2ZLG
 
 | | The Structual Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase | | Descriptor: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid, GLYCEROL, Ribonucleoside-diphosphate reductase large chain 1 | | Authors: | Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C. | | Deposit date: | 2008-04-09 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
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2E1Q
 | | Crystal Structure of Human Xanthine Oxidoreductase mutant, Glu803Val | | Descriptor: | 2-HYDROXYBENZOIC ACID, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Yamaguchi, Y, Matsumura, T, Ichida, K, Okamoto, K, Nishino, T. | | Deposit date: | 2006-10-27 | | Release date: | 2007-09-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human xanthine oxidase changes its substrate specificity to aldehyde oxidase type upon mutation of amino acid residues in the active site: roles of active site residues in binding and activation of purine substrate
J.Biochem.(Tokyo), 141, 2007
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1HET
 | | atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S. | | Deposit date: | 2000-11-25 | | Release date: | 2001-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
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1CWU
 | | BRASSICA NAPUS ENOYL ACP REDUCTASE A138G MUTANT COMPLEXED WITH NAD+ AND THIENODIAZABORINE | | Descriptor: | 6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL, ENOYL ACP REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Roujeinikova, A, Rafferty, J.B, Rice, D.W. | | Deposit date: | 1999-08-26 | | Release date: | 1999-09-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inhibitor binding studies on enoyl reductase reveal conformational changes related to substrate recognition.
J.Biol.Chem., 274, 1999
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1YR5
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4AUE
 | | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-05-17 | | Release date: | 2013-02-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
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2NQT
 | | Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis at 1.58 A resolution | | Descriptor: | N-acetyl-gamma-glutamyl-phosphate reductase | | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2006-10-31 | | Release date: | 2006-11-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
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2EHU
 | | Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound NAD and Inhibitor L-serine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, ... | | Authors: | Inagaki, E, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-09 | | Release date: | 2007-09-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure Analysis of delta1-pyrroline-5-carboxylate dehydrogenase in ternary complex with inhibitor and NAD.
To be Published
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3A4X
 | | Crystal structures of catalytic site mutants of active domain 2 of thermostable chitinase from Pyrococcus furiosus complexed with chito-oligosaccharides | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase, GLYCEROL, ... | | Authors: | Tsuji, H, Nishimura, S, Inui, T, Ishikawa, K, Nakamura, T, Uegaki, K. | | Deposit date: | 2009-07-22 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Kinetic and crystallographic analyses of the catalytic domain of chitinase from Pyrococcus furiosus- the role of conserved residues in the active site
Febs J., 277, 2010
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1V97
 | | Crystal Structure of Bovine Milk Xanthine Dehydrogenase FYX-051 bound form | | Descriptor: | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE, ACETIC ACID, CALCIUM ION, ... | | Authors: | Okamoto, K, Matsumoto, K, Hille, R, Eger, B.T, Pai, E.F, Nishino, T. | | Deposit date: | 2004-01-21 | | Release date: | 2004-06-22 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The crystal structure of xanthine oxidoreductase during catalysis: Implications for reaction mechanism and enzyme inhibition.
Proc.Natl.Acad.Sci.USA, 101, 2004
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1E9O
 | | Crystal structure of bovine SOD - 1 of 3 | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE | | Authors: | Hough, M.A, Samar Hasnain, S. | | Deposit date: | 2000-10-25 | | Release date: | 2000-12-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformational Variability of the Cu Site in One Subunit of Bovine Cuzn Superoxide Dismutase: The Importance of Mobility in the Glu119-Leu142 Loop Region for Catalytic Function
J.Mol.Biol., 304, 2000
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4JCK
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4GE8
 | | OYE1-W116I complexed with (s)-Carvone | | Descriptor: | (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Pompeu, Y.A, Stewart, J.D. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
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1HDY
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5FCB
 | | Murine SMPDL3A in complex with AMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, Acid sphingomyelinase-like phosphodiesterase 3a, ... | | Authors: | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | | Deposit date: | 2015-12-15 | | Release date: | 2016-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
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5O9T
 | | HsNMT1 in complex with CoA and acetylated-NCFSKPK peptide | | Descriptor: | 1IP-CYS-PHE-SER-LYS-PRO-ARG, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dian, C, Meinnel, T, Giglione, C. | | Deposit date: | 2017-06-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
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1E9Q
 | | Crystal structure of bovine Cu Zn SOD - (1 of 3) | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Hough, M.A, Hasnain, S.S. | | Deposit date: | 2000-10-26 | | Release date: | 2000-12-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Conformational Variability of the Cu Site in One Subunit of Bovine Cuzn Superoxide Dismutase: The Importance of Mobility in the Glu119-Leu142 Loop Region for Catalytic Function
J.Mol.Biol., 304, 2000
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5NZO
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 1-methyl-3-phenyl-1H-pyrazol-5-amine | | Descriptor: | 2-methyl-5-phenyl-pyrazol-3-amine, D-3-phosphoglycerate dehydrogenase | | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-05-14 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
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5THF
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1HDX
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1P12
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1P11
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3LLP
 | | 1.8 Angstrom human fascin 1 crystal structure | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, Fascin, ... | | Authors: | Chen, L, Yang, S, Jakoncic, J, Zhang, J.J, Huang, X.-Y. | | Deposit date: | 2010-01-29 | | Release date: | 2010-04-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Migrastatin analogues target fascin to block tumour metastasis.
Nature, 464, 2010
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4F70
 | | Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea) | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea, Cyclin-C, ... | | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | | Deposit date: | 2012-05-15 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4F7N
 | | Crystal structure of human CDK8/CYCC in complex with compound 11 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea) | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea, Cyclin-C, ... | | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | | Deposit date: | 2012-05-16 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
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