Author results

3TTJ
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CRYSTAL STRUCTURE OF JNK3 COMPLEXED WITH CC-359, A JNK INHIBITOR FOR THE PREVENTION OF ISCHEMIA-REPERFUSION INJURY
Descriptor:Mitogen-activated protein kinase 10, 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine
Authors:Plantevin-Krenitsky, V., Delgado, M., Nadolny, L., Sahasrabudhe, K., Ayala, S., Clareen, S., Hilgraf, R., Albers, R., Kois, A., Hughes, K., Wright, J., Nowakowski, J., Sudbeck, E., Ghosh, S., Bahmanyar, S., Chamberlain, P., Muir, J., Cathers, B.E., Giegel, D., Xu, L., Celeridad, M., Moghaddam, M., Khatsenko, O., Omholt, P., Katz, J., Pai, S., Fan, R., Tang, Y., Shirley, M.A., Benish, B., Blease, K., Raymon, H., Bhagwat, S., Bennett, B., Satoh, Y.
Deposit date:2011-09-14
Release date:2012-01-25
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
1JKH
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CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)
Descriptor:HIV-1 RT, A-CHAIN, B-CHAIN, ...
Authors:Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Deposit date:2001-07-12
Release date:2001-10-03
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLA
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CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651
Descriptor:HIV-1 RT A-chain, HIV-1 RT B-chain, 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
Authors:Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLB
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CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor:HIV-1 RT A-chain, HIV-1 RT B-chain, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLC
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CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2
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., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLE
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CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE
Descriptor:HIV-1 RT, A-CHAIN, B-CHAIN
Authors:Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLF
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CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor:HIV-1 RT A-chain, HIV-1 RT B-chain, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLG
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CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781
Descriptor:HIV-1 RT A-chain, HIV-1 RT B-chain, 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE
Authors:Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
3TTI
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CRYSTAL STRUCTURE OF JNK3 COMPLEXED WITH CC-930, AN ORALLY ACTIVE ANTI-FIBROTIC JNK INHIBITOR
Descriptor:Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol, GLYCEROL
Authors:Plantevin-Krenitsky, V., Nadolny, L., Delgado, M., Ayala, L., Clareen, S., Hilgraf, R., Albers, R., Hegde, S., D'Sidocky, N., Sapienza, J., Wright, J., McCarrick, M., Bahmanyar, S., Chamberlain, P., Delker, S.L., Muir, J., Giegel, D., Xu, L., Celeridad, M., Lachowitzer, J., Bennett, B., Moghaddam, M., Khatsenko, O., Katz, J., Fan, R., Bai, A., Tang, Y., Shirley, M.A., Benish, B., Bodine, T., Blease, K., Raymon, H., Cathers, B.E., Satoh, Y.
Deposit date:2011-09-14
Release date:2012-02-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4OTD
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN
Descriptor:Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTG
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN IN COMPLEX WITH LESTAURTINIB
Descriptor:Serine/threonine-protein kinase N1, Lestaurtinib
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTH
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN IN COMPLEX WITH RO-31-8220
Descriptor:Serine/threonine-protein kinase N1, BISINDOLYLMALEIMIDE IX
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTI
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN IN COMPLEX WITH TOFACITINIB
Descriptor:Serine/threonine-protein kinase N1, 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
1S1T
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CRYSTAL STRUCTURE OF L100I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781
Descriptor:Reverse transcriptase, PHOSPHATE ION, 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE
Authors:Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2011-07-13
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
1S1U
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CRYSTAL STRUCTURE OF L100I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor:Reverse transcriptase, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2011-07-13
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
1S1V
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CRYSTAL STRUCTURE OF L100I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651
Descriptor:Reverse transcriptase, 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
Authors:Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2011-07-13
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
1S1W
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CRYSTAL STRUCTURE OF V106A MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781
Descriptor:Reverse transcriptase, 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE
Authors:Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2011-07-13
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
1S1X
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CRYSTAL STRUCTURE OF V108I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor:Reverse transcriptase, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2011-07-13
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
5V3O
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CEREBLON IN COMPLEX WITH DDB1 AND CC-220
Descriptor:DNA damage-binding protein 1, Protein cereblon, (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, ...
Authors:Matyskiela, M., Pagarigan, B., Chamberlain, P.
Deposit date:2017-03-07
Release date:2017-05-03
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A Cereblon Modulator (CC-220) with Improved Degradation of Ikaros and Aiolos.
J. Med. Chem., 61, 2018
1LW0
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CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor:HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
Deposit date:2002-05-30
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LW2
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CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91
Descriptor:HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION, 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE
Authors:Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
Deposit date:2002-05-30
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LWC
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CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor:HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
Deposit date:2002-05-31
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LWE
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CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE
Descriptor:HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
Deposit date:2002-05-31
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LWF
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CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE
Descriptor:HIV-1 REVERSE TRANSCRIPTASE, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Authors:Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
Deposit date:2002-05-31
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1TKT
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318
Descriptor:Pol polyproteins [Reverse transcriptase], Chain A, Chain B, ...
Authors:Hopkins, A.L., Ren, J., Stuart, D.I., Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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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