2PGQ
 
 | | Human thrombin mutant C191A-C220A in complex with the inhibitor PPACK | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | | Authors: | Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E. | | Deposit date: | 2007-04-10 | | Release date: | 2007-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery
J.Biol.Chem., 282, 2007
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5TEQ
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1ZUJ
 | | The crystal structure of the Lactococcus lactis MG1363 DpsA protein | | Descriptor: | hypothetical protein Llacc01001955 | | Authors: | Stillman, T.J, Upadhyay, M, Norte, V.A, Sedelnikova, S.E, Carradus, M, Tzokov, S, Bullough, P.A, Shearman, C.A, Gasson, M.J, Williams, C.H, Artymiuk, P.J, Green, J. | | Deposit date: | 2005-05-31 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
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1P9R
 | | Crystal Structure of Vibrio cholerae putative NTPase EpsE | | Descriptor: | CHLORIDE ION, General secretion pathway protein E, ZINC ION | | Authors: | Robien, M.A, Krumm, B.E, Sandkvist, M, Hol, W.G.J. | | Deposit date: | 2003-05-12 | | Release date: | 2003-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the extracellular protein secretion NTPase EpsE of Vibrio cholerae
J.Mol.Biol., 333, 2003
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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: | 2023-11-15 | | 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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2FSE
 | | Crystallographic structure of a rheumatoid arthritis MHC susceptibility allele, HLA-DR1 (DRB1*0101), complexed with the immunodominant determinant of human type II collagen | | Descriptor: | Collagen alpha-1(II), H-2 class II histocompatibility antigen, E-K alpha chain, ... | | Authors: | Ivey, R.A, Rosloniec, E.F, Whittington, K.B, Kang, A.H, Park, H.W. | | Deposit date: | 2006-01-22 | | Release date: | 2006-09-19 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystallographic Structure of a Rheumatoid Arthritis MHC Susceptibility Allele, HLA-DR1 (DRB1*0101), Complexed with the Immunodominant Determinant of Human Type II Collagen.
J.Immunol., 177, 2006
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1Q39
 | | Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The WT enzyme at 2.8 resolution. | | Descriptor: | CALCIUM ION, Endonuclease VIII, ZINC ION | | Authors: | Golan, G, Zharkov, D.O, Feinberg, H, Fernandes, A.S, Zaika, E.I, Kycia, J.H, Grollman, A.P, Shoham, G. | | Deposit date: | 2003-07-29 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the uncomplexed DNA repair enzyme endonuclease VIII indicates significant interdomain flexibility.
Nucleic Acids Res., 33, 2005
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1ICR
 | | THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID | | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | | Authors: | Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A. | | Deposit date: | 2001-04-02 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution.
J.Mol.Biol., 309, 2001
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2FTC
 | | Structural Model for the Large Subunit of the Mammalian Mitochondrial Ribosome | | Descriptor: | 39S ribosomal protein L11, mitochondrial, 39S ribosomal protein L12, ... | | Authors: | Mears, J.A, Sharma, M.R, Gutell, R.R, Richardson, P.E, Agrawal, R.K, Harvey, S.C. | | Deposit date: | 2006-01-24 | | Release date: | 2006-04-11 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (12.1 Å) | | Cite: | A Structural Model for the Large Subunit of the Mammalian Mitochondrial Ribosome
J.Mol.Biol., 358, 2006
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6I57
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2AF8
 | | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN | | Authors: | Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J. | | Deposit date: | 1997-03-23 | | Release date: | 1997-09-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2).
Biochemistry, 36, 1997
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2PGB
 | | Inhibitor-free human thrombin mutant C191A-C220A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SULFATE ION | | Authors: | Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E. | | Deposit date: | 2007-04-09 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery
J.Biol.Chem., 282, 2007
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3HVI
 | | Rat catechol O-methyltransferase in complex with a catechol-type, N6-ethyladenine-containing bisubstrate inhibitor | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2009-06-16 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
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2FT3
 | | Crystal structure of the biglycan dimer core protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Biglycan, CITRATE ANION | | Authors: | Scott, P.G, Dodd, C.M, Bergmann, E.M. | | Deposit date: | 2006-01-23 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal Structure of the Biglycan Dimer and Evidence That Dimerization Is Essential for Folding and Stability of Class I Small Leucine-rich Repeat Proteoglycans.
J.Biol.Chem., 281, 2006
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4JOM
 | | Structure of E. coli Pol III 3mPHP mutant | | Descriptor: | DNA polymerase III subunit alpha, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Barros, T, Guenther, J, Kelch, B, Anaya, J, Prabhakar, A, O'Donnell, M, Kuriyan, J, Lamers, M.H. | | Deposit date: | 2013-03-18 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A structural role for the PHP domain in E. coli DNA polymerase III.
Bmc Struct.Biol., 13, 2013
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6H8F
 | | Fragment of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | | Descriptor: | TssA | | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | Deposit date: | 2018-08-02 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
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3HVJ
 | | Rat catechol O-methyltransferase in complex with a catechol-type, N6-propyladenine-containing bisubstrate inhibitor | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2009-06-16 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3HVK
 | | Rat catechol O-methyltransferase in complex with a catechol-type, purine-containing bisubstrate inhibitor - humanized form | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2009-06-16 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3O0U
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2Q7W
 | | Structural Studies Reveals the Inactivation of E. coli L-aspartate aminotransferase (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms at pH 6.0 | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-07 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms".
Biochemistry, 46, 2007
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2Q8M
 | | T-like Fructose-1,6-bisphosphatase from Escherichia coli with AMP, Glucose 6-phosphate, and Fructose 1,6-bisphosphate bound | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Hines, J.K, Kruesel, C.E, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of Inhibited Fructose-1,6-bisphosphatase from Escherichia coli: DISTINCT ALLOSTERIC INHIBITION SITES FOR AMP AND GLUCOSE 6-PHOSPHATE AND THE CHARACTERIZATION OF A GLUCONEOGENIC SWITCH.
J.Biol.Chem., 282, 2007
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2QB2
 | | Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (s)-4,5-dihydro-2thiophenecarboylic acid (SADTA) via two mechanisms (at pH 7.0). | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-15 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
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1S2D
 | | Purine 2'-Deoxyribosyl complex with arabinoside: Ribosylated Intermediate (AraA) | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-arabinofuranose, ADENINE, Nucleoside 2-deoxyribosyltransferase | | Authors: | Anand, R, Kaminski, P.A, Ealick, S.E. | | Deposit date: | 2004-01-08 | | Release date: | 2004-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of purine 2'-deoxyribosyltransferase, substrate complexes, and the ribosylated enzyme intermediate at 2.0 A resolution.
Biochemistry, 43, 2004
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5V6S
 | | Crystal structure of small molecule acrylamide 1 covalently bound to K-Ras G12C | | Descriptor: | 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | McGregor, L.M, Jenkins, M, Kerwin, C, Burke, J.E, Shokat, K.M. | | Deposit date: | 2017-03-17 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Expanding the Scope of Electrophiles Capable of Targeting K-Ras Oncogenes.
Biochemistry, 56, 2017
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2QG0
 | | HSP90 complexed with A943037 | | Descriptor: | Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | | Authors: | Park, C.H. | | Deposit date: | 2007-06-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
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