | 登録日 | 2020-04-06 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules. Inorg.Chem., 60, 2021
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5XUT
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![BU of 5xut by Molmil](/molmil-images/mine/5xut) | Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TCTA PAM) | 分子名称: | 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*CP*TP*A)-3'), ... | 著者 | Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2017-06-26 | 公開日 | 2017-08-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1. Mol. Cell, 67, 2017
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7S49
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![BU of 7s49 by Molmil](/molmil-images/mine/7s49) | Crystal Structure of Inhibitor-bound Galactokinase | 分子名称: | (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, Galactokinase, PHOSPHATE ION, ... | 著者 | Whitby, F.G. | 登録日 | 2021-09-08 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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7S4C
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![BU of 7s4c by Molmil](/molmil-images/mine/7s4c) | Crystal Structure of Inhibitor-bound Galactokinase | 分子名称: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, Galactokinase, PHOSPHATE ION, ... | 著者 | Whitby, F.G. | 登録日 | 2021-09-08 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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5RCN
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![BU of 5rcn by Molmil](/molmil-images/mine/5rcn) | PanDDA analysis group deposition -- Endothiapepsin ground state model 08 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RD3
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![BU of 5rd3 by Molmil](/molmil-images/mine/5rd3) | PanDDA analysis group deposition -- Endothiapepsin ground state model 25 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDK
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![BU of 5rdk by Molmil](/molmil-images/mine/5rdk) | PanDDA analysis group deposition -- Endothiapepsin ground state model 44 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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6XYA
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![BU of 6xya by Molmil](/molmil-images/mine/6xya) | Cap-binding domain of SFTSV L protein | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase, SODIUM ION | 著者 | Gogrefe, N, Guenther, S, Rosenthal, M. | 登録日 | 2020-01-30 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein. Nucleic Acids Res., 48, 2020
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3VHS
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6XPM
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![BU of 6xpm by Molmil](/molmil-images/mine/6xpm) | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature | 分子名称: | Lysophospholipase L1, SODIUM ION | 著者 | Kim, Y, Johnson, J, Welk, L, Endres, M, Levens, A, Sherrell, D.A, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2020-07-08 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature To Be Published
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