6VTY
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5TXO
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![BU of 5txo by Molmil](/molmil-images/mine/5txo) | STRUCTURE OF Q151M complex (A62V, V75I, F77L, F116Y, Q151M) mutant HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | 著者 | Das, K, Martinez, S.M, Arnold, E. | 登録日 | 2016-11-17 | 公開日 | 2017-04-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.546 Å) | 主引用文献 | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance. Antimicrob. Agents Chemother., 61, 2017
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5TXM
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![BU of 5txm by Molmil](/molmil-images/mine/5txm) | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP | 分子名称: | 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | 著者 | Das, K, Martinez, S.M, Arnold, E. | 登録日 | 2016-11-17 | 公開日 | 2017-04-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance. Antimicrob. Agents Chemother., 61, 2017
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5GVN
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![BU of 5gvn by Molmil](/molmil-images/mine/5gvn) | Plasmodium vivax SHMT bound with PLP-glycine and GS653 | 分子名称: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVL
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![BU of 5gvl by Molmil](/molmil-images/mine/5gvl) | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | 分子名称: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVM
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![BU of 5gvm by Molmil](/molmil-images/mine/5gvm) | Plasmodium vivax SHMT bound with PLP-glycine and GS557 | 分子名称: | 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVK
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![BU of 5gvk by Molmil](/molmil-images/mine/5gvk) | Plasmodium vivax SHMT bound with PLP-glycine and GS256 | 分子名称: | 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5TBO
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![BU of 5tbo by Molmil](/molmil-images/mine/5tbo) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | 分子名称: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M. | 登録日 | 2016-09-12 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria. ACS Infect Dis, 2, 2016
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5GVP
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![BU of 5gvp by Molmil](/molmil-images/mine/5gvp) | Plasmodium vivax SHMT bound with PLP-glycine and GS654 | 分子名称: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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6CT2
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![BU of 6ct2 by Molmil](/molmil-images/mine/6ct2) | MYST histone acetyltransferase KAT6A/B in complex with WM-1119 | 分子名称: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ... | 著者 | Ren, B, Peat, T.S. | 登録日 | 2018-03-22 | 公開日 | 2018-08-01 | 最終更新日 | 2018-08-22 | 実験手法 | X-RAY DIFFRACTION (2.128 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6BA4
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![BU of 6ba4 by Molmil](/molmil-images/mine/6ba4) | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | 分子名称: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | 登録日 | 2017-10-12 | 公開日 | 2018-08-01 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6BA2
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![BU of 6ba2 by Molmil](/molmil-images/mine/6ba2) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor | 分子名称: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | 登録日 | 2017-10-11 | 公開日 | 2018-08-01 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.85003817 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6OIR
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![BU of 6oir by Molmil](/molmil-images/mine/6oir) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62 | 分子名称: | 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-04-09 | 公開日 | 2019-07-03 | 最終更新日 | 2019-08-21 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem., 62, 2019
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6OIP
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![BU of 6oip by Molmil](/molmil-images/mine/6oip) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34 | 分子名称: | 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-04-09 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem., 62, 2019
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6OIN
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![BU of 6oin by Molmil](/molmil-images/mine/6oin) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143 | 分子名称: | 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-04-09 | 公開日 | 2019-07-03 | 最終更新日 | 2019-08-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem., 62, 2019
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6OWI
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![BU of 6owi by Molmil](/molmil-images/mine/6owi) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85 | 分子名称: | GLYCEROL, Histone acetyltransferase KAT8, N'-[(2-fluorophenyl)sulfonyl]benzohydrazide, ... | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-05-09 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6OIQ
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![BU of 6oiq by Molmil](/molmil-images/mine/6oiq) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 63 | 分子名称: | 2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-04-09 | 公開日 | 2019-07-03 | 最終更新日 | 2019-08-21 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem., 62, 2019
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6OWH
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![BU of 6owh by Molmil](/molmil-images/mine/6owh) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-05-09 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6OIO
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![BU of 6oio by Molmil](/molmil-images/mine/6oio) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 | 分子名称: | Histone acetyltransferase KAT8, N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, ZINC ION | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-04-09 | 公開日 | 2019-07-03 | 最終更新日 | 2019-08-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem., 62, 2019
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3JSM
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![BU of 3jsm by Molmil](/molmil-images/mine/3jsm) | K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with tenofovir-diphosphate as the incoming nucleotide substrate | 分子名称: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ... | 著者 | Das, K, Arnold, E. | 登録日 | 2009-09-10 | 公開日 | 2009-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance. J.Biol.Chem., 284, 2009
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3SFK
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![BU of 3sfk by Molmil](/molmil-images/mine/3sfk) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM267 | 分子名称: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M. | 登録日 | 2011-06-13 | 公開日 | 2011-07-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structure-Guided Lead Optimization of Triazolopyrimidine-Ring Substituents Identifies Potent Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors with Clinical Candidate Potential. J.Med.Chem., 54, 2011
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4R5P
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![BU of 4r5p by Molmil](/molmil-images/mine/4r5p) | Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor | 分子名称: | 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ... | 著者 | Das, K, Martinez, S.E, Arnold, E. | 登録日 | 2014-08-21 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.894 Å) | 主引用文献 | Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics. Proc.Natl.Acad.Sci.USA, 112, 2015
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6PDB
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![BU of 6pdb by Molmil](/molmil-images/mine/6pdb) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDD
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![BU of 6pdd by Molmil](/molmil-images/mine/6pdd) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PT2
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![BU of 6pt2 by Molmil](/molmil-images/mine/6pt2) | Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ... | 著者 | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | 登録日 | 2019-07-14 | 公開日 | 2019-12-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists. Sci Adv, 5, 2019
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