1GJ6
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![BU of 1gj6 by Molmil](/molmil-images/mine/1gj6) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GJ8
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![BU of 1gj8 by Molmil](/molmil-images/mine/1gj8) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GJA
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![BU of 1gja by Molmil](/molmil-images/mine/1gja) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | CITRIC ACID, N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GJ5
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![BU of 1gj5 by Molmil](/molmil-images/mine/1gj5) | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | Descriptor: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GMY
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![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
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1EG6
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![BU of 1eg6 by Molmil](/molmil-images/mine/1eg6) | CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE | Descriptor: | 5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3', 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE, BROMIDE ION, ... | Authors: | Cardin, C.J, Denny, W.A, Hobbs, J.R, Thorpe, J.H. | Deposit date: | 2000-02-14 | Release date: | 2001-01-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Guanine specific binding at a DNA junction formed by d[CG(5-BrU)ACG](2) with a topoisomerase poison in the presence of Co(2+) ions. Biochemistry, 39, 2000
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1GJ4
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![BU of 1gj4 by Molmil](/molmil-images/mine/1gj4) | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GJD
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![BU of 1gjd by Molmil](/molmil-images/mine/1gjd) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | CITRIC ACID, N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-05-03 | Release date: | 2002-05-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GU1
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![BU of 1gu1 by Molmil](/molmil-images/mine/1gu1) | Crystal structure of type II dehydroquinase from Streptomyces coelicolor complexed with 2,3-anhydro-quinic acid | Descriptor: | 2,3 -ANHYDRO-QUINIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | Authors: | Roszak, A.W, Robinson, D.A, Krell, T, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-01-22 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Structure, 10, 2002
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1H6R
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![BU of 1h6r by Molmil](/molmil-images/mine/1h6r) | The oxidized state of a redox sensitive variant of green fluorescent protein | Descriptor: | CHLORIDE ION, GREEN FLUORESCENT PROTEIN | Authors: | Ostergaard, H, Henriksen, A, Hansen, F.G, Winther, J.R. | Deposit date: | 2001-06-22 | Release date: | 2001-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Shedding Light on Disulfide Bond Formation: Engineering a Redox Switch in Green Fluorescent Protein Embo J., 20, 2001
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1GCE
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![BU of 1gce by Molmil](/molmil-images/mine/1gce) | STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1 | Descriptor: | BETA-LACTAMASE | Authors: | Crichlow, G.V, Kuzin, A.P, Nukaga, M, Sawai, T, Knox, J.R. | Deposit date: | 1999-05-17 | Release date: | 1999-08-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the extended-spectrum class C beta-lactamase of Enterobacter cloacae GC1, a natural mutant with a tandem tripeptide insertion. Biochemistry, 38, 1999
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1HGX
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![BU of 1hgx by Molmil](/molmil-images/mine/1hgx) | |
1DPJ
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![BU of 1dpj by Molmil](/molmil-images/mine/1dpj) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, ... | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-27 | Release date: | 2000-05-03 | Last modified: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1DSI
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![BU of 1dsi by Molmil](/molmil-images/mine/1dsi) | Solution structure of a duocarmycin sa-indole-alkylated dna dupleX | Descriptor: | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3') | Authors: | Schnell, J.R, Ketchem, R.R, Boger, D.L, Chazin, W.J. | Deposit date: | 1998-07-29 | Release date: | 1998-08-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Binding-Induced Activation of DNA Alkylation by Duocarmycin SA: Insights from the Structure of an Indole Derivative-DNA Adduct J.Am.Chem.Soc., 121, 1999
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1DP5
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![BU of 1dp5 by Molmil](/molmil-images/mine/1dp5) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR | Descriptor: | PROTEINASE A, PROTEINASE INHIBITOR IA3, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-23 | Release date: | 2000-05-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1H3I
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![BU of 1h3i by Molmil](/molmil-images/mine/1h3i) | Crystal structure of the Histone Methyltransferase SET7/9 | Descriptor: | HISTONE H3 LYSINE 4 SPECIFIC METHYLTRANSFERASE, MAGNESIUM ION | Authors: | Wilson, J.R, Jing, C, Walker, P.A, Martin, S.R, Howell, S.A, Blackburn, G.M, Gamblin, S.J, Xiao, B. | Deposit date: | 2002-09-04 | Release date: | 2002-11-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Functional Analysis of the Histone Methyltransferase Set7/9 Cell(Cambridge,Mass.), 111, 2002
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1GU0
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![BU of 1gu0 by Molmil](/molmil-images/mine/1gu0) | CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE | Authors: | Roszak, A.W, Krell, T, Robinson, D, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-01-22 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Structure, 10, 2002
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1H3D
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![BU of 1h3d by Molmil](/molmil-images/mine/1h3d) | STRUCTURE OF THE E.COLI ATP-PHOSPHORIBOSYLTRANSFERASE | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-PHOSPHORIBOSYLTRANSFERASE, L(+)-TARTARIC ACID | Authors: | Lohkamp, B, McDermott, G, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-08-27 | Release date: | 2003-10-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structure of Escherichia Coli ATP-Phosphoribosyltransferase: Identification of Substrate Binding Sites and Mode of AMP Inhibition J.Mol.Biol., 336, 2004
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1GJB
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![BU of 1gjb by Molmil](/molmil-images/mine/1gjb) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1HA3
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![BU of 1ha3 by Molmil](/molmil-images/mine/1ha3) | ELONGATION FACTOR TU IN COMPLEX WITH aurodox | Descriptor: | BETA-MERCAPTOETHANOL, ELONGATION FACTOR TU, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vogeley, L, Palm, G.J, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2001-03-26 | Release date: | 2001-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Change of Elongation Factor TU Induced by Antibiotic Binding: Crystal Structure of the Complex between EF-TU:Gdp and Aurodox J.Biol.Chem., 276, 2001
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1GTZ
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![BU of 1gtz by Molmil](/molmil-images/mine/1gtz) | Structure of STREPTOMYCES COELICOLOR TYPE II DEHYDROQUINASE R23A MUTANT IN COMPLEX WITH DEHYDROSHIKIMATE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, 3-DEHYDROSHIKIMATE | Authors: | Roszak, A.W, Krell, T, Robinson, D.A, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-01-22 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Structure, 10, 2002
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1G5N
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![BU of 1g5n by Molmil](/molmil-images/mine/1g5n) | ANNEXIN V COMPLEX WITH HEPARIN OLIGOSACCHARIDES | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ANNEXIN V, CALCIUM ION | Authors: | Capila, I, Heraiz, M.J, Mo, Y.D, Mealy, T.R, Campos, B, Dedman, J.R, Linhardt, R.J, Seaton, B.A. | Deposit date: | 2000-11-01 | Release date: | 2001-06-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Annexin V--heparin oligosaccharide complex suggests heparan sulfate--mediated assembly on cell surfaces. Structure, 9, 2001
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1GJ7
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![BU of 1gj7 by Molmil](/molmil-images/mine/1gj7) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GS9
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![BU of 1gs9 by Molmil](/molmil-images/mine/1gs9) | Apolipoprotein E4, 22k domain | Descriptor: | APOLIPOPROTEIN E | Authors: | Verderame, J.R, Kantardjieff, K, Segelke, B, Weisgraber, K, Rupp, B. | Deposit date: | 2002-01-02 | Release date: | 2003-06-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the 22K Domain of Human Apolipoprotein E4 To be Published
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1ERT
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![BU of 1ert by Molmil](/molmil-images/mine/1ert) | HUMAN THIOREDOXIN (REDUCED FORM) | Descriptor: | THIOREDOXIN | Authors: | Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R. | Deposit date: | 1996-02-07 | Release date: | 1996-10-14 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer. Structure, 4, 1996
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