1Q0Y
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![BU of 1q0y by Molmil](/molmil-images/mine/1q0y) | Anti-Morphine Antibody 9B1 Complexed with Morphine | 分子名称: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, Fab 9B1, Heavy chain, ... | 著者 | Pozharski, E, Wilson, M.A, Hewagama, A, Shanafelt, A.B, Petsko, G, Ringe, D. | 登録日 | 2003-07-17 | 公開日 | 2004-04-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Anchoring a cationic ligand: the structure of the Fab fragment of the anti-morphine antibody 9B1 and its complex with morphine J.Mol.Biol., 337, 2004
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2VIR
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![BU of 2vir by Molmil](/molmil-images/mine/2vir) | INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY | 分子名称: | HEMAGGLUTININ, IMMUNOGLOBULIN (IGG1, LAMBDA), ... | 著者 | Bizebard, T, Fleury, D, Gigant, B, Wharton, S.A, Skehel, J.J, Knossow, M. | 登録日 | 1997-12-22 | 公開日 | 1998-04-29 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Antigen distortion allows influenza virus to escape neutralization. Nat.Struct.Biol., 5, 1998
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2W5W
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![BU of 2w5w by Molmil](/molmil-images/mine/2w5w) | Structure of TAB5 alkaline phosphatase mutant His 135 Asp with Zn bound in the M3 site. | 分子名称: | ALKALINE PHOSPHATASE, ZINC ION | 著者 | Koutsioulis, D, Lyskowski, A, Maki, S, Guthrie, E, Feller, G, Bouriotis, V, Heikinheimo, P. | 登録日 | 2008-12-15 | 公開日 | 2009-11-24 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Coordination Sphere of the Third Metal Site is Essential to the Activity and Metal Selectivity of Alkaline Phosphatases. Protein Sci., 19, 2010
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2VON
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![BU of 2von by Molmil](/molmil-images/mine/2von) | Crystal structure of N-terminal domains of Human La protein complexed with RNA oligomer AUAAUUU | 分子名称: | 5'-R(*AP*UP*AP*AP*UP*UP*UP)-3', LUPUS LA PROTEIN | 著者 | Kotik-Kogan, O, Valentine, E.R, Sanfelice, D, Conte, M.R, Curry, S. | 登録日 | 2008-02-19 | 公開日 | 2008-05-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Analysis Reveals Conformational Plasticity in the Recognition of RNA 3' Ends by the Human La Protein. Structure, 16, 2008
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2VVI
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![BU of 2vvi by Molmil](/molmil-images/mine/2vvi) | IrisFP fluorescent protein in its green form, trans conformation | 分子名称: | Green to red photoconvertible GFP-like protein EosFP, SULFATE ION, SULFITE ION | 著者 | Adam, V, Lelimousin, M, Boehme, S, Desfonds, G, Nienhaus, K, Field, M.J, Wiedenmann, J, McSweeney, S, Nienhaus, G.U, Bourgeois, D. | 登録日 | 2008-06-09 | 公開日 | 2008-11-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Characterization of Irisfp, an Optical Highlighter Undergoing Multiple Photo-Induced Transformations. Proc.Natl.Acad.Sci.USA, 105, 2008
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2VT1
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![BU of 2vt1 by Molmil](/molmil-images/mine/2vt1) | Crystal structure of the cytoplasmic domain of Spa40, the specificity switch for the Shigella flexneri Type III Secretion System | 分子名称: | SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAS | 著者 | Deane, J.E, Graham, S.C, Mitchell, E.P, Flot, D, Johnson, S, Lea, S.M. | 登録日 | 2008-05-08 | 公開日 | 2008-05-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of Spa40, the Specificity Switch for the Shigella Flexneri Type III Secretion System Mol.Microbiol., 69, 2008
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1SXY
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![BU of 1sxy by Molmil](/molmil-images/mine/1sxy) | 1.07 A Crystal Structure of D30N Mutant of Nitrophorin 4 from Rhodnius Prolixus | 分子名称: | AMMONIUM ION, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Maes, E.M, Weichsel, A, Andersen, J.F, Shepley, D, Montfort, W.R. | 登録日 | 2004-03-31 | 公開日 | 2004-06-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4 Biochemistry, 43, 2004
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2VVU
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![BU of 2vvu by Molmil](/molmil-images/mine/2vvu) | Aminopyrrolidine Factor Xa inhibitor | 分子名称: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | 登録日 | 2008-06-11 | 公開日 | 2009-07-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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1PZR
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![BU of 1pzr by Molmil](/molmil-images/mine/1pzr) | Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS2 and DEBS3: the B domain | 分子名称: | Erythronolide synthase | 著者 | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | 登録日 | 2003-07-14 | 公開日 | 2004-02-24 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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2W8G
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![BU of 2w8g by Molmil](/molmil-images/mine/2w8g) | Aplysia californica AChBP bound to in silico compound 35 | 分子名称: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | 著者 | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | 登録日 | 2009-01-16 | 公開日 | 2009-04-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis. J.Med.Chem., 52, 2009
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5OLF
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2WB6
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![BU of 2wb6 by Molmil](/molmil-images/mine/2wb6) | Crystal structure of AFV1-102, a protein from the Acidianus Filamentous Virus 1 | 分子名称: | AFV1-102, CHLORIDE ION | 著者 | Keller, J, Leulliot, N, Collinet, B, Campanacci, V, Cambillau, C, Pranghisvilli, D, van Tilbeurgh, H. | 登録日 | 2009-02-22 | 公開日 | 2009-03-03 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of Afv1-102, a Protein from the Acidianus Filamentous Virus 1. Protein Sci., 18, 2009
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1PQK
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![BU of 1pqk by Molmil](/molmil-images/mine/1pqk) | Repacking of the Core of T4 Lysozyme by Automated Design | 分子名称: | Lysozyme | 著者 | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | 登録日 | 2003-06-18 | 公開日 | 2003-10-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Repacking the Core of T4 Lysozyme by Automated Design J.Mol.Biol., 332, 2003
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2WBC
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![BU of 2wbc by Molmil](/molmil-images/mine/2wbc) | REFINED CRYSTAL STRUCTURE (2.3 ANGSTROM) OF A WINGED BEAN CHYMOTRYPSIN INHIBITOR AND LOCATION OF ITS SECOND REACTIVE SITE | 分子名称: | CHYMOTRYPSIN INHIBITOR | 著者 | Dattagupta, J.K, Podder, A, Chakrabarti, C, Sen, U, Mukhopadhyay, D, Dutta, S.K, Singh, M. | 登録日 | 1997-11-26 | 公開日 | 1998-02-25 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Refined crystal structure (2.3 A) of a double-headed winged bean alpha-chymotrypsin inhibitor and location of its second reactive site. Proteins, 35, 1999
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2WEZ
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![BU of 2wez by Molmil](/molmil-images/mine/2wez) | Human BACE-1 in complex with 1-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-4-(2-oxo-1- pyrrolidinyl)-1H-indole-6-carboxamide | 分子名称: | BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE | 著者 | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | 登録日 | 2009-04-02 | 公開日 | 2009-05-19 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics. Bioorg.Med.Chem.Lett., 19, 2009
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1T3K
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![BU of 1t3k by Molmil](/molmil-images/mine/1t3k) | NMR structure of a CDC25-like dual-specificity tyrosine phosphatase of Arabidopsis thaliana | 分子名称: | Dual-specificity tyrosine phosphatase, ZINC ION | 著者 | Landrieu, I, da Costa, M, De Veylder, L, Dewitte, F, Vandepoele, K, Hassan, S, Wieruszeski, J.M, Faure, J.D, Inze, D, Lippens, G. | 登録日 | 2004-04-27 | 公開日 | 2004-09-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | A small CDC25 dual-specificity tyrosine-phosphatase isoform in Arabidopsis thaliana. Proc.Natl.Acad.Sci.Usa, 101, 2004
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2WGU
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![BU of 2wgu by Molmil](/molmil-images/mine/2wgu) | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N- methoxycarbonyl -3,5-dideoxy- D-glycero-a-D-galacto-2-nonulopyranosylonic acid | 分子名称: | 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | 著者 | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | 登録日 | 2009-04-27 | 公開日 | 2009-11-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis. J.Med.Chem., 52, 2009
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2WWH
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![BU of 2wwh by Molmil](/molmil-images/mine/2wwh) | Plasmodium falciparum thymidylate kinase in complex with AP5dT | 分子名称: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SODIUM ION, THYMIDILATE KINASE, ... | 著者 | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | 登録日 | 2009-10-23 | 公開日 | 2010-04-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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1T3C
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![BU of 1t3c by Molmil](/molmil-images/mine/1t3c) | Clostridium botulinum type E catalytic domain E212Q mutant | 分子名称: | CHLORIDE ION, ZINC ION, neurotoxin type E | 著者 | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | 登録日 | 2004-04-26 | 公開日 | 2004-06-29 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway Biochemistry, 43, 2004
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1PZQ
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![BU of 1pzq by Molmil](/molmil-images/mine/1pzq) | Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS 2 and DEBS 3: The A domain | 分子名称: | Erythronolide synthase | 著者 | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | 登録日 | 2003-07-14 | 公開日 | 2004-02-24 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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1T5D
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5S4H
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![BU of 5s4h by Molmil](/molmil-images/mine/5s4h) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048 | 分子名称: | 1-carbamoylpiperidine-4-carboxylic acid, Non-structural protein 3 | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | 登録日 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.175 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4F
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![BU of 5s4f by Molmil](/molmil-images/mine/5s4f) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003 | 分子名称: | 1,8-naphthyridine, Non-structural protein 3, SULFATE ION | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | 登録日 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.131 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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1PO9
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![BU of 1po9 by Molmil](/molmil-images/mine/1po9) | Crytsal structure of isoaspartyl dipeptidase | 分子名称: | Isoaspartyl dipeptidase, ZINC ION | 著者 | Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K. | 登録日 | 2003-06-15 | 公開日 | 2004-06-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases. J.Mol.Biol., 332, 2003
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1PP9
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![BU of 1pp9 by Molmil](/molmil-images/mine/1pp9) | Bovine cytochrome bc1 complex with stigmatellin bound | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | 著者 | Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A. | 登録日 | 2003-06-16 | 公開日 | 2004-07-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern. J.Mol.Biol., 351, 2005
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