2Z77
 
 | | X-ray crystal structure of RV0760c from Mycobacterium tuberculosis in complex with estradiol-17beta-hemisuccinate | | Descriptor: | 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid, ACETATE ION, NICOTINAMIDE, ... | | Authors: | Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-08-16 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis Rv0760c at 1.50 A resolution, a structural homolog of Delta(5)-3-ketosteroid isomerase.
Biochim.Biophys.Acta, 1784, 2008
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3VMJ
 | | 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CHLORIDE ION, ... | | Authors: | Nagae, T, Watanabe, N. | | Deposit date: | 2011-12-13 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural analysis of 3-isopropylmalate dehydrogenase from the obligate piezophile Shewanella benthica DB21MT-2 and the nonpiezophile Shewanella oneidensis MR-1
Acta Crystallogr.,Sect.F, 68, 2012
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4K9V
 | | Complex of CYP3A4 with a desoxyritonavir analog | | Descriptor: | 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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2EAC
 | | Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complex with deoxyfuconojirimycin | | Descriptor: | (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, Alpha-fucosidase, CALCIUM ION | | Authors: | Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R. | | Deposit date: | 2007-01-31 | | Release date: | 2007-04-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
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3QVW
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-26 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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4K9G
 | | 1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a related compound | | Descriptor: | (4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one, 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one, CHLORIDE ION, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E.J. | | Deposit date: | 2013-04-19 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | ISO-66, a novel inhibitor of macrophage migration, shows efficacy in melanoma and colon cancer models.
INT J ONCOL., 45, 2014
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7CP5
 | | Bovine heart cytochrome c oxidase in a catalytic intermediate of E at 1.76 angstrom resolution | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimada, A. | | Deposit date: | 2020-08-06 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
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3TV7
 | | Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1 | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-09-19 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2).
Medchemcomm, 3, 2012
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7D5W
 | | Bovine heart cytochrome c oxidase in a catalytic intermediate of O at 1.84 angstrom resolution | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimada, A. | | Deposit date: | 2020-09-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
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7D5X
 | | Bovine heart cytochrome c oxidase in a catalytic intermediate, IO10, at 1.74 angstrom resolution | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimada, A. | | Deposit date: | 2020-09-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
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2GYD
 | | Complex of equine apoferritin with the H-diaziflurane photolabeling reagent | | Descriptor: | 2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANE, CADMIUM ION, ferritin L subunit | | Authors: | Loll, P.J, Rossi, M.J, Eckenhoff, R. | | Deposit date: | 2006-05-09 | | Release date: | 2006-06-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Photoactive analogues of the haloether anesthetics provide high-resolution features from low-affinity interactions.
Acs Chem.Biol., 1, 2006
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2BF7
 | | Leishmania major pteridine reductase 1 in complex with NADP and biopterin | | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2004-12-06 | | Release date: | 2005-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
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1GZB
 | | PEROXIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PEROXIDASE, ... | | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | | Deposit date: | 1996-11-13 | | Release date: | 1997-03-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pentacoordination of the heme iron of Arthromyces ramosus peroxidase shown by a 1.8 A resolution crystallographic study at pH 4.5.
FEBS Lett., 378, 1996
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4DBS
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid | | Descriptor: | 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
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1U2D
 | | Structre of transhydrogenaes (dI.NADH)2(dIII.NADPH)1 asymmetric complex | | Descriptor: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | | Authors: | Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B. | | Deposit date: | 2004-07-19 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase.
Biochemistry, 43, 2004
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2BFO
 | | Leishmania major pteridine reductase 1 in complex with NADPH | | Descriptor: | 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2004-12-10 | | Release date: | 2005-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
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2BI4
 | | Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli | | Descriptor: | CHLORIDE ION, FE (III) ION, LACTALDEHYDE REDUCTASE, ... | | Authors: | Montella, C, Bellsolell, L, Badia, J, Baldoma, L, Perez, R, Coll, M, Aguilar, J. | | Deposit date: | 2005-01-20 | | Release date: | 2005-07-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli
J.Bacteriol., 187, 2005
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3NE4
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2BFP
 | | Leishmania major pteridine reductase 1 in complex with NADP and tetrahydrobiopterin | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2004-12-10 | | Release date: | 2005-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
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2BFA
 | | Leishmania major pteridine reductase 1 in complex with NADP and CB3717 | | Descriptor: | 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2004-12-06 | | Release date: | 2005-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
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3SZB
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2IC3
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1U2G
 | | transhydrogenase (dI.ADPr)2(dIII.NADPH)1 asymmetric complex | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, ... | | Authors: | Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B. | | Deposit date: | 2004-07-19 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase.
Biochemistry, 43, 2004
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4E1G
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2CFY
 | | Crystal structure of human thioredoxin reductase 1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE 1 | | Authors: | Debreczeni, J.E, Johansson, C, Kavanagh, K, Savitsky, P, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U. | | Deposit date: | 2006-02-26 | | Release date: | 2006-03-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Human Thioredoxin Reductase 1
To be Published
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