6GUS
 
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6GUT
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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: | 2011-07-13 | | 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
 | | 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: | 2011-07-13 | | 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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1RTI
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | Descriptor: | 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE, 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: | 1995-05-03 | | Release date: | 1996-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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1RTH
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | 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, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | Deposit date: | 1995-05-03 | | Release date: | 1996-04-03 | | Last modified: | 2011-07-13 | | 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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2O2U
 | | Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | | Descriptor: | Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | | Authors: | Somers, D, Rowland, P. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
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5LP1
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5I5S
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5BWR
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7BDE
 | | HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137 | | Descriptor: | 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2020-12-21 | | Release date: | 2021-07-28 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2.044 Å) | | Cite: | GSK137, a potent small-molecule BCL6 inhibitor with in vivo activity, suppresses antibody responses in mice.
J.Biol.Chem., 297, 2021
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3MPT
 | | Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide | | Authors: | Somers, D.O. | | Deposit date: | 2010-04-27 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase.
Bioorg.Med.Chem.Lett., 20, 2010
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1DTT
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | | Authors: | 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. | | Deposit date: | 2000-01-13 | | Release date: | 2000-04-02 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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1DTQ
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA | | Authors: | 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. | | Deposit date: | 2000-01-13 | | Release date: | 2000-03-20 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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4KIO
 | | Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor | | Descriptor: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2013-05-02 | | Release date: | 2013-08-21 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.
J.Biol.Chem., 288, 2013
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2O0U
 | | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide | | Descriptor: | Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE | | Authors: | Rowland, P, Somers, D. | | Deposit date: | 2006-11-28 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
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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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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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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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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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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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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: | 2011-07-13 | | 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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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
 | | 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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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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