1S5M
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![BU of 1s5m by Molmil](/molmil-images/mine/1s5m) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
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1SL3
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![BU of 1sl3 by Molmil](/molmil-images/mine/1sl3) | crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor | Descriptor: | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, Hirudin, thrombin | Authors: | Young, M.B, Barrow, J.C, Glass, K.L, Lundell, G.F, Newton, C.L, Pellicore, J.M, Rittle, K.E, Selnick, H.G, Stauffer, K.J, Vacca, J.P, Williams, P.D, Bohn, D, Clayton, F.C, Cook, J.J, Krueger, J.A, Kuo, L.C, Lewis, S.D, Lucas, B.J, McMasters, D.R, Miller-Stein, C, Pietrak, B.L. | Deposit date: | 2004-03-05 | Release date: | 2004-08-03 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors J.Med.Chem., 47, 2004
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1SP4
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![BU of 1sp4 by Molmil](/molmil-images/mine/1sp4) | Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft | Descriptor: | Cathepsin B, methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate | Authors: | Stern, I, Schaschke, N, Moroder, L, Turk, D. | Deposit date: | 2004-03-16 | Release date: | 2004-05-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft. Biochem.J., 381, 2004
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1SR6
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![BU of 1sr6 by Molmil](/molmil-images/mine/1sr6) | Structure of nucleotide-free scallop myosin S1 | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | Authors: | Risal, D, Gourinath, S, Himmel, D.M, Szent-Gyorgyi, A.G, Cohen, C. | Deposit date: | 2004-03-22 | Release date: | 2004-06-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Myosin subfragment 1 structures reveal a partially bound nucleotide and a complex salt bridge that helps couple nucleotide and actin binding. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1SM7
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![BU of 1sm7 by Molmil](/molmil-images/mine/1sm7) | Solution structure of the recombinant pronapin precursor, BnIb. | Descriptor: | recombinant Ib pronapin | Authors: | Pantoja-Uceda, D, Palomares, O, Bruix, M, Villalba, M, Rodriguez, R, Rico, M, Santoro, J. | Deposit date: | 2004-03-08 | Release date: | 2005-02-01 | Last modified: | 2013-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and stability against digestion of rproBnIb, a recombinant 2S albumin from rapeseed: relationship to its allergenic properties. Biochemistry, 43, 2004
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1S9P
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![BU of 1s9p by Molmil](/molmil-images/mine/1s9p) | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol | Descriptor: | DIETHYLSTILBESTROL, Estrogen-related receptor gamma | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | Deposit date: | 2004-02-05 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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1SCB
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![BU of 1scb by Molmil](/molmil-images/mine/1scb) | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | Descriptor: | ACETONITRILE, CALCIUM ION, SUBTILISIN CARLSBERG | Authors: | Fitzpatrick, P.A, Steinmetz, A.C.U, Ringe, D, Klibanov, A.M. | Deposit date: | 1993-07-13 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzyme crystal structure in a neat organic solvent. Proc.Natl.Acad.Sci.USA, 90, 1993
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1S2V
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![BU of 1s2v by Molmil](/molmil-images/mine/1s2v) | Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II) | Descriptor: | MAGNESIUM ION, Phosphoenolpyruvate phosphomutase | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | Deposit date: | 2004-01-11 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational Flexibility of PEP Mutase Biochemistry, 43, 2004
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1SFH
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![BU of 1sfh by Molmil](/molmil-images/mine/1sfh) | Reduced state of amicyanin mutant P94F | Descriptor: | Amicyanin, COPPER (I) ION, SODIUM ION | Authors: | Carrell, C.J, Sun, D, Jiang, S, Davidson, V.L, Mathews, F.S. | Deposit date: | 2004-02-19 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural Studies of Two Mutants of Amicyanin from Paracoccus denitrificans That Stabilize the Reduced State of the Copper. Biochemistry, 43, 2004
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1SA9
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![BU of 1sa9 by Molmil](/molmil-images/mine/1sa9) | Crystal Structure of the RNA octamer GGCGAGCC | Descriptor: | 5'-R(*GP*GP*CP*GP*AP*GP*CP*C)-3' | Authors: | Jang, S.B, Baeyens, K, Jeong, M.S, SantaLucia Jr, J, Turner, D, Holbrook, S.R. | Deposit date: | 2004-02-09 | Release date: | 2004-05-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structures of two RNA octamers containing tandem G.A base pairs. Acta Crystallogr.,Sect.D, 60, 2004
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1SG3
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![BU of 1sg3 by Molmil](/molmil-images/mine/1sg3) | Structure of allantoicase | Descriptor: | Allantoicase | Authors: | Leulliot, N, Quevillon-Cheruel, S, Sorel, I, Graille, M, Meyer, P, Liger, D, Blondeau, K, Janin, J, van Tilbeurgh, H. | Deposit date: | 2004-02-23 | Release date: | 2004-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Yeast Allantoicase Reveals a Repeated Jelly Roll Motif J.Biol.Chem., 279, 2004
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1US0
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![BU of 1us0 by Molmil](/molmil-images/mine/1us0) | Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, IDD594, ... | Authors: | Howard, E.I, Sanishvili, R, Cachau, R.E, Mitschler, A, Chevrier, B, Barth, P, Lamour, V, Van Zandt, M, Sibley, E, Bon, C, Moras, D, Schneider, T.R, Joachimiak, A, Podjarny, A. | Deposit date: | 2003-11-16 | Release date: | 2004-05-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.66 Å) | Cite: | Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A. Proteins, 55, 2004
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1VQQ
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![BU of 1vqq by Molmil](/molmil-images/mine/1vqq) | |
1VRY
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![BU of 1vry by Molmil](/molmil-images/mine/1vry) | Second and Third Transmembrane Domains of the Alpha-1 Subunit of Human Glycine Receptor | Descriptor: | Glycine receptor alpha-1 chain | Authors: | Ma, D, Liu, Z, Li, L, Tang, P, Xu, Y. | Deposit date: | 2005-07-20 | Release date: | 2005-07-26 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure and Dynamics of the Second and Third Transmembrane Domains of Human Glycine Receptor. Biochemistry, 44, 2005
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1VTA
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![BU of 1vta by Molmil](/molmil-images/mine/1vta) | |
1W2K
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![BU of 1w2k by Molmil](/molmil-images/mine/1w2k) | tf7a_4380 complex | Descriptor: | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | Deposit date: | 2004-07-06 | Release date: | 2005-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1VF6
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![BU of 1vf6 by Molmil](/molmil-images/mine/1vf6) | 2.1 Angstrom crystal structure of the PALS-1-L27N and PATJ L27 heterodimer complex | Descriptor: | MAGUK p55 subfamily member 5, PALS1-associated tight junction protein | Authors: | Li, Y, Lavie, A, Margolis, B, Karnak, D. | Deposit date: | 2004-04-09 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for L27 domain-mediated assembly of signaling and cell polarity complexes. Embo J., 23, 2004
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1W1G
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![BU of 1w1g by Molmil](/molmil-images/mine/1w1g) | Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to DiC4-phosphatidylinositol (3,4,5)-trisphosphate | Descriptor: | (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-06-21 | Release date: | 2004-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates Embo J., 23, 2004
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1VEQ
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![BU of 1veq by Molmil](/molmil-images/mine/1veq) | Mycobacterium smegmatis Dps Hexagonal form | Descriptor: | FE (III) ION, starvation-induced DNA protecting protein | Authors: | Roy, S, Gupta, S, Das, S, Sekar, K, Chatterji, D, Vijayan, M. | Deposit date: | 2004-04-03 | Release date: | 2004-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.98 Å) | Cite: | X-ray analysis of Mycobacterium smegmatis Dps and a comparative study involving other Dps and Dps-like molecules J.Mol.Biol., 339, 2004
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1SR4
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![BU of 1sr4 by Molmil](/molmil-images/mine/1sr4) | Crystal Structure of the Haemophilus ducreyi cytolethal distending toxin | Descriptor: | BROMIDE ION, Cytolethal distending toxin subunit A, cytolethal distending toxin protein B, ... | Authors: | Nesic, D, Hsu, Y, Stebbins, C.E. | Deposit date: | 2004-03-22 | Release date: | 2004-06-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Assembly and Function of a Bacterial Genotoxin Nature, 429, 2004
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1SF3
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![BU of 1sf3 by Molmil](/molmil-images/mine/1sf3) | Structure of the reduced form of the P94A mutant of amicyanin | Descriptor: | Amicyanin, COPPER (I) ION, PHOSPHATE ION | Authors: | Carrell, C.J, Sun, D, Jiang, S, Davidson, V.L, Mathews, F.S. | Deposit date: | 2004-02-19 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural Studies of Two Mutants of Amicyanin from Paracoccus denitrificans That Stabilize the Reduced State of the Copper. Biochemistry, 43, 2004
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1SGW
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![BU of 1sgw by Molmil](/molmil-images/mine/1sgw) | Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001 | Descriptor: | CHLORIDE ION, SODIUM ION, putative ABC transporter | Authors: | Liu, Z.J, Tempel, W, Shah, A, Chen, L, Lee, D, Kelley, L.-L.C, Dillard, B.D, Rose, J.P, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-02-24 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001 To be Published
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1SMJ
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![BU of 1smj by Molmil](/molmil-images/mine/1smj) | Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Joyce, M.G, Girvan, H.M, Munro, A.W, Leys, D. | Deposit date: | 2004-03-09 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A Single Mutation in Cytochrome P450 BM3 Induces the Conformational Rearrangement Seen upon Substrate Binding in the Wild-type Enzyme J.Biol.Chem., 279, 2004
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1SQ3
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![BU of 1sq3 by Molmil](/molmil-images/mine/1sq3) | Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus. | Descriptor: | FE (III) ION, ferritin | Authors: | Johnson, E, Cascio, D, Michael, S, Schroder, I. | Deposit date: | 2004-03-17 | Release date: | 2005-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus. Structure, 13, 2005
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1SQG
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![BU of 1sqg by Molmil](/molmil-images/mine/1sqg) | The crystal structure of the E. coli Fmu apoenzyme at 1.65 A resolution | Descriptor: | SUN protein | Authors: | Foster, P.G, Nunes, C.R, Greene, P, Moustakas, D, Stroud, R.M. | Deposit date: | 2004-03-18 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The First Structure of an RNA m5C Methyltransferase,
Fmu, Provides Insight into Catalytic Mechanism
and Specific Binding of RNA Substrate Structure, 11, 2003
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