2YJ1
 
 | | Puma BH3 foldamer in complex with Bcl-xL | | 分子名称: | ALPHA-BETA-PUMA BH3 FOLDAMER, BCL-2-LIKE PROTEIN 1 | | 著者 | Lee, E.F, Smith, B.J, Horne, W.S, Mayer, K.N, Evangelista, M, Colman, P.M, Gellman, S.H, Fairlie, W.D. | | 登録日 | 2011-05-18 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structural Basis of Bcl-Xl Recognition by a Bh3-Mimetic Alpha-Beta-Peptide Generated Via Sequence-Based Design
Chembiochem, 12, 2011
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2Y6W
 | | Structure of a Bcl-w dimer | | 分子名称: | BCL-2-LIKE PROTEIN 2, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL | | 著者 | Lee, E.F, Evangelista, M, Pettikiriarachchi, A, Dogovski, C, Perugini, M.A, Colman, P.M, Fairlie, W.D. | | 登録日 | 2011-01-27 | | 公開日 | 2011-10-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of a Bcl-W Domain-Swapped Dimer: Implications for the Function of Bcl-2 Family Proteins.
Structure, 19, 2011
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3QBR
 | | BakBH3 in complex with sjA | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Bcl-2 homologous antagonist/killer, SJCHGC06286 protein | | 著者 | Lee, E.F, Clarke, O.B, Fairlie, W.D, Colman, P.M, Evangelista, M, Feng, Z, Speed, T.P, Tchoubrieva, E, Strasser, A, Kalinna, B. | | 登録日 | 2011-01-13 | | 公開日 | 2011-04-13 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Discovery and molecular characterization of a Bcl-2-regulated cell death pathway in schistosomes.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4ZVV
 | | Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140 | | 分子名称: | (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, ... | | 著者 | Li, Y, Chen, Z, Eigenbrot, C. | | 登録日 | 2015-05-18 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
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7RP3
 | | Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ... | | 著者 | Oh, A, Tam, C, Wang, W. | | 登録日 | 2021-08-03 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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7RP2
 | | Crystal structure of Kas G12C in complex with 2H11 CLAMP | | 分子名称: | 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ... | | 著者 | Oh, A, Tam, C, Wang, W. | | 登録日 | 2021-08-03 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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7RP4
 | | Crystal structure of KRAS G12C in complex with GNE-1952 | | 分子名称: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Oh, A, Tam, C, Wang, W. | | 登録日 | 2021-08-03 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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6DCO
 | | Bcl-xL complex with Beclin 1 BH3 domain T108D | | 分子名称: | Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION | | 著者 | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | | 登録日 | 2018-05-07 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
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7MDP
 | | KRas G12C in complex with G-2897 | | 分子名称: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | | 著者 | Oh, A, Frank, Y, Wang, W. | | 登録日 | 2021-04-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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6V4M
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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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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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5AGX
 | | Bcl-2 alpha beta-1 LINEAR complex | | 分子名称: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | | 著者 | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | 登録日 | 2015-02-04 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
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5AGW
 | | Bcl-2 alpha beta-1 complex | | 分子名称: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | | 著者 | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | 登録日 | 2015-02-04 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.695 Å) | | 主引用文献 | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
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8UN5
 | | KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one) | | 分子名称: | (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ... | | 著者 | Ultsch, M.H. | | 登録日 | 2023-10-18 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8UN3
 | | KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) | | 分子名称: | 1,2-ETHANEDIOL, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, CHLORIDE ION, ... | | 著者 | Ultsch, M.H. | | 登録日 | 2023-10-18 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8UN4
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5FMJ
 | | Bcl-xL with mouse Bak BH3 Q75L complex | | 分子名称: | 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1 | | 著者 | Fairlie, W.D, Lee, E.F, Smith, B.J. | | 登録日 | 2015-11-06 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
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5FMI
 | | Human Bak Q77L | | 分子名称: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ZINC ION | | 著者 | Fairlie, W.D, Lee, E.F, Smith, B.J. | | 登録日 | 2015-11-06 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | | 主引用文献 | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
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5FMK
 | | Bcl-xL with Bak BH3 complex | | 分子名称: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL | | 著者 | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | | 登録日 | 2015-11-06 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.731 Å) | | 主引用文献 | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
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7JGV
 | | CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2 | | 分子名称: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | | 著者 | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | | 登録日 | 2020-07-19 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
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7JGW
 | | Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1 | | 分子名称: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | | 著者 | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | | 登録日 | 2020-07-19 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
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6BB1
 | | 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
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6BB2
 | | 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
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6BAG
 | | 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
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