6HDG
 
 | | D170N variant of beta-phosphoglucomutase from Lactococcus lactis complexed with beta-G1P in a closed conformer to 1.2 A. | | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ... | | Authors: | Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P. | | Deposit date: | 2018-08-17 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
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6HDK
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1W9P
 | | Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinaseFra | | Descriptor: | CHITINASE, SULFATE ION | | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F. | | Deposit date: | 2004-10-15 | | Release date: | 2004-10-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
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2VI5
 | | LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide | | Descriptor: | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ... | | Authors: | Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R. | | Deposit date: | 2007-11-27 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications.
J.Org.Chem., 73, 2008
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1W8G
 | | CRYSTAL STRUCTURE OF E. COLI K-12 YGGS | | Descriptor: | HYPOTHETICAL UPF0001 PROTEIN YGGS, ISOCITRIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Sulzenbacher, G, Gruez, A, Spinelli, S, Roig-Zamboni, V, Pagot, F, Bignon, C, Vincentelli, R, Cambillau, C. | | Deposit date: | 2004-09-21 | | Release date: | 2006-07-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of E. Coli K-12 Yggs
To be Published
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2V19
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3M5C
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase K302E mutant complexed with PALAO | | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase.
Biochemistry, 49, 2010
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6H04
 | | Closed conformation of the Membrane Attack Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ... | | Authors: | Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D. | | Deposit date: | 2018-07-06 | | Release date: | 2018-12-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
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1VCP
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3M76
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2V61
 | | Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-(methylamino)methyl-coumarin | | Descriptor: | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE, AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Wang, J, Pisani, L, Caccia, C, Carotti, A, Salvati, P, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2007-07-13 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs.
J.Med.Chem., 50, 2007
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3MED
 | | HIV-1 K103N Reverse Transcriptase in Complex with TMC125 | | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, CHLORIDE ION, SULFATE ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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3M2B
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2VCN
 | | Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant W41A | | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2007-09-25 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
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2VCW
 | | Complex structure of prostaglandin D2 synthase at 1.95A. | | Descriptor: | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE | | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | | Deposit date: | 2007-09-27 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
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1VWA
 | | STREPTAVIDIN-FSHPQNT | | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | | Authors: | Katz, B.A, Cass, R.T. | | Deposit date: | 1997-03-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
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2VD1
 | | Complex structure of prostaglandin D2 synthase at 2.25A. | | Descriptor: | 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, ... | | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | | Deposit date: | 2007-09-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
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3M3E
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3MG3
 | | Crystal structure of the orange carotenoid protein R155L mutant from cyanobacteria synechocystis sp. PCC 6803 | | Descriptor: | GLYCEROL, Orange carotenoid-binding protein, beta,beta-caroten-4-one | | Authors: | Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A. | | Deposit date: | 2010-04-05 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria.
J.Biol.Chem., 285, 2010
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6H5W
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3MGV
 | | Cre recombinase-DNA transition state | | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*TP*GP*CP*TP*AP*TP*AP*CP*GP*AP*AP*GP*TP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*G)-3'), Recombinase cre, ... | | Authors: | Gibb, B.P, Gupta, K, Ghosh, K, Sharp, R, Chen, J, Van Duyne, G.D. | | Deposit date: | 2010-04-07 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Requirements for catalysis in the Cre recombinase active site.
Nucleic Acids Res., 38, 2010
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6H5A
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2ZZL
 | | Structure of bacteriorhodopsin's M intermediate at pH 7 | | Descriptor: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, ... | | Authors: | Yamamoto, M, Kouyama, T. | | Deposit date: | 2009-02-18 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal Structures of Different Substates of Bacteriorhodopsin's M Intermediate at Various pH Levels.
J.Mol.Biol., 2009
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6GYR
 | | Transcription factor dimerization activates the p300 acetyltransferase | | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate | | Authors: | Panne, D, Ortega, E. | | Deposit date: | 2018-07-01 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Transcription factor dimerization activates the p300 acetyltransferase.
Nature, 562, 2018
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2VME
 | | Structure of the wild-type discoidin II from Dictyostelium discoideum | | Descriptor: | CALCIUM ION, CHLORIDE ION, DISCOIDIN-2, ... | | Authors: | Aragao, K.S, Satre, M, Imberty, A, Varrot, A. | | Deposit date: | 2008-01-25 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure Determination of Discoidin II from Dictyostelium Discoideum and Carbohydrate Binding Properties of the Lectin Domain.
Proteins, 73, 2008
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