4IA0
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![BU of 4ia0 by Molmil](/molmil-images/mine/4ia0) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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4I9Z
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![BU of 4i9z by Molmil](/molmil-images/mine/4i9z) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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2BZ1
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![BU of 2bz1 by Molmil](/molmil-images/mine/2bz1) | CRYSTAL STRUCTURE OF APO E. COLI GTP CYCLOHYDROLASE II | Descriptor: | 2-AMINOETHANESULFONIC ACID, GLYCEROL, GTP CYCLOHYDROLASE II, ... | Authors: | Ren, J, Kotaka, M, Lockyer, M, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2005-08-09 | Release date: | 2005-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | GTP Cyclohydrolase II Structure and Mechanism. J.Biol.Chem., 280, 2005
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1TKX
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![BU of 1tkx by Molmil](/molmil-images/mine/1tkx) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745 | Descriptor: | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE, Pol polyprotein, Reverse transcriptase, ... | Authors: | Ren, J, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2. J.Med.Chem., 47, 2004
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2BZ0
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![BU of 2bz0 by Molmil](/molmil-images/mine/2bz0) | Crystal Structure of E. coli GTP cyclohydrolase II in complex with GTP analogue, GMPcPP, and Zinc | Descriptor: | GTP CYCLOHYDROLASE II, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Ren, J, Kotaka, M, Lockyer, M, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2005-08-09 | Release date: | 2005-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | GTP Cyclohydrolase II Structure and Mechanism. J.Biol.Chem., 280, 2005
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1S1X
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![BU of 1s1x by Molmil](/molmil-images/mine/1s1x) | Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
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1S1T
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![BU of 1s1t by Molmil](/molmil-images/mine/1s1t) | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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1S1V
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![BU of 1s1v by Molmil](/molmil-images/mine/1s1v) | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651 | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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1S1W
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![BU of 1s1w by Molmil](/molmil-images/mine/1s1w) | Crystal structure of V106A mutant HIV-1 reverse transcriptase in complex with UC-781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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1S1U
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![BU of 1s1u by Molmil](/molmil-images/mine/1s1u) | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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
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1C0U
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![BU of 1c0u by Molmil](/molmil-images/mine/1c0u) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934 | Descriptor: | (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) | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | Deposit date: | 1999-07-19 | Release date: | 2000-07-19 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | 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
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1C0T
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![BU of 1c0t by Molmil](/molmil-images/mine/1c0t) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326 | Descriptor: | (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) | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | Deposit date: | 1999-07-19 | Release date: | 2000-07-19 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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1KLM
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![BU of 1klm by Molmil](/molmil-images/mine/1klm) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152 | Descriptor: | (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R.M, Stammers, D.K, Stuart, D.I. | Deposit date: | 1997-03-17 | Release date: | 1998-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor. Proc.Natl.Acad.Sci.USA, 94, 1997
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1VRU
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![BU of 1vru by Molmil](/molmil-images/mine/1vru) | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | Descriptor: | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | Deposit date: | 1995-04-19 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes. Nat.Struct.Biol., 2, 1995
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1VRT
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![BU of 1vrt by Molmil](/molmil-images/mine/1vrt) | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | Descriptor: | 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 | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | Deposit date: | 1995-04-19 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes. Nat.Struct.Biol., 2, 1995
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6FJ3
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![BU of 6fj3 by Molmil](/molmil-images/mine/6fj3) | High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist. | Descriptor: | ACETIC ACID, CHLORIDE ION, OLEIC ACID, ... | Authors: | Ehrenmann, J, Schoppe, J, Klenk, C, Rappas, M, Kummer, L, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-01-19 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist. Nat. Struct. Mol. Biol., 25, 2018
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1RT6
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![BU of 1rt6 by Molmil](/molmil-images/mine/1rt6) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38 | Descriptor: | 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT7
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![BU of 1rt7 by Molmil](/molmil-images/mine/1rt7) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 | Descriptor: | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT4
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![BU of 1rt4 by Molmil](/molmil-images/mine/1rt4) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT5
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![BU of 1rt5 by Molmil](/molmil-images/mine/1rt5) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10 | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT3
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![BU of 1rt3 by Molmil](/molmil-images/mine/1rt3) | AZT DRUG RESISTANT HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 1051U91 | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-06-29 | Release date: | 1999-02-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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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1RT2
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![BU of 1rt2 by Molmil](/molmil-images/mine/1rt2) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651 | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | Deposit date: | 1996-03-16 | Release date: | 1997-04-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 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
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1RT1
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![BU of 1rt1 by Molmil](/molmil-images/mine/1rt1) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442 | Descriptor: | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | Deposit date: | 1996-03-16 | Release date: | 1997-04-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 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
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1REV
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![BU of 1rev by Molmil](/molmil-images/mine/1rev) | HIV-1 REVERSE TRANSCRIPTASE | Descriptor: | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | Authors: | Ren, J, Esnouf, R, Hopkins, A, Ross, C, Jones, Y, Stammers, D, Stuart, D. | Deposit date: | 1995-09-17 | Release date: | 1996-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of HIV-1 reverse transcriptase complexed with 9-chloro-TIBO: lessons for inhibitor design. Structure, 3, 1995
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1RTJ
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![BU of 1rtj by Molmil](/molmil-images/mine/1rtj) | MECHANISM OF INHIBITION OF HIV-1 REVERSE TRANSCRIPTASE BY NON-NUCLEOSIDE INHIBITORS | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Ross, C, Jones, Y, Stammers, D, Stuart, D. | Deposit date: | 1995-05-03 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors. Nat.Struct.Biol., 2, 1995
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