1SY7
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![BU of 1sy7 by Molmil](/molmil-images/mine/1sy7) | Crystal structure of the catalase-1 from Neurospora crassa, native structure at 1.75A resolution. | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Diaz, A, Horjales, E, Rudino-Pinera, E, Arreola, R, Hansberg, W. | Deposit date: | 2004-04-01 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unusual Cys-Tyr covalent bond in a large catalase J.Mol.Biol., 342, 2004
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3LIM
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![BU of 3lim by Molmil](/molmil-images/mine/3lim) | Crystal structure of the pore forming toxin frac from sea anemone actinia fragacea | Descriptor: | Fragaceatoxin C, LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Mechaly, A.E, Bellomio, A, Morante, K, Gonzalez-Manas, J.M, Guerin, D.M.A. | Deposit date: | 2010-01-25 | Release date: | 2010-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the oligomerization and architecture of eukaryotic membrane pore-forming toxins. Structure, 19, 2011
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1TCO
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![BU of 1tco by Molmil](/molmil-images/mine/1tco) | TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS) | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, FE (III) ION, ... | Authors: | Griffith, J.P, Kim, J.L, Kim, E.E, Sintchak, M.D, Thomson, J.A, Fitzgibbon, M.J, Fleming, M.A, Caron, P.R, Hsiao, K, Navia, M.A. | Deposit date: | 1996-08-21 | Release date: | 1997-02-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex. Cell(Cambridge,Mass.), 82, 1995
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1TAH
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![BU of 1tah by Molmil](/molmil-images/mine/1tah) | THE CRYSTAL STRUCTURE OF TRIACYLGLYCEROL LIPASE FROM PSEUDOMONAS GLUMAE REVEALS A PARTIALLY REDUNDANT CATALYTIC ASPARTATE | Descriptor: | CALCIUM ION, LIPASE | Authors: | Noble, M.E.M, Cleasby, A, Johnson, L.N, Egmond, M, Frenken, L.G.J. | Deposit date: | 1993-12-21 | Release date: | 1994-05-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of triacylglycerol lipase from Pseudomonas glumae reveals a partially redundant catalytic aspartate. FEBS Lett., 331, 1993
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4TNW
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![BU of 4tnw by Molmil](/molmil-images/mine/4tnw) | C. elegans glutamate-gated chloride channel (GluCl) in complex with Fab and POPC in a lipid-modulated conformation | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avermectin-sensitive glutamate-gated chloride channel GluCl alpha, ... | Authors: | Althoff, T, Hibbs, R.E, Banerjee, S, Gouaux, E. | Deposit date: | 2014-06-05 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray structures of GluCl in apo states reveal a gating mechanism of Cys-loop receptors. Nature, 512, 2014
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1M9R
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![BU of 1m9r by Molmil](/molmil-images/mine/1m9r) | human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound | Descriptor: | 3-BROMO-7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1D8F
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![BU of 1d8f by Molmil](/molmil-images/mine/1d8f) | CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR. | Descriptor: | CALCIUM ION, N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ... | Authors: | Cheng, M.Y, De, B, Pikul, S, Almstead, N.G, Natchus, M.G, Anastasio, M.V, McPhail, S.J, Snider, C.E, Taiwo, Y.O, Chen, L.Y. | Deposit date: | 1999-10-22 | Release date: | 2000-10-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of piperazine-based matrix metalloproteinase inhibitors. J.Med.Chem., 43, 2000
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1XEB
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![BU of 1xeb by Molmil](/molmil-images/mine/1xeb) | Crystal Structure of an Acyl-CoA N-acyltransferase from Pseudomonas aeruginosa | Descriptor: | hypothetical protein PA0115 | Authors: | Bertero, M.G, Walker, J.R, Skarina, T, Gorodichtchenskaia, E, Joachimiak, A, Edwards, A.E, Savchenko, A, Strynadka, N, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-09-09 | Release date: | 2004-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The crystal structure of an Acyl-CoA N-acyltransferase from Pseudomonas aeruginosa To be Published
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1STY
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![BU of 1sty by Molmil](/molmil-images/mine/1sty) | |
1XC7
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![BU of 1xc7 by Molmil](/molmil-images/mine/1xc7) | Binding of beta-D-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: Kinetic and crystallographic studies | Descriptor: | Glycogen phosphorylase, muscle form, N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Kardakaris, R, Bischler, N, Leonidas, D.D, Kannan, T, Loganathan, D, Oikonomakos, N.G. | Deposit date: | 2004-09-01 | Release date: | 2005-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Binding of beta-d-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: kinetic and crystallographic studies Bioorg.Med.Chem., 13, 2005
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1CW2
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![BU of 1cw2 by Molmil](/molmil-images/mine/1cw2) | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID | Descriptor: | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | Deposit date: | 1999-08-25 | Release date: | 1999-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase. Biochemistry, 38, 1999
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2CNH
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![BU of 2cnh by Molmil](/molmil-images/mine/2cnh) | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | CALCIUM ION, N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-21 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B. J.Biol.Chem., 281, 2006
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4GK1
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![BU of 4gk1 by Molmil](/molmil-images/mine/4gk1) | Crystal structure of CD23 lectin domain mutant D270A | Descriptor: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | Deposit date: | 2012-08-10 | Release date: | 2013-06-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E. J.Biol.Chem., 288, 2013
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2HQ6
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![BU of 2hq6 by Molmil](/molmil-images/mine/2hq6) | Structure of the Cyclophilin_CeCYP16-Like Domain of the Serologically Defined Colon Cancer Antigen 10 from Homo Sapiens | Descriptor: | GLYCEROL, IODIDE ION, Serologically defined colon cancer antigen 10 | Authors: | Walker, J.R, Davis, T, Paramanathan, R, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-18 | Release date: | 2006-08-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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1QO1
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![BU of 1qo1 by Molmil](/molmil-images/mine/1qo1) | Molecular Architecture of the Rotary Motor in ATP Synthase from Yeast Mitochondria | Descriptor: | ATP SYNTHASE ALPHA CHAIN, ATP SYNTHASE BETA CHAIN, ATP SYNTHASE DELTA CHAIN, ... | Authors: | Stock, D, Leslie, A.G.W, Walker, J.E. | Deposit date: | 1999-11-01 | Release date: | 1999-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Molecular Architecture of the Rotary Motor in ATP Synthase Science, 286, 1999
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2QBY
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![BU of 2qby by Molmil](/molmil-images/mine/2qby) | Crystal structure of a heterodimer of Cdc6/Orc1 initiators bound to origin DNA (from S. solfataricus) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 6 homolog 1, Cell division control protein 6 homolog 3, ... | Authors: | Cunningham Dueber, E.L, Corn, J.E, Bell, S.D, Berger, J.M. | Deposit date: | 2007-06-18 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Replication origin recognition and deformation by a heterodimeric archaeal Orc1 complex. Science, 317, 2007
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1VJA
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![BU of 1vja by Molmil](/molmil-images/mine/1vja) | Urokinase Plasminogen Activator B-Chain-JT463 Complex | Descriptor: | N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE, SULFATE ION, plasminogen activator, ... | Authors: | Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J. | Deposit date: | 2004-02-03 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents J.Biol.Chem., 279, 2004
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4TPW
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![BU of 4tpw by Molmil](/molmil-images/mine/4tpw) | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | Descriptor: | (2E)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Papadopoulos, E, Jenni, S, Wagner, G. | Deposit date: | 2014-06-09 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G. Proc.Natl.Acad.Sci.USA, 111, 2014
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2HW5
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![BU of 2hw5 by Molmil](/molmil-images/mine/2hw5) | The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 | Descriptor: | CROTONYL COENZYME A, Enoyl-CoA hydratase, MAGNESIUM ION | Authors: | Turnbull, A.P, Salah, E, Niesen, F, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Kavanagh, K, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-31 | Release date: | 2006-08-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 To be Published
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4TMN
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![BU of 4tmn by Molmil](/molmil-images/mine/4tmn) | SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES | Descriptor: | CALCIUM ION, N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine, THERMOLYSIN, ... | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | Deposit date: | 1987-06-29 | Release date: | 1989-01-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues. Biochemistry, 26, 1987
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1CRC
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![BU of 1crc by Molmil](/molmil-images/mine/1crc) | CYTOCHROME C AT LOW IONIC STRENGTH | Descriptor: | CYTOCHROME C, HEME C | Authors: | Sanishvili, R, Volz, K.W, Westbrook, E.M, Margoliash, E. | Deposit date: | 1995-03-22 | Release date: | 1996-03-08 | Last modified: | 2021-03-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The low ionic strength crystal structure of horse cytochrome c at 2.1 A resolution and comparison with its high ionic strength counterpart. Structure, 3, 1995
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1W14
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![BU of 1w14 by Molmil](/molmil-images/mine/1w14) | UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Jacob, U. | Deposit date: | 2004-06-15 | Release date: | 2008-05-20 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors. J.Mol.Biol., 328, 2003
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4TQB
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![BU of 4tqb by Molmil](/molmil-images/mine/4tqb) | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | Descriptor: | (2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Papadopoulos, E, Jenni, S, Wagner, G. | Deposit date: | 2014-06-10 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G. Proc.Natl.Acad.Sci.USA, 111, 2014
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229L
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![BU of 229l by Molmil](/molmil-images/mine/229l) | GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GUANIDINE, ... | Authors: | Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W. | Deposit date: | 1997-06-26 | Release date: | 1998-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions. J.Mol.Biol., 277, 1998
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2CNF
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![BU of 2cnf by Molmil](/molmil-images/mine/2cnf) | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-21 | Release date: | 2006-09-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B. J.Biol.Chem., 281, 2006
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