2I3A
 
 | | Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase | | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2006-08-17 | | Release date: | 2006-08-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 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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2I3Y
 | | Crystal structure of human glutathione peroxidase 5 | | Descriptor: | 1,2-ETHANEDIOL, Epididymal secretory glutathione peroxidase | | Authors: | Kavanagh, K.L, Johansson, C, Rojkova, A, Umeano, C, Bunkoczi, G, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-08-21 | | Release date: | 2006-09-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human glutathione peroxidase 5
To be published
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3NVZ
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3-Aldehyde | | Descriptor: | 1H-INDOLE-3-CARBALDEHYDE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Cao, H, Hille, R. | | Deposit date: | 2010-07-08 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate orientation and specificity in xanthine oxidase: crystal structures of the enzyme in complex with indole-3-acetaldehyde and guanine.
Biochemistry, 53, 2014
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1FO4
 | | CRYSTAL STRUCTURE OF XANTHINE DEHYDROGENASE ISOLATED FROM BOVINE MILK | | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | | Authors: | Enroth, C, Eger, B.T, Okamoto, K, Nishino, T, Nishino, T, Pai, E.F. | | Deposit date: | 2000-08-24 | | Release date: | 2000-10-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion.
Proc.Natl.Acad.Sci.USA, 97, 2000
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2I5N
 | | 1.96 A X-ray structure of photosynthetic reaction center from Rhodopseudomonas viridis:Crystals grown by microfluidic technique | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Li, L, Mustafi, D, Fu, Q, Tereshko, V, Chen, D.L, Tice, J.D, Ismagilov, R.F. | | Deposit date: | 2006-08-25 | | Release date: | 2006-09-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Nanoliter microfluidic hybrid method for simultaneous screening and optimization validated with crystallization of membrane proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3NXY
 | | Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | Descriptor: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
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3NS1
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine | | Descriptor: | 9H-purine-6-thiol, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Cao, H, Pauff, J.M, Hille, R. | | Deposit date: | 2010-07-01 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid.
J.Biol.Chem., 285, 2010
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7KKW
 | | Neutron structure of Reduced Human MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ... | | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | | Deposit date: | 2020-10-28 | | Release date: | 2021-04-21 | | Last modified: | 2024-04-10 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
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6EN6
 | | Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. | | Descriptor: | (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D. | | Deposit date: | 2017-10-04 | | Release date: | 2018-03-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme.
J. Med. Chem., 61, 2018
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4AJN
 | | rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) propanedioic acid | | Descriptor: | (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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5FI9
 | | Closed form of murine Acid Sphingomyelinase in complex with bisphosphonate inhibitor AbPA | | Descriptor: | (1-azanyl-1-phosphono-decyl)phosphonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | Deposit date: | 2015-12-22 | | Release date: | 2016-07-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.543 Å) | | Cite: | Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
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4B7E
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-LEU PEPTIDE (20-MER) | | Descriptor: | CONSENSUS ANKYRIN REPEAT DOMAIN-LEU, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | | Authors: | Chowdhury, R, Ge, W, Schofield, C.J. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
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3FCO
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor | | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2008-11-21 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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4QO8
 | | Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 | | Descriptor: | (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2014-06-19 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
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6KIG
 | | Structure of cyanobacterial photosystem I-IsiA supercomplex | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-12 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex.
Nat.Plants, 6, 2020
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7EAO
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4F65
 | | Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine, Fibroblast growth factor receptor 1, ... | | Authors: | Norman, R.A, Breed, J, Ogg, D. | | Deposit date: | 2012-05-14 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Protein-Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase.
J.Med.Chem., 55, 2012
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1EL9
 | | COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLTHIO]ACETATE | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Wagner, M.A, Trickey, P, Chen, Z.-W, Mathews, F.S, Jorns, M.S. | | Deposit date: | 2000-03-13 | | Release date: | 2000-12-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Monomeric sarcosine oxidase: 1. Flavin reactivity and active site binding determinants.
Biochemistry, 39, 2000
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1Y7P
 | | 1.9 A Crystal Structure of a Protein of Unknown Function AF1403 from Archaeoglobus fulgidus, Probable Metabolic Regulator | | Descriptor: | Hypothetical protein AF1403, ZINC ION, beta-D-ribopyranose | | Authors: | Zhang, R, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-12-09 | | Release date: | 2005-02-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9A crystal structure of a hypothetical protein AF1403 from Archaeoglobus fulgidus
To be Published
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1EQH
 | | THE 2.7 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH FLURBIPROFEN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, PROSTAGLANDIN H2 SYNTHASE-1, ... | | Authors: | Loll, P.J, Selinsky, B.S, Gupta, K, Sharkey, C.T. | | Deposit date: | 2000-04-04 | | Release date: | 2001-04-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
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5VKM
 | | Crystal structure of human CD22 Ig domains 1-3 in complex with alpha 2-6 sialyllactose | | Descriptor: | B-cell receptor CD22, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | | Authors: | Julien, J.P, Ereno-Orbea, J, Sicard, T. | | Deposit date: | 2017-04-21 | | Release date: | 2017-10-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular basis of human CD22 function and therapeutic targeting.
Nat Commun, 8, 2017
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4EAM
 | | 1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ... | | Authors: | Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J. | | Deposit date: | 2012-03-22 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
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5GQV
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4GQS
 | | Structure of Human Microsomal Cytochrome P450 (CYP) 2C19 | | Descriptor: | (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone, Cytochrome P450 2C19, GLYCEROL, ... | | Authors: | Reynald, R.L, Sansen, S, Stout, C.D, Johnson, E.F. | | Deposit date: | 2012-08-23 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural Characterization of Human Cytochrome P450 2C19: ACTIVE SITE DIFFERENCES BETWEEN P450s 2C8, 2C9, AND 2C19.
J.Biol.Chem., 287, 2012
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1SQI
 | | Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases | | Descriptor: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE, 4-hydroxyphenylpyruvic acid dioxygenase, FE (III) ION | | Authors: | Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A. | | Deposit date: | 2004-03-18 | | Release date: | 2004-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004
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