3DAX
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![BU of 3dax by Molmil](/molmil-images/mine/3dax) | Crystal structure of human CYP7A1 | Descriptor: | Cytochrome P450 7A1, PROTOPORPHYRIN IX CONTAINING FE, UNKNOWN ATOM OR ION | Authors: | Strushkevich, N.V, Tempel, W, Dombrovski, L, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-30 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human CYP7A1 To be Published
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3DJH
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![BU of 3djh by Molmil](/molmil-images/mine/3djh) | |
4S3H
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![BU of 4s3h by Molmil](/molmil-images/mine/4s3h) | Crystal structure of S. pombe Mdb1 FHA domain | Descriptor: | Mdb1, SULFATE ION | Authors: | Luo, S, Ye, K. | Deposit date: | 2015-01-26 | Release date: | 2015-07-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Dimerization Mediated by a Divergent Forkhead-associated Domain Is Essential for the DNA Damage and Spindle Functions of Fission Yeast Mdb1. J.Biol.Chem., 290, 2015
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3DOJ
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![BU of 3doj by Molmil](/molmil-images/mine/3doj) | Structure of Glyoxylate reductase 1 from Arabidopsis (AtGLYR1) | Descriptor: | CHLORIDE ION, Dehydrogenase-like protein | Authors: | Jorgensen, R. | Deposit date: | 2008-07-04 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Cytosolic NADPH-dependent Glyoxylate Reductase from Arabidopsis: Crystal Structure and Kinetic Characterization of Active Site Mutants To be Published
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3DOW
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3DFA
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![BU of 3dfa by Molmil](/molmil-images/mine/3dfa) | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum | Descriptor: | Calcium-dependent protein kinase cgd3_920 | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Khuu, C, Alam, Z, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-11 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum. To be Published
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3DGZ
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![BU of 3dgz by Molmil](/molmil-images/mine/3dgz) | Crystal Structure of Mouse Mitochondrial Thioredoxin Reductase, C-terminal 3-residue truncation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 2, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Authors: | Eckenroth, B.E, Hondal, R.J, Everse, S.J. | Deposit date: | 2008-06-16 | Release date: | 2009-06-16 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of Mouse Mitochondrial Thioredoxin Reductase, C-terminal 3-residue truncation To be Published
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4RNC
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![BU of 4rnc by Molmil](/molmil-images/mine/4rnc) | Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013 | Descriptor: | Esterase, PHOSPHATE ION | Authors: | Dou, S, Kong, X.D, Xu, J.H, Zhou, J. | Deposit date: | 2014-10-23 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate channel evolution of an esterase for the synthesis of Cilastatin CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
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3DQG
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![BU of 3dqg by Molmil](/molmil-images/mine/3dqg) | Peptide-binding domain of heat shock 70 kDa protein F, mitochondrial precursor, from Caenorhabditis elegans. | Descriptor: | Heat shock 70 kDa protein F | Authors: | Osipiuk, J, Mulligan, R, Gu, M, Voisine, C, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-07-09 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | X-ray crystal structure of peptide-binding domain of heat shock 70 kDa protein F, mitochondrial precursor, from Caenorhabditis elegans. To be Published
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3DQY
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![BU of 3dqy by Molmil](/molmil-images/mine/3dqy) | Crystal structure of Toluene 2,3-Dioxygenase Ferredoxin | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Toluene 1,2-dioxygenase system ferredoxin subunit | Authors: | Friemann, R, Lee, K, Brown, E.N, Gibson, D.T, Eklund, H, Ramaswamy, S. | Deposit date: | 2008-07-10 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of the multicomponent Rieske non-heme iron toluene 2,3-dioxygenase enzyme system Acta Crystallogr.,Sect.D, 65, 2009
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4RNQ
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![BU of 4rnq by Molmil](/molmil-images/mine/4rnq) | Crystal structure of tobacco 5-epi-aristolochene synthase (TEAS) with anilinogeranyl diphosphate (AGPP) and geraniline | Descriptor: | (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate, 5-epi-aristolochene synthase, ACETATE ION, ... | Authors: | Koo, H.J, Crenshaw, C.M, Starks, C, Spielmann, H.P, Chappell, J, Noel, J.P. | Deposit date: | 2014-10-24 | Release date: | 2015-05-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Formation of a Novel Macrocyclic Alkaloid from the Unnatural Farnesyl Diphosphate Analogue Anilinogeranyl Diphosphate by 5-Epi-Aristolochene Synthase. Acs Chem.Biol., 10, 2015
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3DE7
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![BU of 3de7 by Molmil](/molmil-images/mine/3de7) | |
5RSO
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![BU of 5rso by Molmil](/molmil-images/mine/5rso) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226 | Descriptor: | Non-structural protein 3, PARA ACETAMIDO BENZOIC ACID | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | 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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5RS9
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![BU of 5rs9 by Molmil](/molmil-images/mine/5rs9) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250 | Descriptor: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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3DFH
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![BU of 3dfh by Molmil](/molmil-images/mine/3dfh) | crystal structure of putative mandelate racemase / muconate lactonizing enzyme from Vibrionales bacterium SWAT-3 | Descriptor: | SODIUM ION, mandelate racemase | Authors: | Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-12 | Release date: | 2008-07-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | crystal structure of putative mandelate racemase / muconate lactonizing enzyme from Vibrionales bacterium SWAT-3 To be Published
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5RT7
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![BU of 5rt7 by Molmil](/molmil-images/mine/5rt7) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276 | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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3DKK
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![BU of 3dkk by Molmil](/molmil-images/mine/3dkk) | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Nachon, F, Carletti, E. | Deposit date: | 2008-06-25 | Release date: | 2008-12-02 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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5RTO
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![BU of 5rto by Molmil](/molmil-images/mine/5rto) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302 | Descriptor: | 4-PIPERIDINO-PIPERIDINE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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5RSP
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![BU of 5rsp by Molmil](/molmil-images/mine/5rsp) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357 | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | 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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3DG1
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![BU of 3dg1 by Molmil](/molmil-images/mine/3dg1) | Segment SSTNVG derived from IAPP | Descriptor: | SSTNVG from Islet Amyloid Polypeptide | Authors: | Wiltzius, J.J, Sievers, S.A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2008-06-12 | Release date: | 2008-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Atomic structure of the cross-beta spine of islet amyloid polypeptide (amylin). Protein Sci., 17, 2008
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5RU6
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![BU of 5ru6 by Molmil](/molmil-images/mine/5ru6) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764 | Descriptor: | Non-structural protein 3, naphthalene-2-carboximidamide | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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5RT4
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![BU of 5rt4 by Molmil](/molmil-images/mine/5rt4) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000051581 | Descriptor: | 3-(1H-benzimidazol-2-yl)propanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | 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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4RSG
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![BU of 4rsg by Molmil](/molmil-images/mine/4rsg) | Neutron crystal structure of Ras bound to the GTP analogue GppNHp | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Knihtila, R.R, Holzapfel, G, Weiss, K.L, Meilleur, F, Mattos, C. | Deposit date: | 2014-11-07 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (1.907 Å) | Cite: | Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP gamma-Phosphate. J.Biol.Chem., 290, 2015
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5RUO
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![BU of 5ruo by Molmil](/molmil-images/mine/5ruo) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100 | Descriptor: | 4-chloro-1H-indole-2-carboxylic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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5RTJ
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![BU of 5rtj by Molmil](/molmil-images/mine/5rtj) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752 | Descriptor: | Non-structural protein 3, P-HYDROXYBENZOIC ACID | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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