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HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10
分子名称:	HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION
著者	Ren, J, Stammers, D.K, Stuart, D.I.
登録日	1998-07-29
公開日	1999-07-29
最終更新日	2024-11-13
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998

1RT4

HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781
分子名称:	2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
著者	Ren, J, Stammers, D.K, Stuart, D.I.
登録日	1998-07-29
公開日	1999-07-29
最終更新日	2024-11-13
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998

5I5S

X-RAY CRYSTAL STRUCTURE AT 2.06A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BENZISOXAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称:	1,2-ETHANEDIOL, 2-(1,2-benzoxazol-3-yl)ethanoic acid, Branched-chain-amino-acid aminotransferase, ...
著者	Somers, D.
登録日	2016-02-15
公開日	2016-03-23
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016

5LZ9

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
著者	Woolford, A, Day, P.
登録日	2016-09-29
公開日	2016-12-21
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

5LZ5

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者	Woolford, A.J.A, Day, P.J.
登録日	2016-09-29
公開日	2016-12-21
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

5LZ4

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者	Woolford, A, Day, P.
登録日	2016-09-29
公開日	2016-12-21
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.07 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

5LZ8

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者	Woolford, A, Day, P.
登録日	2016-09-29
公開日	2016-12-21
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.11 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

5LZ2

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	3-cyano-~{N}-cyclopropyl-benzenesulfonamide, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
著者	Woolford, A, Day, P.
登録日	2016-09-29
公開日	2016-12-21
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

5LZ7

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者	Woolford, A, Day, P.
登録日	2016-09-29
公開日	2016-12-21
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

5LYY

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase
著者	Woolford, A, Day, P.
登録日	2016-09-29
公開日	2016-12-21
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.17 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

1C1B

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	2024-10-30
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

1C1C

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	2024-11-20
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

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	2024-11-06
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

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	2024-10-30
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

5JAU

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAN

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.12 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAT

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAR

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.11 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAL

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAS

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAD

Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
分子名称:	CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者	Day, P.J, Woolford, A.J.-A.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAH

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	1,5,5-trimethylimidazolidine-2,4-dione, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAO

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine, CALCIUM ION, CHLORIDE ION, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

1RT2

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651
分子名称:	6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE
著者	Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D.
登録日	1996-03-16
公開日	1997-04-21
最終更新日	2024-11-20
実験手法	X-RAY DIFFRACTION (2.55 Å)
主引用文献	Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996

1RT3

AZT DRUG RESISTANT HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 1051U91
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, Stammers, D.K, Stuart, D.I.
登録日	1998-06-29
公開日	1999-02-16
最終更新日	2024-11-13
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	3'-Azido-3'-deoxythymidine drug resistance mutations in HIV-1 reverse transcriptase can induce long range conformational changes. Proc.Natl.Acad.Sci.USA, 95, 1998

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