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6K12
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BU of 6k12 by Molmil
Babesia microti lactate dehydrogenase apo form (BmLDH)
分子名称: L-lactate dehydrogenase
著者Long, Y.
登録日2019-05-09
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
6KA1
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BU of 6ka1 by Molmil
E.coli Malate dehydrogenase
分子名称: Malate dehydrogenase
著者Wang, H, Wang, M, Sun, H.
登録日2019-06-19
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献MDH is a major silver target in E. coli
To Be Published
6J9D
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BU of 6j9d by Molmil
Babesia microti lactate dehydrogenase R99A (BmLDHR99A)
分子名称: L-lactate dehydrogenase
著者Yu, L.
登録日2019-01-22
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.904 Å)
主引用文献Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
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
分子名称: (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, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB3
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BU of 6bb3 by Molmil
Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chen, Z, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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
分子名称: (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, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB2
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BU of 6bb2 by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
分子名称: (2S)-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, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAL
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BU of 6bal by Molmil
2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate
分子名称: (2S)-2-hydroxybutanedioic acid, CHLORIDE ION, Malate dehydrogenase
著者Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Satchell, K.J.F, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-10-13
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate
To Be Published
6BAG
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BU of 6bag by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
分子名称: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-12
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB0
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BU of 6bb0 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
分子名称: (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, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAZ
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BU of 6baz by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
分子名称: (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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
分子名称: (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, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-12
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6AOO
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BU of 6aoo by Molmil
2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae
分子名称: Malate dehydrogenase, SULFATE ION
著者Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-08-16
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae.
To Be Published
6CEP
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BU of 6cep by Molmil
Sus scrofa heart L-lactate dehydrogenase ternary complex with NADH and oxamate
分子名称: L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
著者Hoffer, E.D, Andrews, B, Dunham, C.M, Dyer, R.B.
登録日2018-02-12
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
Medchemcomm, 9, 2018
6CT6
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BU of 6ct6 by Molmil
Crystal structure of lactate dehydrogenase from Eimeria maxima with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Lactate dehydrogenase, OXAMIC ACID, ...
著者Wirth, J.D, Xu, C, Theobald, D.L.
登録日2018-03-22
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献The Mechanistic, Structural, and Evolutionary Origin of Lactate Dehydrogenase Substrate Specificity in Apicomplexa
To Be Published
4I1I
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BU of 4i1i by Molmil
Crystal structure of a putative Cytosolic malate dehydrogenase from Leishmania major Friedlin in complex with NAD
分子名称: 1,2-ETHANEDIOL, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-11-21
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a putative Cytosolic malate dehydrogenase from Leishmania major Friedlin in complex with NAD
TO BE PUBLISHED
4I9H
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BU of 4i9h by Molmil
Crystal structure of rabbit LDHA in complex with AP28669
分子名称: 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain
著者Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I8X
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BU of 4i8x by Molmil
Crystal structure of rabbit LDHA in complex with AP27460
分子名称: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-04
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9N
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BU of 4i9n by Molmil
Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
分子名称: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4JCO
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BU of 4jco by Molmil
1.7 A resolution structure of wild type malate dehydrogenase from haloarcula marismortui
分子名称: CHLORIDE ION, Malate dehydrogenase, SODIUM ION
著者Vellieux, F.M.D.
登録日2013-02-22
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 A resolution structure of wild type malate dehydrogenase from haloarcula marismortui
To be Published
4JNK
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BU of 4jnk by Molmil
Lactate Dehydrogenase A in complex with inhibitor compound 22
分子名称: (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, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-03-15
公開日2013-05-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
4KDE
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BU of 4kde by Molmil
Crystal Structure of the Apo Form of Thermus thermophilus Malate Dehydrogenase
分子名称: Malate dehydrogenase
著者Hsu, C.-H, Hong, C.-H, Chang, Y.-Y.
登録日2013-04-25
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Crystal structures and molecular dynamics simulations of thermophilic malate dehydrogenase reveal critical loop motion for co-substrate binding.
Plos One, 8, 2013
4KDF
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BU of 4kdf by Molmil
Crystal Structure of Thermus thermophilus Malate Dehydrogenase in Complex with NAD
分子名称: Malate dehydrogenase, SULFATE ION
著者Hsu, C.-H, Hong, C.-H, Chang, Y.-Y.
登録日2013-04-25
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.356 Å)
主引用文献Crystal structures and molecular dynamics simulations of thermophilic malate dehydrogenase reveal critical loop motion for co-substrate binding.
Plos One, 8, 2013
4I9U
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BU of 4i9u by Molmil
Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
分子名称: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4L4R
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BU of 4l4r by Molmil
Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme
分子名称: L-lactate dehydrogenase A chain
著者Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
登録日2013-06-09
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014

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件を2024-10-09に公開中

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