1X6U
 
 | | KDO8P synthase in it's binary complex with the product KDO8P | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid | | Authors: | Vainer, R, Belakhov, V, Rabkin, E, Baasov, T, Adir, N. | | Deposit date: | 2004-08-12 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Escherichia coli KDO8P Synthase Complexes Reveal the Source of Catalytic Irreversibility
J.Mol.Biol., 351, 2005
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1X6V
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1X6W
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1X6X
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1X6Y
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1X6Z
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1X70
 | | HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR | | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K. | | Deposit date: | 2004-08-12 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
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1X71
 | | Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with TRENCAM-3,2-HOPO, a cepabactin analogue | | Descriptor: | 2,3-DIHYDROXYBENZAMIDE, FE (III) ION, Neutrophil gelatinase-associated lipocalin | | Authors: | Holmes, M.A, Paulsene, W, Jide, X, Ratledge, C, Strong, R.K. | | Deposit date: | 2004-08-12 | | Release date: | 2005-01-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Siderocalin (Lcn 2) Also Binds Carboxymycobactins, Potentially Defending against Mycobacterial Infections through Iron Sequestration
Structure, 13, 2005
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1X74
 | | Alpha-methylacyl-CoA racemase from Mycobacterium tuberculosis- mutational and structural characterization of the fold and active site | | Descriptor: | 2-methylacyl-CoA racemase, GLYCEROL, PHOSPHATE ION | | Authors: | Kalle, S, Bhaumik, P, Schmitz, W, Kotti, T.J, Conzelmann, E, Wierenga, R.K, Hiltunen, J.K. | | Deposit date: | 2004-08-13 | | Release date: | 2005-01-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | {alpha}-Methylacyl-CoA Racemase from Mycobacterium tuberculosis: MUTATIONAL AND STRUCTURAL CHARACTERIZATION OF THE ACTIVE SITE AND THE FOLD
J.Biol.Chem., 280, 2005
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1X75
 | | CcdB:GyrA14 complex | | Descriptor: | Cytotoxic protein ccdB, DNA gyrase subunit A | | Authors: | Dao-Thi, M.H, Van Melderen, L, De Genst, E, Wyns, L, Loris, R. | | Deposit date: | 2004-08-13 | | Release date: | 2005-05-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular Basis of Gyrase Poisoning by the Addiction Toxin CcdB
J.Mol.Biol., 348, 2005
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1X76
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-697 | | Descriptor: | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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1X77
 | | Crystal structure of a NAD(P)H-dependent FMN reductase complexed with FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, conserved hypothetical protein | | Authors: | Agarwal, R, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2004-08-13 | | Release date: | 2004-08-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure determination of an FMN reductase from Pseudomonas aeruginosa PA01 using sulfur anomalous signal.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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1X78
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-244 | | Descriptor: | Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1, [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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1X79
 | | Crystal structure of human GGA1 GAT domain complexed with the GAT-binding domain of Rabaptin5 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADP-ribosylation factor binding protein GGA1, Rab GTPase binding effector protein 1, ... | | Authors: | Zhu, G, Zhang, X.C. | | Deposit date: | 2004-08-13 | | Release date: | 2004-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structure of human GGA1 GAT domain complexed with the GAT-binding domain of Rabaptin5.
EMBO J., 23, 2004
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1X7A
 | | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | | Descriptor: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | | Authors: | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | | Deposit date: | 2004-08-13 | | Release date: | 2005-08-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
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1X7B
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041 | | Descriptor: | 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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1X7D
 | | Crystal Structure Analysis of Ornithine Cyclodeaminase Complexed with NAD and ornithine to 1.6 Angstroms | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-ornithine, ... | | Authors: | Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E. | | Deposit date: | 2004-08-13 | | Release date: | 2004-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for
the u-Crystallin Family
Biochemistry, 43, 2004
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1X7E
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH WAY-244 | | Descriptor: | Estrogen receptor 1 (alpha), [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE, steroid receptor coactivator-3 | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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1X7F
 | | Crystal structure of an uncharacterized B. cereus protein | | Descriptor: | outer surface protein | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Collart, F.R, Anderson, W.F, MCSG, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-13 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an uncharacterized B. cereus protein
To be Published
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1X7G
 | | Actinorhodin Polyketide Ketoreductase, act KR, with NADP bound | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | | Deposit date: | 2004-08-13 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity
Biochemistry, 43, 2004
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1X7H
 | | Actinorhodin Polyketide Ketoreductase, with NADPH bound | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | | Deposit date: | 2004-08-13 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity
Biochemistry, 43, 2004
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1X7I
 | | Crystal structure of the native copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301 | | Descriptor: | CALCIUM ION, Copper homeostasis protein cutC | | Authors: | Zhu, D.Y, Zhu, Y.Q, Huang, R.H, Xiang, Y, Wang, D.C. | | Deposit date: | 2004-08-14 | | Release date: | 2005-03-01 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: The first structure of a new sequence family of TIM barrels
Proteins, 58, 2004
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1X7J
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN | | Descriptor: | Estrogen receptor beta, GENISTEIN, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S. | | Deposit date: | 2004-08-14 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods
Structure, 12, 2004
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1X7K
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1X7N
 | | The crystal structure of Pyrococcus furiosus phosphoglucose isomerase with bound 5-phospho-D-arabinonate and Manganese | | Descriptor: | 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, MANGANESE (II) ION | | Authors: | Berrisford, J.M, Akerboom, J, Brouns, S, Sedelnikova, S.E, Turnbull, A.P, van der Oost, J, Salmon, L, Hardre, R, Murray, I.A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2004-08-16 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004
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