2GZV
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![BU of 2gzv by Molmil](/molmil-images/mine/2gzv) | The cystal structure of the PDZ domain of human PICK1 | Descriptor: | PRKCA-binding protein | Authors: | Debreczeni, J.E, Elkins, J.M, Yang, X, Berridge, G, Bray, J, Colebrook, S, Smee, C, Savitsky, P, Gileadi, O, Turnbull, A, von Delft, F, Doyle, D.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-12 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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1OSV
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![BU of 1osv by Molmil](/molmil-images/mine/1osv) | STRUCTURAL BASIS FOR BILE ACID BINDING AND ACTIVATION OF THE NUCLEAR RECEPTOR FXR | Descriptor: | 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile acid receptor, Nuclear receptor coactivator 2 | Authors: | Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2003-03-20 | Release date: | 2004-03-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR Mol.Cell, 11, 2003
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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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3RDA
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![BU of 3rda by Molmil](/molmil-images/mine/3rda) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | 3-methyl-1,2-oxazol-5-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 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 (1.07 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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2H48
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![BU of 2h48 by Molmil](/molmil-images/mine/2h48) | Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) | Descriptor: | Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide | Authors: | Scheer, J.M, Wells, J.A, Romanowski, M.J. | Deposit date: | 2006-05-23 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A common allosteric site and mechanism in caspases Proc.Natl.Acad.Sci.USA, 103, 2006
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4DQY
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![BU of 4dqy by Molmil](/molmil-images/mine/4dqy) | |
1RKY
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![BU of 1rky by Molmil](/molmil-images/mine/1rky) | PPLO + Xe | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Guss, J.M, Duff, A.P. | Deposit date: | 2003-11-24 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Using Xenon as a Probe for Dioxygen-binding Sites in Copper Amine Oxidases J.Mol.Biol., 344, 2004
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3DHU
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![BU of 3dhu by Molmil](/molmil-images/mine/3dhu) | Crystal structure of an alpha-amylase from Lactobacillus plantarum | Descriptor: | Alpha-amylase | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Iizuka, 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: | 2008-06-18 | Release date: | 2008-08-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an alpha-amylase from Lactobacillus plantarum To be Published
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2H54
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3GAM
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![BU of 3gam by Molmil](/molmil-images/mine/3gam) | Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity | Descriptor: | 5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Sturdy, M, Pegan, S.D, Maiti, A, Marler, L, Mesecar, A.D, Pezzuto, J.M, Cushman, M. | Deposit date: | 2009-02-17 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J.Med.Chem., 52, 2009
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2H72
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3DLS
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![BU of 3dls by Molmil](/molmil-images/mine/3dls) | Crystal structure of human PAS kinase bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PAS domain-containing serine/threonine-protein kinase | Authors: | Antonysamy, S, Bonanno, J.B, Romero, R, Russell, M, Iizuka, M, Gheyi, T, Wasserman, S.R, Rutter, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-29 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural bases of PAS domain-regulated kinase (PASK) activation in the absence of activation loop phosphorylation. J.Biol.Chem., 285, 2010
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1P4Z
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1RQY
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![BU of 1rqy by Molmil](/molmil-images/mine/1rqy) | 9-amino-[N-(2-dimethylamino)proply]-acridine-4-carboxamide bound to d(CGTACG)2 | Descriptor: | 5'-D(CP*GP*TP*AP*CP*G)-3', 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, ... | Authors: | Adams, A, Guss, J.M, Denny, W.A, Wakelin, L.P. | Deposit date: | 2003-12-07 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of 9-amino-[N-(2-dimethylamino)propyl]acridine-4-carboxamide bound to d(CGTACG)(2): a comparison of structures of d(CGTACG)(2) complexed with intercalatorsin the presence of cobalt. Acta Crystallogr.,Sect.D, 60, 2004
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1RRY
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![BU of 1rry by Molmil](/molmil-images/mine/1rry) | DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine | Descriptor: | 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1P33
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![BU of 1p33 by Molmil](/molmil-images/mine/1p33) | Pteridine reductase from Leishmania tarentolae complex with NADPH and MTX | Descriptor: | METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 | Authors: | Zhao, H, Bray, T, Ouellette, M, Zhao, M, Ferre, R.A, Matthews, D, Whiteley, J.M, Varughese, K.I. | Deposit date: | 2003-04-16 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure of pteridine reductase (PTR1) from Leishmania tarentolae. Acta Crystallogr.,Sect.D, 59, 2003
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3GD7
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![BU of 3gd7 by Molmil](/molmil-images/mine/3gd7) | Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) | Descriptor: | Fusion complex of Cystic fibrosis transmembrane conductance regulator, residues 1193-1427 and Maltose/maltodextrin import ATP-binding protein malK, residues 219-371, ... | Authors: | Atwell, S, Antonysamy, S, Conners, K, Emtage, S, Gheyi, T, Lewis, H.A, Lu, F, Sauder, J.M, Wasserman, S.R, Zhao, X. | Deposit date: | 2009-02-23 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) To be Published
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3DOU
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![BU of 3dou by Molmil](/molmil-images/mine/3dou) | Crystal structure of methyltransferase involved in cell division from thermoplasma volcanicum gss1 | Descriptor: | Ribosomal RNA large subunit methyltransferase J, S-ADENOSYLMETHIONINE | Authors: | Patskovsky, Y, Ozyurt, S, Dickey, M, Hu, S, Bain, K, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-07-06 | Release date: | 2008-09-02 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Methyltransferase Involved in Cell Division from Thermoplasma Volcanicum To be Published
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3GG2
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![BU of 3gg2 by Molmil](/molmil-images/mine/3gg2) | Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate | Descriptor: | Sugar dehydrogenase, UDP-glucose/GDP-mannose dehydrogenase family, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-02-27 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate To be Published
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2GJ5
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![BU of 2gj5 by Molmil](/molmil-images/mine/2gj5) | Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Beta-lactoglobulin | Authors: | Yang, M.C, Guan, H.H, Liu, M.Y, Yang, J.M, Chen, W.L, Chen, C.J, Mao, S.J. | Deposit date: | 2006-03-30 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin. Proteins, 71, 2008
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3DUP
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![BU of 3dup by Molmil](/molmil-images/mine/3dup) | Crystal structure of mutt/nudix family hydrolase from rhodospirillum rubrum atcc 11170 | Descriptor: | GLYCEROL, MutT/nudix family protein, PHOSPHATE ION | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Freeman, J, Chang, S, Groshong, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-07-17 | Release date: | 2008-09-02 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Mutt/Nudix Family Hydrolase from Rhodospirillum Rubrum To be Published
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2GL0
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![BU of 2gl0 by Molmil](/molmil-images/mine/2gl0) | Structure of PAE2307 in complex with adenosine | Descriptor: | ADENOSINE, PHOSPHATE ION, conserved hypothetical protein | Authors: | Lott, J.S, Paget, B, Johnston, J.M, Baker, E.N. | Deposit date: | 2006-04-04 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Structure of an Ancient Conserved Domain Establishes a Structural Basis for Stable Histidine Phosphorylation and Identifies a New Family of Adenosine-specific Kinases. J.Biol.Chem., 281, 2006
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3G79
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![BU of 3g79 by Molmil](/molmil-images/mine/3g79) | Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1 | Descriptor: | NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase | 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: | 2009-02-09 | Release date: | 2009-02-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1 To be Published
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1RHT
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![BU of 1rht by Molmil](/molmil-images/mine/1rht) | 24-MER RNA HAIRPIN COAT PROTEIN BINDING SITE FOR BACTERIOPHAGE R17 (NMR, MINIMIZED AVERAGE STRUCTURE) | Descriptor: | RNA (5'-R(P*GP*GP*GP*AP*CP*UP*GP*AP*CP*GP*AP*UP*CP*AP*CP*GP*CP*AP*GP*UP*CP*UP*AP*U)-3') | Authors: | Borer, P.N, Lin, Y, Wang, S, Roggenbuck, M.W, Gott, J.M, Uhlenbeck, O.C, Pelczer, I. | Deposit date: | 1995-03-03 | Release date: | 1995-06-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Proton NMR and structural features of a 24-nucleotide RNA hairpin. Biochemistry, 34, 1995
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4DFY
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![BU of 4dfy by Molmil](/molmil-images/mine/4dfy) | |