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6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
分子名称: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S, Wilson, J.E.
登録日2019-12-11
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
1VRU
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BU of 1vru by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-04-19
公開日1996-04-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1VRT
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BU of 1vrt by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-04-19
公開日1996-04-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
6V90
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BU of 6v90 by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
分子名称: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S.
登録日2019-12-12
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8K
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BU of 6v8k by Molmil
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
分子名称: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Gardberg, A.S.
登録日2019-12-11
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8B
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BU of 6v8b by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1
分子名称: 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S.
登録日2019-12-10
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
1BDG
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BU of 1bdg by Molmil
HEXOKINASE FROM SCHISTOSOMA MANSONI COMPLEXED WITH GLUCOSE
分子名称: HEXOKINASE, SULFATE ION, alpha-D-glucopyranose
著者Mulichak, A.M, Garavito, R.M.
登録日1998-05-08
公開日1999-05-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of mammalian hexokinase-1.
Nat.Struct.Biol., 5, 1998
1BG3
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BU of 1bg3 by Molmil
RAT BRAIN HEXOKINASE TYPE I COMPLEX WITH GLUCOSE AND INHIBITOR GLUCOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, HEXOKINASE, ...
著者Mulichak, A.M, Garavito, R.M.
登録日1998-06-04
公開日1999-06-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of mammalian hexokinase-1.
Nat.Struct.Biol., 5, 1998
1FKO
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BU of 1fko by Molmil
CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ...
著者Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
登録日2000-08-10
公開日2000-11-03
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
1FK9
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BU of 1fk9 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ...
著者Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
登録日2000-08-09
公開日2000-11-03
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
STRUCTURE FOLD.DES., 8, 2000
1FKP
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BU of 1fkp by Molmil
CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT, A-CHAIN, ...
著者Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
登録日2000-08-10
公開日2000-11-03
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
1C1B
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BU of 1c1b by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186
分子名称: 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
著者Hopkins, A.L, Ren, J, Tanaka, H, Baba, B, Okamato, M, Stuart, D.I, Stammers, D.K.
登録日1999-07-21
公開日2000-07-21
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
1C0U
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BU of 1c0u by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934
分子名称: (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
著者Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K.
登録日1999-07-19
公開日2000-07-19
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
1C0T
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BU of 1c0t by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326
分子名称: (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
著者Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K.
登録日1999-07-19
公開日2000-07-19
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
1C1C
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BU of 1c1c by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123
分子名称: 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
著者Hopkins, A.L, Ren, J, Tanaka, H, Baba, M, Okamato, M, Stuart, D.I, Stammers, D.K.
登録日1999-07-21
公開日2000-07-21
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
1DTT
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BU of 1dtt by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94)
分子名称: HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
著者Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K.
登録日2000-01-13
公開日2000-04-02
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
1DTQ
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BU of 1dtq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94)
分子名称: HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
著者Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K.
登録日2000-01-13
公開日2000-03-20
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
1EP4
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BU of 1ep4 by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with S-1153
分子名称: 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Nichols, C, Bird, L.E, Fujiwara, T, Suginoto, H, Stuart, D.I, Stammers, D.K.
登録日2000-03-27
公開日2000-09-27
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding.
J.Biol.Chem., 275, 2000
1S1X
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Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1U
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Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1W
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Crystal structure of V106A mutant HIV-1 reverse transcriptase in complex with UC-781
分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1RTH
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BU of 1rth by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-05-03
公開日1996-04-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1S1T
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BU of 1s1t by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781
分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1V
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BU of 1s1v by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651
分子名称: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1TKT
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318
分子名称: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004

 

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