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3LXK
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STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF THE TYK2 AND JAK3 KINASE DOMAINS IN COMPLEX WITH CP-690550 AND CMP-6
Descriptor:Tyrosine-protein kinase JAK3, 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
Authors:Chrencik, J.E., Patny, A., Leung, I.K., Korniski, B., Emmons, T.L., Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXL
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STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF THE TYK2 AND JAK3 KINASE DOMAINS IN COMPLEX WITH CP-690550 AND CMP-6
Descriptor:Tyrosine-protein kinase JAK3, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE
Authors:Chrencik, J.E., Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXN
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STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF THE TYK2 AND JAK3 KINASE DOMAINS IN COMPLEX WITH CP-690550 AND CMP-6
Descriptor:Non-receptor tyrosine-protein kinase TYK2, 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
Authors:Chrencik, J.E., Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXP
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STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF THE TYK2 AND JAK3 KINASE DOMAINS IN COMPLEX WITH CP-690550 AND CMP-6
Descriptor:Non-receptor tyrosine-protein kinase TYK2, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE
Authors:Chrencik, J.E., Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
1NH3
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HUMAN TOPOISOMERASE I ARA-C COMPLEX
Descriptor:5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*UP*(UBB))-3', 5'-D(*(GNG)P*GP*AP*AP*AP*AP*AP*UP*UP*UP*UP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*UP*UP*UP*UP*CP*(CAR)P*AP*AP*GP*UP*CP*UP*UP*UP*UP*T)-3', ...
Authors:Chrencik, J.E., Burgin, A.B., Pommier, Y., Stewart, L., Redinbo, M.R.
Deposit date:2002-12-18
Release date:2003-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Impact of the Leukemia Drug 1-beta-D-Arabinofuranosylcytosine (Ara-C) on the Covalent Human Topoisomerase I-DNA Complex
J.Biol.Chem., 278, 2003
1RR8
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STRUCTURAL MECHANISMS OF CAMPTOTHECIN RESISTANCE BY MUTATIONS IN HUMAN TOPOISOMERASE I
Descriptor:5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*CP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', DNA topoisomerase I, ...
Authors:Chrencik, J.E., Staker, B.L., Burgin, A.B., Stewart, L., Redinbo, M.R.
Deposit date:2003-12-08
Release date:2004-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
1RRJ
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STRUCTURAL MECHANISMS OF CAMPTOTHECIN RESISTANCE BY MUTATIONS IN HUMAN TOPOISOMERASE I
Descriptor:5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*CP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', DNA topoisomerase I, ...
Authors:Chrencik, J.E., Staker, B.L., Burgin, A.B., Stewart, L., Redinbo, M.R.
Deposit date:2003-12-08
Release date:2004-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
1SKX
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STRUCTURAL DISORDER IN THE COMPLEX OF HUMAN PXR AND THE MACROLIDE ANTIBIOTIC RIFAMPICIN
Descriptor:Orphan nuclear receptor PXR, RIFAMPICIN
Authors:Chrencik, J.E., Xue, Y., Orans, J.O., Redinbo, M.R.
Deposit date:2004-03-05
Release date:2005-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
2BBA
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CRYSTAL STRUCTURE AND THERMODYNAMIC CHARACTERIZATION OF THE EPHB4 RECEPTOR IN COMPLEX WITH AN EPHRIN-B2 ANTAGONIST PEPTIDE REVEALS THE DETERMINANTS FOR RECEPTOR SPECIFICITY.
Descriptor:Ephrin type-B receptor 4, Agonist peptide, SULFATE ION
Authors:Chrencik, J.E., Kuhn, P., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2005-10-17
Release date:2006-07-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and thermodynamic characterization of the EphB4/Ephrin-B2 antagonist peptide complex reveals the determinants for receptor specificity.
Structure, 14, 2006
2HLE
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STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF THE EPHB4-EPHRINB2 PROTEIN PROTEIN INTERACTION AND RECEPTOR SPECIFICITY.
Descriptor:Ephrin type-B receptor 4, Ephrin-B2
Authors:Chrencik, J.E., Brooun, A., Kuhn, P., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2006-07-06
Release date:2006-08-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Biophysical Characterization of the EphB4-EphrinB2 Protein-Protein Interaction and Receptor Specificity.
J.Biol.Chem., 281, 2006
2QBX
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EPHB2/SNEW ANTAGONISTIC PEPTIDE COMPLEX
Descriptor:Ephrin type-B receptor 2, antagonistic peptide, SULFATE ION
Authors:Chrencik, J.E., Brooun, A., Recht, M.I., Nicola, G., Pasquale, E.B., Kuhn, P., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-06-18
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition.
J.Biol.Chem., 282, 2007
3BJI
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STRUCTURAL BASIS OF PROMISCUOUS GUANINE NUCLEOTIDE EXCHANGE BY THE T-CELL ESSENTIAL VAV1
Descriptor:Proto-oncogene vav, Ras-related C3 botulinum toxin substrate 1 precursor, ZINC ION
Authors:Chrencik, J.E., Brooun, A., Kuhn, P., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-04
Release date:2008-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of guanine nucleotide exchange mediated by the T-cell essential Vav1.
J.Mol.Biol., 380, 2008
4Z34
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CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID RECEPTOR 1 IN COMPLEX WITH ONO9780307
Descriptor:Lysophosphatidic acid receptor 1, Soluble cytochrome b562, {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid, ...
Authors:Chrencik, J.E., Roth, C.B., Terakado, M., Kurata, H., Omi, R., Kihara, Y., Warshaviak, D., Nakade, S., Asmar-Rovira, G., Mileni, M., Mizuno, H., Griffith, M.T., Rodgers, C., Han, G.W., Velasquez, J., Chun, J., Stevens, R.C., Hanson, M.A., GPCR Network (GPCR)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z35
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CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID RECEPTOR 1 IN COMPLEX WITH ONO-9910539
Descriptor:Lysophosphatidic acid receptor 1,Soluble cytochrome b562, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
Authors:Chrencik, J.E., Roth, C.B., Terakado, M., Kurata, H., Omi, R., Kihara, Y., Warshaviak, D., Nakade, S., Asmar-Rovira, G., Mileni, M., Mizuno, H., Griffith, M.T., Rodgers, C., Han, G.W., Velasquez, J., Chun, J., Stevens, R.C., Hanson, M.A., GPCR Network (GPCR)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z36
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CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID RECEPTOR 1 IN COMPLEX WITH ONO-3080573
Descriptor:Lysophosphatidic acid receptor 1,Soluble cytochrome b562, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
Authors:Chrencik, J.E., Roth, C.B., Terakado, M., Kurata, H., Omi, R., Kihara, Y., Warshaviak, D., Nakade, S., Asmar-Rovira, G., Mileni, M., Mizuno, H., Griffith, M.T., Rodgers, C., Han, G.W., Velasquez, J., Chun, J., Stevens, R.C., Hanson, M.A., GPCR Network (GPCR)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4DD8
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ADAM-8 METALLOPROTEINASE DOMAIN WITH BOUND BATIMASTAT
Descriptor:Disintegrin and metalloproteinase domain-containing protein 8, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, ...
Authors:Hall, T., Shieh, H.S., Day, J.E., Caspers, N., Chrencik, J.E., Williams, J.M., Pegg, L.E., Pauley, A.M., Moon, A.F., Krahn, J.M., Fischer, D.H., Kiefer, J.R., Tomasselli, A.G., Zack, M.D.
Deposit date:2012-01-18
Release date:2012-06-06
Last modified:2012-06-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of human ADAM-8 catalytic domain complexed with batimastat.
Acta Crystallogr.,Sect.F, 68, 2012
5TQ3
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DESIGN AND SYNTHESIS OF A PAN-JAK KINASE INHIBITOR CLINICAL CANDIDATE (PF-06263276) SUITABLE FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE LUNGS AND SKIN
Descriptor:Tyrosine-protein kinase JAK2, 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol
Authors:Chrencik, J., Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ4
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DESIGN AND SYNTHESIS OF A PAN-JAK KINASE INHIBITOR CLINICAL CANDIDATE (PF-06263276) SUITABLE FOR INHALED AND TOPICAL DELIVERY FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE LUNGS AND SKIN
Descriptor:Tyrosine-protein kinase JAK2, 6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide
Authors:Chrencik, J., Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ5
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DESIGN AND SYNTHESIS OF A PAN-JAK KINASE INHIBITOR CLINICAL CANDIDATE (PF-06263276) SUITABLE FOR INHALED AND TOPICAL DELIVERY FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE LUNGS AND SKIN
Descriptor:Tyrosine-protein kinase JAK2, 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
Authors:Chrencik, J., Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ6
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DESIGN AND SYNTHESIS OF A PAN-JAK KINASE INHIBITOR CLINICAL CANDIDATE (PF-06263276) SUITABLE FOR INHALED AND TOPICAL DELIVERY FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE LUNGS AND SKIN
Descriptor:Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
Authors:Chrencik, J., Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ7
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DESIGN AND SYNTHESIS OF A PAN-JAK KINASE INHIBITOR CLINICAL CANDIDATE (PF-06263276) SUITABLE FOR INHALED AND TOPICAL DELIVERY FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE LUNGS AND SKIN
Descriptor:Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone
Authors:Chrencik, J., Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ8
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DESIGN AND SYNTHESIS OF A PAN-JAK KINASE INHIBITOR CLINICAL CANDIDATE (PF-06263276) SUITABLE FOR INHALED AND TOPICAL DELIVERY FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE LUNGS AND SKIN
Descriptor:Tyrosine-protein kinase JAK2, {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2H-indazol-3-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone
Authors:Chrencik, J., Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017