2G2O
 
 | | Structure of E.coli FabD complexed with sulfate | | Descriptor: | Malonyl CoA-acyl carrier protein transacylase, SULFATE ION | | Authors: | Oefner, C. | | Deposit date: | 2006-02-16 | | Release date: | 2006-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
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5LGO
 | | Trypsin inhibitors for the treatment of pancreatitis - cpd 15 | | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiering, N, D'Arcy, A. | | Deposit date: | 2016-07-07 | | Release date: | 2016-08-10 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
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2G2Z
 | | Structure of E.coli FabD complexed with malonyl-CoA | | Descriptor: | COENZYME A, MALONIC ACID, Malonyl CoA-acyl carrier protein transacylase | | Authors: | Oefner, Christian | | Deposit date: | 2006-02-17 | | Release date: | 2006-06-27 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
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2HD5
 | | USP2 in complex with ubiquitin | | Descriptor: | Polyubiquitin, Ubiquitin carboxyl-terminal hydrolase 2, ZINC ION | | Authors: | Renatus, M, Kroemer, M. | | Deposit date: | 2006-06-20 | | Release date: | 2006-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis of Ubiquitin Recognition by the Deubiquitinating Protease USP2.
Structure, 14, 2006
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1OYT
 | | COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR | | Descriptor: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ... | | Authors: | Banner, D.W, Olsen, J.A. | | Deposit date: | 2003-04-07 | | Release date: | 2003-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions.
Angew.Chem.Int.Ed.Engl., 42, 2003
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2RVE
 | | THE CRYSTAL STRUCTURE OF ECORV ENDONUCLEASE AND OF ITS COMPLEXES WITH COGNATE AND NON-COGNATE DNA SEGMENTS | | Descriptor: | DNA (5'-D(*CP*GP*AP*GP*CP*TP*CP*G)-3'), PROTEIN (ECO RV (E.C.3.1.21.4)) | | Authors: | Winkler, F.K, Banner, D.W, Oefner, C, Tsernoglou, D, Brown, R.S, Heathman, S.P, Bryan, R.K, Martin, P.D, Petratos, K, Wilson, K.S. | | Deposit date: | 1991-03-19 | | Release date: | 1992-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments.
EMBO J., 12, 1993
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1IHP
 | | STRUCTURE OF PHOSPHOMONOESTERASE | | Descriptor: | PHYTASE, SULFATE ION | | Authors: | Kostrewa, D. | | Deposit date: | 1997-02-04 | | Release date: | 1998-03-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of phytase from Aspergillus ficuum at 2.5 A resolution.
Nat.Struct.Biol., 4, 1997
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1AD4
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4AX9
 | | Human thrombin complexed with Napsagatran, RO0466240 | | Descriptor: | 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... | | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K, Spinelli, S, Cambillau, C. | | Deposit date: | 2012-06-11 | | Release date: | 2012-06-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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4AYV
 | | Human thrombin - inhibitor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ... | | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | Deposit date: | 2012-06-22 | | Release date: | 2012-08-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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4AZ2
 | | Human thrombin - inhibitor complex | | Descriptor: | (R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | Deposit date: | 2012-06-22 | | Release date: | 2012-08-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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4AYY
 | | Human thrombin - inhibitor complex | | Descriptor: | (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | Deposit date: | 2012-06-22 | | Release date: | 2012-08-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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1BF9
 | | N-TERMINAL EGF-LIKE DOMAIN FROM HUMAN FACTOR VII, NMR, 23 STRUCTURES | | Descriptor: | FACTOR VII | | Authors: | Muranyi, A, Finn, B.E, Gippert, G.P, Forsen, S, Stenflo, J, Drakenberg, T. | | Deposit date: | 1998-05-28 | | Release date: | 1999-02-16 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal EGF-like domain from human factor VII.
Biochemistry, 37, 1998
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1JBU
 | | Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183 | | Descriptor: | BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ... | | Authors: | Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H. | | Deposit date: | 2001-06-06 | | Release date: | 2001-07-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The factor VII zymogen structure reveals reregistration of beta strands during activation.
Structure, 9, 2001
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1Q0H
 | | Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ... | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-16 | | Release date: | 2004-07-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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1Q0L
 | | Crystal structure of DXR in complex with fosmidomycin | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-16 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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1EXT
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1Q0Q
 | | Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate | | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-17 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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1FT4
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1THG
 | | 1.8 ANGSTROMS REFINED STRUCTURE OF THE LIPASE FROM GEOTRICHUM CANDIDUM | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Schrag, J.D, Cygler, M. | | Deposit date: | 1992-07-28 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 A refined structure of the lipase from Geotrichum candidum.
J.Mol.Biol., 230, 1993
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