1R0I
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![BU of 1r0i by Molmil](/molmil-images/mine/1r0i) | cadmium-substituted rubredoxin | Descriptor: | CADMIUM ION, Rubredoxin | Authors: | Maher, M, Cross, M, Wilce, M.C.J, Guss, J.M, Wedd, A.G. | Deposit date: | 2003-09-22 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Metal-substituted derivatives of the rubredoxin from Clostridium pasteurianum. Acta Crystallogr.,Sect.D, 60, 2004
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3BIB
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![BU of 3bib by Molmil](/molmil-images/mine/3bib) | Tim-4 in complex with phosphatidylserine | Descriptor: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4 | Authors: | Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M. | Deposit date: | 2007-11-30 | Release date: | 2008-01-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds. Immunity, 27, 2007
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4YRD
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![BU of 4yrd by Molmil](/molmil-images/mine/4yrd) | Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone | Descriptor: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, Capsular polysaccharide synthesis enzyme Cap5F, ZINC ION | Authors: | Nakano, K, Chigira, T, Miyafusa, T, Nagatoishi, S, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2015-03-15 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus. Sci Rep, 5, 2015
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1R0J
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![BU of 1r0j by Molmil](/molmil-images/mine/1r0j) | nickel-substituted rubredoxin | Descriptor: | NICKEL (II) ION, Rubredoxin | Authors: | Maher, M, Cross, M, Wilce, M.C.J, Guss, J.M, Wedd, A.G. | Deposit date: | 2003-09-22 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal-substituted derivatives of the rubredoxin from Clostridium pasteurianum. Acta Crystallogr.,Sect.D, 60, 2004
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3BIL
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![BU of 3bil by Molmil](/molmil-images/mine/3bil) | Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum | Descriptor: | Probable LacI-family transcriptional regulator | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-11-30 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum. To be Published
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3NFU
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![BU of 3nfu by Molmil](/molmil-images/mine/3nfu) | Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043 complexed with magnesium | Descriptor: | GLYCEROL, Glucarate dehydratase, MAGNESIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Gerlt, J.A, Almo, S.C, Burley, S.K, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-06-10 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal Structure of Glucarate Dehydratase from Chromohalobacter Salexigens To be Published
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3R7Q
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![BU of 3r7q by Molmil](/molmil-images/mine/3r7q) | Structure-based design of thienobenzoxepin inhibitors of PI3- kinase | Descriptor: | N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
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1ON8
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![BU of 1on8 by Molmil](/molmil-images/mine/1on8) | Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) with UDP and GlcUAb(1-3)Galb(1-O)-naphthalenelmethanol an acceptor substrate analog | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ... | Authors: | Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M. | Deposit date: | 2003-02-27 | Release date: | 2003-04-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis J.Biol.Chem., 278, 2003
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1QAK
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![BU of 1qak by Molmil](/molmil-images/mine/1qak) | THE ACTIVE SITE BASE CONTROLS COFACTOR REACTIVITY IN ESCHERICHIA COLI AMINE OXIDASE : X-RAY CRYSTALLOGRAPHIC STUDIES WITH MUTATIONAL VARIANTS | Descriptor: | CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE | Authors: | Murray, J.M, Wilmot, C.M, Saysell, C.G, Jaeger, J, Knowles, P.F, Phillips, S.E, McPherson, M.J. | Deposit date: | 1999-03-15 | Release date: | 1999-08-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The active site base controls cofactor reactivity in Escherichia coli amine oxidase: x-ray crystallographic studies with mutational variants. Biochemistry, 38, 1999
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1OT7
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![BU of 1ot7 by Molmil](/molmil-images/mine/1ot7) | Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR | Descriptor: | 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile Acid Receptor, ISO-URSODEOXYCHOLIC ACID, ... | Authors: | Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2003-03-21 | Release date: | 2004-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR Mol.Cell, 11, 2003
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3N2C
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![BU of 3n2c by Molmil](/molmil-images/mine/3n2c) | Crystal structure of prolidase eah89906 complexed with n-methylphosphonate-l-proline | Descriptor: | 1-[(R)-hydroxy(methyl)phosphoryl]-L-proline, PROLIDASE, ZINC ION | Authors: | Patskovsky, Y, Xu, C, Sauder, J.M, Burley, S.K, Raushel, F.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-05-17 | Release date: | 2010-06-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily . Biochemistry, 49, 2010
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3N1G
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![BU of 3n1g by Molmil](/molmil-images/mine/3n1g) | Crystal structure of DhhN bound to BOCFn3 | Descriptor: | Brother of CDO, CALCIUM ION, Desert hedgehog protein, ... | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-15 | Release date: | 2010-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner. J.Biol.Chem., 285, 2010
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3RDB
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![BU of 3rdb by Molmil](/molmil-images/mine/3rdb) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-04-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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2GJS
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![BU of 2gjs by Molmil](/molmil-images/mine/2gjs) | The crystal structure of human RRAD in complex with GDP | Descriptor: | GTP-binding protein RAD, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Turnbull, A.P, Yang, X, Soundararajan, M, Schoch, G, Debreczeni, J, Elkins, J.M, Gileadi, C, Berridge, G, Pantic, N, Burgess, N, Smee, C.E.A, Bray, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-31 | Release date: | 2006-04-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human RRAD in complex with GDP To be Published
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3GRZ
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![BU of 3grz by Molmil](/molmil-images/mine/3grz) | CRYSTAL STRUCTURE OF ribosomal protein L11 methylase FROM Lactobacillus delbrueckii subsp. bulgaricus | Descriptor: | GLYCEROL, Ribosomal protein L11 methyltransferase | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Morano, C, Freeman, J, Chang, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-03-26 | Release date: | 2009-04-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN 11 METHYLASE FROM Lactobacillus delbrueckii subsp. bulgaricus To be Published
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3BGH
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![BU of 3bgh by Molmil](/molmil-images/mine/3bgh) | Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori | Descriptor: | Putative neuraminyllactose-binding hemagglutinin homolog, SULFATE ION | Authors: | Bonanno, J.B, Dickey, J, Bain, K.T, McKenzie, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-11-26 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori. To be Published
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3N4F
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![BU of 3n4f by Molmil](/molmil-images/mine/3n4f) | CRYSTAL STRUCTURE OF Mandelate racemase/muconate lactonizing protein from Geobacillus sp. Y412MC10 | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-05-21 | Release date: | 2010-06-09 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | CRYSTAL STRUCTURE OF Mandelate racemase/muconate lactonizing protein from Geobacillus
sp. Y412MC10 To be Published
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3GWX
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![BU of 3gwx by Molmil](/molmil-images/mine/3gwx) | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-04-26 | Release date: | 2000-04-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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1OSF
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![BU of 1osf by Molmil](/molmil-images/mine/1osf) | Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN, ACETIC ACID, ... | Authors: | Jez, J.M, Chen, J.C.-H, Rastelli, G, Stroud, R.M, Santi, D.V. | Deposit date: | 2003-03-19 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure and Molecular Modeling of 17-DMAG in Complex with Human Hsp90 Chem.Biol., 10, 2003
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3BCR
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![BU of 3bcr by Molmil](/molmil-images/mine/3bcr) | Glycogen Phosphorylase b in complex with AZT | Descriptor: | 3'-azido-3'-deoxythymidine, Glycogen phosphorylase, muscle form | Authors: | Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G. | Deposit date: | 2007-11-13 | Release date: | 2008-11-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b To be Published
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3RMR
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![BU of 3rmr by Molmil](/molmil-images/mine/3rmr) | |
1SX1
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![BU of 1sx1 by Molmil](/molmil-images/mine/1sx1) | Solution NMR Structure and X-ray Absorption Analysis of the C-Terminal Zinc-Binding Domain of the SecA ATPase | Descriptor: | SecA, ZINC ION | Authors: | Dempsey, B.R, Wrona, M, Moulin, J.M, Gloor, G.B, Jalilehvand, F, Lajoie, G, Shaw, G.S, Shilton, B.H. | Deposit date: | 2004-03-30 | Release date: | 2004-07-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure and X-ray Absorption Analysis of the C-Terminal Zinc-Binding Domain of the SecA ATPase. Biochemistry, 43, 2004
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1OV8
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![BU of 1ov8 by Molmil](/molmil-images/mine/1ov8) | Auracyanin B structure in space group, P65 | Descriptor: | Auracyanin B, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Lee, M, Maher, M.J, Freeman, H.C, Guss, J.M. | Deposit date: | 2003-03-25 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Auracyanin B structure in space group P6(5). Acta Crystallogr.,Sect.D, 59, 2003
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4D11
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![BU of 4d11 by Molmil](/molmil-images/mine/4d11) | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset) | Descriptor: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-05-01 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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1OW7
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![BU of 1ow7 by Molmil](/molmil-images/mine/1ow7) | Paxillin LD4 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase | Descriptor: | Focal adhesion kinase 1, Paxillin | Authors: | Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T. | Deposit date: | 2003-03-28 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Recognition of Paxillin LD Motifs
by the Focal Adhesion Targeting Domain Structure, 11, 2003
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