2WV5
 
 | | Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction with a GLN to Glu substitution at P1 | | Descriptor: | FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C | | Authors: | Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S. | | Deposit date: | 2009-10-13 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate.
J.Mol.Biol., 395, 2010
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2GWD
 | | Crystal structure of plant glutamate cysteine ligase in complex with Mg2+ and L-glutamate | | Descriptor: | ACETATE ION, GLUTAMIC ACID, Glutamate cysteine ligase, ... | | Authors: | Hothorn, M, Wachter, A, Gromes, R, Stuwe, T, Rausch, T, Scheffzek, K. | | Deposit date: | 2006-05-04 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis for the redox control of plant glutamate cysteine ligase.
J.Biol.Chem., 281, 2006
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1F6Y
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4IR4
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A) | | Descriptor: | 1,2-ETHANEDIOL, 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
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4IR5
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A) | | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
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4IR3
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A) | | Descriptor: | 1,2-ETHANEDIOL, 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ... | | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
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4IR6
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A) | | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
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4IXD
 | | X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution | | Descriptor: | 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide, Integrin alpha-L, MAGNESIUM ION | | Authors: | Kallen, J. | | Deposit date: | 2013-01-25 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and x-ray structure based investigation of an ICAM-1 binding enhancing small molecule activator of LFA-1
To be Published, 2013
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1HDS
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4IVN
 | | The Vibrio vulnificus NanR protein complexed with ManNAc-6P | | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, Transcriptional regulator | | Authors: | Hwang, J, Kim, M.H. | | Deposit date: | 2013-01-23 | | Release date: | 2013-07-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the regulation of sialic acid catabolism by the Vibrio vulnificus transcriptional repressor NanR
Proc.Natl.Acad.Sci.USA, 110, 2013
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4KCG
 | | Human dCK C4S-S74E mutant in complex with UDP and the DI-39 inhibitor | | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-04-24 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Co-targeting of convergent nucleotide biosynthetic pathways for leukemia eradication.
J.Exp.Med., 211, 2014
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2FA3
 | | HMG-CoA synthase from Brassica juncea in complex with acetyl-CoA and acetyl-cys117. | | Descriptor: | ACETYL COENZYME *A, HMG-CoA synthase | | Authors: | Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P. | | Deposit date: | 2005-12-06 | | Release date: | 2006-07-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2F9A
 | | HMG-CoA synthase from Brassica juncea in complex with F-244 | | Descriptor: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, 3-Hydroxy-3-methylglutaryl coenzyme A synthase 1 | | Authors: | Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P. | | Deposit date: | 2005-12-05 | | Release date: | 2006-07-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4L5B
 | | Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor | | Descriptor: | 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-06-10 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
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1IDE
 | | ISOCITRATE DEHYDROGENASE Y160F MUTANT STEADY-STATE INTERMEDIATE COMPLEX (LAUE DETERMINATION) | | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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2F82
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4K0W
 | | X-ray crystal structure of OXA-23 A220 duplication clinical variant | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ... | | Authors: | Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A. | | Deposit date: | 2013-04-04 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
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1IDD
 | | ISOCITRATE DEHYDROGENASE Y160F MUTANT APO ENZYME | | Descriptor: | ISOCITRATE DEHYDROGENASE | | Authors: | Lee, M.E, Dyer, D.H, Klein, O.D, Bolduc, J.M, Stoddard, B.L, Koshland Junior, D.E. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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2FA0
 | | HMG-CoA synthase from Brassica juncea in complex with HMG-CoA and covalently bound to HMG-CoA | | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, HMG-CoA synthase | | Authors: | Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P. | | Deposit date: | 2005-12-06 | | Release date: | 2006-07-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4JLK
 | | Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE) | | Descriptor: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-03-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
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3GOJ
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4K0X
 | | X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii | | Descriptor: | BICARBONATE ION, Beta-lactamase | | Authors: | Klinger, N.V, Ramey, M.E, Leonard, D.A, Powers, R.A. | | Deposit date: | 2013-04-04 | | Release date: | 2013-08-07 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
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4LYS
 | | Crystal Structure of BRD4(1) bound to Colchiceine | | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION | | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | | Deposit date: | 2013-07-31 | | Release date: | 2014-01-15 | | Last modified: | 2014-01-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
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1IDC
 | | ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY | | Descriptor: | 2-OXALOSUCCINIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION | | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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1IDF
 | | ISOCITRATE DEHYDROGENASE K230M MUTANT APO ENZYME | | Descriptor: | ISOCITRATE DEHYDROGENASE | | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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