Author results

2XCF
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, ZINC ION, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-22
公開日2010-06-02
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XCN
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-23
公開日2010-06-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XNI
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PROTEIN-LIGAND COMPLEX OF A NOVEL MACROCYCLIC HCV NS3 PROTEASE INHIBITOR DERIVED FROM AMINO CYCLIC BORONATES
分子名称:NS3 PROTEASE, NS4A COFACTOR, (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Zhou, Y., Li, Q., Plattner, J.J., Baker, S.J., Zhang, S., Kazmierski, W.M., Wright, L.L., Smith, G.K., Grimes, R.M., Crosby, R.M., Creech, K.L., Carballo, L.H., Slater, M.J., Jarvest, R.L., Thommes, P., Hubbard, J.A., Convery, M.A., Nassau, P.M., McDowell, W., Skarzynski, T.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., Pennicott, L.E., Zou, W., Wright, J.
登録日2010-08-02
公開日2011-08-17
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
5AGR
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CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT (S)-3-(AMINOMETHYL)-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
分子名称:LEUCINE--TRNA LIGASE, METHIONINE, LEUCINE, ...
著者Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGS
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CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
分子名称:LEUCYL-TRNA SYNTHETASE, METHIONINE, 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE
著者Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
登録日2015-02-03
公開日2016-03-09
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGT
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CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT (S)-3-(AMINOMETHYL)-4-CHLORO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
分子名称:LEUCINE--TRNA LIGASE, METHIONINE, 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, ...
著者Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
4JNK
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LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 22
分子名称:L-lactate dehydrogenase A chain, 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
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
4M49
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LACTATE DEHYDROGENASE A IN COMPLEX WITH A SUBSTITUTED PYRAZINE INHIBITOR COMPOUND 18
分子名称:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C., Ultsch, M.
登録日2013-08-06
公開日2013-09-04
最終更新日2013-10-02
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
4QO7
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LACTATE DEHYDROGENASE A IN COMPLEX WITH SUBSTITUTED 3-HYDROXY-2-MERCAPTOCYCLOHEX-2-ENONE COMPOUND 7
分子名称:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C., Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4QO8
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LACTATE DEHYDROGENASE A IN COMPLEX WITH SUBSTITUTED 3-HYDROXY-2-MERCAPTOCYCLOHEX-2-ENONE COMPOUND 104
分子名称:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C., Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4R68
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LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR COMPOUND 31
分子名称:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C., Ultsch, M.
登録日2014-08-22
公開日2014-12-24
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献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
4R69
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LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR COMPOUND 13
分子名称:L-lactate dehydrogenase A chain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Eigenbrot, C., Ultsch, M.
登録日2014-08-22
公開日2014-12-24
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献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
4RLS
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LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR COMPOUND 47
分子名称:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Eigenbrot, C., Ultsch, M.H.
登録日2014-10-17
公開日2014-11-12
最終更新日2014-12-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4ZK5
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MAP4K4 IN COMPLEX WITH INHIBITOR GNE-495
分子名称:Mitogen-activated protein kinase kinase kinase kinase 4, MAGNESIUM ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Harris, S.F., Wu, P., Coons, M.
登録日2015-04-29
公開日2015-09-02
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
5IXS
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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
分子名称:L-lactate dehydrogenase A chain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Ultsch, M., Eigenbrot, C.
登録日2016-03-23
公開日2016-09-14
最終更新日2016-11-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
5IXY
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LACTATE DEHYDROGENASE IN COMPLEX WITH HYDROXYLACTAM INHIBITOR COMPOUND 31: (2~{S})-5-(2-CHLOROPHENYL)SULFANYL-2-(4-MORPHOLIN-4-YLPHENYL)-4-OXIDANYL-2-THIOPHEN-3-YL-1,3-DIHYDROPYRIDIN-6-ONE
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Chen, Z., Eigenbrot, C.
登録日2016-03-23
公開日2016-09-14
最終更新日2016-11-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
6BAD
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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
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-12
公開日2018-10-17
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
6BAG
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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:L-lactate dehydrogenase A chain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-12
公開日2018-10-17
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
6BAX
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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:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
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
6BAZ
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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:L-lactate dehydrogenase A chain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
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
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
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
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
6BB1
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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:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
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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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:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
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
6BB3
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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:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Chen, Z., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
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