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3EWU
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D312N MUTANT OF HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-ACETYL-UMP, COVALENT ADDUCT
Descriptor:Orotidine-5'-phosphate decarboxylase, GLYCEROL, 6-ethyluridine 5'-phosphate, ...
Authors:Heinrich, D., Wittmann, J., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWW
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D312N MUTANT OF HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-CYANO-UMP, COVALENT ADDUCT
Descriptor:Orotidine-5'-phosphate decarboxylase, GLYCEROL, 6-[(E)-iminomethyl]uridine 5'-phosphate
Authors:Heinrich, D., Wittmann, J., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWX
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K314A MUTANT OF HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-AZIDO-UMP, DEGRADED TO BMP
Descriptor:Orotidine-5'-phosphate decarboxylase, 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL
Authors:Heinrich, D., Wittmann, J., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWY
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K314A MUTANT OF HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE SOAKED WITH OMP, DECARBOXYLATED TO UMP
Descriptor:Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE, GLYCEROL
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWZ
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HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 5-CYANO-UMP
Descriptor:Orotidine-5'-phosphate decarboxylase, SULFATE ION, 5-CYANO-URIDINE-5'-MONOPHOSPHATE
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EX1
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HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE SOAKED WITH 6-CYANO-UMP, CONVERTED TO UMP
Descriptor:Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EX2
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HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-CYANO-UMP
Descriptor:Orotidine-5'-phosphate decarboxylase, 6-cyanouridine 5'-phosphate, GLYCEROL
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EX3
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HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-AZIDO-UMP, COVALENT ADDUCT
Descriptor:Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE, GLYCEROL
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EX4
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HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH BMP
Descriptor:Orotidine-5'-phosphate decarboxylase, 6-HYDROXYURIDINE-5'-PHOSPHATE
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EX6
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D312N MUTANT OF HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-AZIDO-UMP, COVALENT ADDUCT
Descriptor:Orotidine-5'-phosphate decarboxylase, GLYCEROL, SULFATE ION, ...
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3L0K
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HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-ACETYL-UMP
Descriptor:Uridine 5'-monophosphate synthase, 6-acetyluridine 5'-phosphate, GLYCEROL
Authors:Heinrich, D., Diederichsen, U., Rudolph, M.
Deposit date:2009-12-10
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3L0N
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HUMAN OROTIDYL-5'-MONOPHOSPHATE DECARBOXYLASE IN COMPLEX WITH 6-MERCAPTO-UMP
Descriptor:Uridine 5'-monophosphate synthase, 6-sulfanyluridine-5'-phosphate
Authors:Heinrich, D., Wittmann, J., Diederichsen, U., Rudolph, M.
Deposit date:2009-12-10
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
4FA3
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CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH (R)-1-(NAPHTHALEN-2-YLSULFONYL)PIPERIDINE-3-CARBOXYLIC ACID (86)
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, ...
Authors:Turnbull, A.P., Jamieson, S.M.F., Brooke, D.G., Heinrich, D., Atwell, G.J., Silva, S., Hamilton, E.J., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Flanagan, J.U., Denny, W.A.
Deposit date:2012-05-21
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAL
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CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH 3-((3,4-DIHYDROISOQUINOLIN-2(1H)-YL)SULFONYL)-N-METHYLBENZAMIDE (80)
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, ...
Authors:Turnbull, A.P., Jamieson, S.M.F., Brooke, D.G., Heinrich, D., Atwell, G.J., Silva, S., Hamilton, E.J., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Flanagan, J.U., Denny, W.A.
Deposit date:2012-05-22
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAM
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CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH 3-((3,4-DIHYDROISOQUINOLIN-2(1H)-YL)SULFONYL)BENZOIC ACID (17)
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, ...
Authors:Turnbull, A.P., Jamieson, S.M.F., Brooke, D.G., Heinrich, D., Atwell, G.J., Silva, S., Hamilton, E.J., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Flanagan, J.U., Denny, W.A.
Deposit date:2012-05-22
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4H7C
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CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH 1-{4-[(2-METHYL-1-PIPERIDINYL)SULFONYL]PHENYL}-2-PYRROLIDINONE
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one
Authors:Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A.
Deposit date:2012-09-20
Release date:2013-03-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Eur.J.Med.Chem., 62C, 2013
2QCC
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF HUMAN UMP SYNTHASE, APO FORM
Descriptor:Orotidine 5'- phosphate decarboxylase (OMPdecase), SULFATE ION, GLYCEROL
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCD
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF HUMAN UMP SYNTHASE BOUND TO UMP
Descriptor:Uridine 5'-monophosphate synthase (UMP synthase), URIDINE-5'-MONOPHOSPHATE
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCE
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF HUMAN UMP SYNTHASE BOUND TO SULFATE, GLYCEROL, AND CHLORIDE
Descriptor:Uridine 5'-monophosphate synthase (UMP synthase), SULFATE ION, CHLORIDE ION, ...
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCF
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN (ASP312ASN MUTANT) OF HUMAN UMP SYNTHASE BOUND TO 5-FLUORO-UMP
Descriptor:Uridine 5'-monophosphate synthase (UMP synthase), 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCG
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF HUMAN UMP SYNTHASE BOUND TO 5-BROMO-UMP
Descriptor:Uridine 5'-monophosphate synthase (UMP synthase), 5-BROMO-URIDINE-5'-MONOPHOSPHATE
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCH
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF HUMAN UMP SYNTHASE BOUND TO 5-IODO-UMP
Descriptor:Uridine 5'-monophosphate synthase (UMP synthase), IODIDE ION, 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ...
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCL
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN (ASP312ASN MUTANT) OF HUMAN UMP SYNTHASE BOUND TO OMP
Descriptor:Uridine 5'-monophosphate synthase (UMP synthase), OROTIDINE-5'-MONOPHOSPHATE, GLYCEROL
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCM
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CRYSTAL STRUCTURE OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN (ASP312ASN MUTANT) OF HUMAN UMP SYNTHASE BOUND TO 6-HYDROXYMETHYL-UMP
Descriptor:Uridine 5'-monophosphate synthase (UMP synthase), 6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE)
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCN
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COVALENT COMPLEX OF THE OROTIDINE-5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF HUMAN UMP SYNTHASE WITH 6-IODO-UMP
Descriptor:Uridine 5'-monophosphate synthase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Wittmann, J., Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008