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PDB: 43 results

5W8J
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Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
Descriptor: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Lukacs, C.M, Moulin, A.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8K
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Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8H
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Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
Descriptor: 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
4JNK
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Lactate Dehydrogenase A in complex with inhibitor compound 22
Descriptor: (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-15
Release date:2013-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
4RLS
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BU of 4rls by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 47
Descriptor: (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Eigenbrot, C, Ultsch, M.H.
Deposit date:2014-10-17
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
6MV8
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BU of 6mv8 by Molmil
LDHA structure in complex with inhibitor 14
Descriptor: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C.E, Ultsch, M, Wei, B.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based Optimization of Potent, Cell-Active Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
6BB0
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Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
5W8I
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Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
Descriptor: 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Abendroth, J.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8L
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BU of 5w8l by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
6Q13
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CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2019-08-02
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
4QO8
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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
6MVA
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BU of 6mva by Molmil
LDHA structure in complex with inhibitor 14
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C.E, Ultsch, M, Wei, B.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-based Optimization of Potent, Cell-Active Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
6Q0D
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CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Dranow, D.M, Davies, D.R.
Deposit date:2019-08-01
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
5IXS
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BU of 5ixs by Molmil
Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2016-03-23
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
4M49
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BU of 4m49 by Molmil
Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-08-06
Release date:2013-09-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
6BAD
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BU of 6bad by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
4L4R
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BU of 4l4r by Molmil
Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme
Descriptor: L-lactate dehydrogenase A chain
Authors:Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
Deposit date:2013-06-09
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
4OKN
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BU of 4okn by Molmil
Crystal structure of human muscle L-lactate dehydrogenase, ternary complex with NADH and oxalate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, KANAMYCIN A, L-lactate dehydrogenase A chain, ...
Authors:Kolappan, S, Craig, L.
Deposit date:2014-01-22
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
4R68
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BU of 4r68 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 31
Descriptor: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-08-22
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4QO7
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BU of 4qo7 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 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:2023-12-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4ZVV
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BU of 4zvv by Molmil
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
Descriptor: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Li, Y, Chen, Z, Eigenbrot, C.
Deposit date:2015-05-18
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
6BB1
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BU of 6bb1 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
1I10
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BU of 1i10 by Molmil
HUMAN MUSCLE L-LACTATE DEHYDROGENASE M CHAIN, TERNARY COMPLEX WITH NADH AND OXAMATE
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, L-LACTATE DEHYDROGENASE M CHAIN, ...
Authors:Read, J.A, Winter, V.J, Eszes, C.M, Sessions, R.B, Brady, R.L.
Deposit date:2001-01-30
Release date:2001-03-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for altered activity of M- and H-isozyme forms of human lactate dehydrogenase.
Proteins, 43, 2001
8FW6
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BU of 8fw6 by Molmil
Human Lactate Dehydrogenase A in Complex with Inhibitor CHK-336
Descriptor: (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Lowther, W.T, Gumpena, R.
Deposit date:2023-01-20
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Human Lactate Dehydrogenase A in complex with inhibitor CHK-336
To Be Published

 

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