4FBG
 
 | | Crystal structure of Treponema denticola trans-2-enoyl-CoA reductase in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase TDE_0597 | | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | | Deposit date: | 2012-05-23 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
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3GMJ
 | | Crystal structure of MAD MH2 domain | | Descriptor: | Protein mothers against dpp | | Authors: | Wu, J.W, Wang, C. | | Deposit date: | 2009-03-14 | | Release date: | 2009-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the MH2 domain of Drosophila Mad
SCI.CHINA, SER.C: LIFE SCI., 52, 2009
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3GNK
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3PRU
 | | Crystal Structure of Phycobilisome 32.1 kDa linker polypeptide, phycocyanin-associated, rod 1 (fragment 14-158) from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR182A | | Descriptor: | CHLORIDE ION, Phycobilisome 32.1 kDa linker polypeptide, phycocyanin-associated, ... | | Authors: | Kuzin, A, Su, M, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-11-30 | | Release date: | 2010-12-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.677 Å) | | Cite: | Northeast Structural Genomics Consortium Target SgR182A
To be Published
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3MV3
 | | Crystal Structure of a-COP in Complex with e-COP | | Descriptor: | Coatomer subunit alpha, Coatomer subunit epsilon | | Authors: | Hoelz, A, Hsia, K.C. | | Deposit date: | 2010-05-03 | | Release date: | 2010-06-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of alpha-COP in complex with epsilon-COP provides insight into the architecture of the COPI vesicular coat.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3MTK
 | | X-Ray Structure of Diguanylate cyclase/phosphodiesterase from Caldicellulosiruptor saccharolyticus, Northeast Structural Genomics Consortium Target ClR27C | | Descriptor: | Diguanylate cyclase/phosphodiesterase | | Authors: | Kuzin, A, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-02 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Northeast Structural Genomics Consortium Target ClR27C
To be Published
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3GV7
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3GM0
 | | Anti-methamphetamine single chain Fv in complex with MDMA | | Descriptor: | (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine, anti-methamphetamine single chain Fv | | Authors: | Celikel, R, Peterson, E.C, Owens, M, Varughese, K.I. | | Deposit date: | 2009-03-12 | | Release date: | 2009-10-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of a therapeutic single chain antibody in complex with two drugs of abuse-Methamphetamine and 3,4-methylenedioxymethamphetamine.
Protein Sci., 18, 2009
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3MW1
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | Descriptor: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | | Authors: | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2010-05-05 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
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3GRL
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3E3T
 | | Structure of porcine pancreatic elastase with the magic triangle I3C | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... | | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-10-28 | | Last modified: | 2012-04-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
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3E45
 | | Q138F HincII bound to Noncognate DNA (GTGCAC) and Ca2+ | | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DGP*DCP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ... | | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-08-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | DNA distortion and specificity in a sequence-specific endonuclease.
J.Mol.Biol., 383, 2008
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3E7I
 | | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | | Descriptor: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E7T
 | | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | | Descriptor: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6L
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3N37
 | | Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase 2 subunit beta | | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | | Deposit date: | 2010-05-19 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for activation of class Ib ribonucleotide reductase.
Science, 329, 2010
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3EDF
 | | Structural base for cyclodextrin hydrolysis | | Descriptor: | CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), Cyclomaltodextrinase, ... | | Authors: | Buedenbender, S, Schulz, G.E. | | Deposit date: | 2008-09-03 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural base for enzymatic cyclodextrin hydrolysis
J.Mol.Biol., 385, 2009
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3EHM
 | | Structure of BT1043 | | Descriptor: | 1,2-ETHANEDIOL, SusD homolog | | Authors: | Koropatkin, N.M, Smith, T.J. | | Deposit date: | 2008-09-13 | | Release date: | 2009-05-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a SusD homologue, BT1043, involved in mucin O-glycan utilization in a prominent human gut symbiont.
Biochemistry, 48, 2009
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4F6A
 | | High-resolution x-ray Structure of the tetramutant of BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182 | | Descriptor: | BH1408 protein, UNKNOWN LIGAND | | Authors: | Kuzin, A, Neely, H, Odukwe, N, Seetharaman, J, Patel, P, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-05-14 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Northeast Structural Genomics Consortium Target BhR182
To be Published
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4FOI
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3E67
 | | Murine inos dimer with inhibitor 4-MAP bound | | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6T
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E7F
 | | Crystal structure of 6-phosphogluconolactonase from Trypanosoma brucei complexed with 6-phosphogluconic acid | | Descriptor: | 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconolactonase, ZINC ION | | Authors: | Poggi, L, Delarue, M, Duclert-Savatier, N, Stoven, V. | | Deposit date: | 2008-08-18 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation.
J.Mol.Biol., 388, 2009
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4F67
 | | Three dimensional structure of the double mutant of UPF0176 protein lpg2838 from Legionella pneumophila at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target LgR82 | | Descriptor: | UPF0176 protein lpg2838 | | Authors: | Kuzin, A, Neely, H, Street, L, Odukwe, N, Seetharaman, J, Mao, M, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-05-14 | | Release date: | 2012-05-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Three dimensional structure of the double mutant of UPF0176 protein lpg2838 from Legionella pneumophila at the resolution 1.8A, Northeast
Structural Genomics Consortium (NESG) Target LgR82
To be Published
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3E3S
 | | Structure of thaumatin with the magic triangle I3C | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, L(+)-TARTARIC ACID, POTASSIUM ION, ... | | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-10-28 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
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