6BB0
 
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6BAZ
 | | 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
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6BAX
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6BAD
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6BB3
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5KX5
 | | Crystal structure of tubulin-stathmin-TTL-Compound 11 complex | | 分子名称: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | 著者 | Parris, K. | | 登録日 | 2016-07-20 | | 公開日 | 2016-12-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads.
ACS Med Chem Lett, 7, 2016
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5IXY
 | | 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: | (2~{S})-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, ... | | 著者 | Chen, Z, Eigenbrot, C. | | 登録日 | 2016-03-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 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
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5IXS
 | | 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: | (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, ... | | 著者 | Ultsch, M, Eigenbrot, C. | | 登録日 | 2016-03-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 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
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1H4A
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1HK0
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3DBS
 | | Structure of PI3K gamma in complex with GDC0941 | | 分子名称: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Wiesmann, C, Ultsch, M. | | 登録日 | 2008-06-02 | | 公開日 | 2008-06-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
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3KFT
 | | Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1,4,5,6-tetrahydro NADH | | 分子名称: | FLAVIN MONONUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pentaerythritol tetranitrate reductase | | 著者 | Pudney, C.R, Levy, C.W, Leys, D, Scrutton, N.S. | | 登録日 | 2009-10-28 | | 公開日 | 2010-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction.
J.Am.Chem.Soc., 131, 2009
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1LIH
 | | THREE-DIMENSIONAL STRUCTURES OF THE LIGAND-BINDING DOMAIN OF THE BACTERIAL ASPARTATE RECEPTOR WITH AND WITHOUT A LIGAND | | 分子名称: | 1,10-PHENANTHROLINE, ASPARTATE RECEPTOR | | 著者 | Kim, S.-H, Scott, W, Yeh, J.I, Prive, G.G, Milburn, M. | | 登録日 | 1995-04-18 | | 公開日 | 1995-09-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Three-dimensional structures of the ligand-binding domain of the bacterial aspartate receptor with and without a ligand.
Science, 254, 1991
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1ZZL
 | | Crystal structure of P38 with triazolopyridine | | 分子名称: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 | | 著者 | McClure, K.F, Han, S. | | 登録日 | 2005-06-14 | | 公開日 | 2005-09-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase.
J.Med.Chem., 48, 2005
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | 分子名称: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | 著者 | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | 登録日 | 2018-02-15 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.262 Å) | | 主引用文献 | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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3GX9
 | | Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD | | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase | | 著者 | Lafite, P, Scrutton, N.S, Leys, D. | | 登録日 | 2009-04-02 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure
Chembiochem, 10, 2009
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8HEV
 | | C12 portal in HCMV B-capsid | | 分子名称: | Portal protein, Unknown peptide | | 著者 | Li, Z, Yu, X. | | 登録日 | 2022-11-08 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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8HEU
 | | C12 portal in HCMV A-capsid | | 分子名称: | Portal protein | | 著者 | Li, Z, Yu, X. | | 登録日 | 2022-11-08 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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8HEY
 | | One CVSC-binding penton vertex in HCMV B-capsid | | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | | 著者 | Li, Z, Yu, X. | | 登録日 | 2022-11-09 | | 公開日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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8HEX
 | | C5 portal vertex in HCMV B-capsid | | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | | 著者 | Li, Z, Yu, X. | | 登録日 | 2022-11-08 | | 公開日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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8ODT
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2R14
 | | Structure of morphinone reductase in complex with tetrahydroNAD | | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase | | 著者 | Costello, C.L, Scrutton, N.S, Leys, D. | | 登録日 | 2007-08-22 | | 公開日 | 2008-07-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms.
J.Am.Chem.Soc., 129, 2007
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5LTZ
 | | GmhA_mutant Q175E | | 分子名称: | 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Vivoli, M, Harmer, N.J. | | 登録日 | 2016-09-07 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
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4EZJ
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4EZK
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