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3FNM
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CRYSTAL STRUCTURE OF ACIVICIN-INHIBITED GAMMA-GLUTAMYLTRANSPEPTIDASE REVEALS CRITICAL ROLES FOR ITS C-TERMINUS IN AUTOPROCESSING AND CATALYSIS
Descriptor:Gamma-glutamyltranspeptidase (Ggt) Large subunit, Gamma-glutamyltranspeptidase (Ggt) Small subunit, (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID
Authors:Williams, K., Cullati, S., Sand, A., Biterova, E.I., Barycki, J.J.
Deposit date:2008-12-25
Release date:2009-05-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Acivicin-Inhibited gamma-Glutamyltranspeptidase Reveals Critical Roles for Its C-Terminus in Autoprocessing and Catalysis.
Biochemistry, 48, 2009
4RVM
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CHK1 KINASE DOMAIN WITH DIAZACARBAZOLE COMPOUND 19
Descriptor:Serine/threonine-protein kinase Chk1, 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Authors:Gazzard, L., Blackwood, E., Burton, B., Chapman, K., Chen, H., Crackett, P., Drobnick, J., Ellwood, C., Epler, J., Flagella, M., Goodacre, S., Halladay, J., Hunt, H., Kintz, S., Lyssikatos, J., MacLeod, C., Ramiscal, S., Schmidt, S., Seward, E., Wiesmann, C., Williams, K., Wu, P., Yee, S., Yen, I., Malek, S.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
5KNL
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CRYSTAL STRUCTURE OF S. POMBE UBIQUITIN E1 (UBA1) IN COMPLEX WITH UBC15 AND UBIQUITIN
Descriptor:Ubiquitin-activating enzyme E1 1, Ubiquitin, Ubiquitin-conjugating enzyme E2 15, ...
Authors:Olsen, S.K., Lv, Z., Yuan, L., Williams, K.
Deposit date:2016-06-28
Release date:2017-02-15
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:S. pombe Uba1-Ubc15 Structure Reveals a Novel Regulatory Mechanism of Ubiquitin E2 Activity.
Mol. Cell, 65, 2017
4QYE
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CHK1 KINASE DOMAIN IN COMPLEX WITH DIARYLPYRAZINE COMPOUND 1
Descriptor:Serine/threonine-protein kinase Chk1, 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
Authors:Appleton, B., Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYF
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CHK1 KINASE DOMAIN IN COMPLEX WITH AMINOPYRAZINE COMPOUND 13
Descriptor:Serine/threonine-protein kinase Chk1, 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
Authors:Appleton, B., Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYG
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CHK1 KINASE DOMAIN IN COMPLEX WITH DIAZACARBAZOLE COMPOUND 14
Descriptor:Serine/threonine-protein kinase Chk1, 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid
Authors:Wiesmann, C., Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYH
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CHK1 KINASE DOMAIN IN COMPLEX WITH DIAZACARBAZOLE GNE-783
Descriptor:Serine/threonine-protein kinase Chk1, 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Authors:Wiesmann, C., Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
5WAL
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IDENTIFICATION OF AN IMIDAZOPYRIDINE SCAFFOLD TO GENERATE POTENT AND SELECTIVE TYK2 INHIBITORS THAT DEMONSTRATE ACTIVITY IN AN IN VIVO PSORIASIS MODEL
Descriptor:Non-receptor tyrosine-protein kinase TYK2, N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
Authors:Ultsch, M.H., Magnuson, S.
Deposit date:2017-06-26
Release date:2017-09-06
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
5WEV
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IDENTIFICATION OF AN IMIDAZOPYRIDINE SCAFFOLD TO GENERATE POTENT AND SELECTIVE TYK2 INHIBITORS THAT DEMONSTRATE ACTIVITY IN AN IN VIVO PSORIASIS MODEL
Descriptor:Tyrosine-protein kinase JAK2, N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
Authors:Ultsch, M.H., Magnuson, S.
Deposit date:2017-07-10
Release date:2017-09-06
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
4RVK
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CHK1 KINASE DOMAIN WITH DIAZACARBAZOLE COMPOUND 8: N-[3-(6-CYANO-9H-PYRROLO[2,3-B:5,4-C']DIPYRIDIN-3-YL)PHENYL]ACETAMIDE
Descriptor:Serine/threonine-protein kinase Chk1, N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Authors:Wiesmann, C., Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RVL
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CHK1 KINASE DOMAIN WITH DIAZACARBAZOLE COMPOUND 7: 3-(2-HYDROXYPHENYL)-9H-PYRROLO[2,3-B:5,4-C']DIPYRIDINE-6-CARBONITRILE
Descriptor:Serine/threonine-protein kinase Chk1, 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Authors:Wiesmann, C., Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
5WMA
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N-TERMINAL BROMODOMAIN OF BRD4 IN COMPLEX WITH PLX5981
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
5WMD
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N-TERMINAL BROMODOMAIN OF BRD4 IN COMPLEX WITH OTX-015
Descriptor:Bromodomain-containing protein 4, 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
5WMG
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N-TERMINAL BROMODOMAIN OF BRD4 IN COMPLEX WITH OTX-015
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
2QM6
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CRYSTAL STRUCTURE OF HELICOBACTER PYLORI GAMMA-GLUTAMYLTRANSPEPTIDASE IN COMPLEX WITH GLUTAMATE
Descriptor:Gamma-glutamyltranspeptidase, GLUTAMIC ACID
Authors:Barycki, J.J., Sand, A., Boanca, G.
Deposit date:2007-07-14
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of Helicobacter pylori gamma-glutamyltranspeptidase reveals the molecular basis for substrate specificity and a critical role for the tyrosine 433-containing loop in catalysis.
Biochemistry, 46, 2007
2QMC
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CRYSTAL STRUCTURE OF HELICOBACTER PYLORI GAMMA-GLUTAMYLTRANSPEPTIDASE T380A MUTANT
Descriptor:Gamma-glutamyltranspeptidase, S-(P-NITROBENZYL)GLUTATHIONE
Authors:Barycki, J.J., Boanca, G., Sand, A.
Deposit date:2007-07-15
Release date:2008-02-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Characterization of Helicobacter pylori gamma-glutamyltranspeptidase reveals the molecular basis for substrate specificity and a critical role for the tyrosine 433-containing loop in catalysis.
Biochemistry, 46, 2007
4GMX
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CRYSTAL STRUCTURE OF KPT185 IN COMPLEX WITH CRM1-RAN-RANBP1
Descriptor:GTP-binding nuclear protein Ran, Ran-specific GTPase-activating protein 1, Exportin-1, ...
Authors:Sun, Q., Chook, Y.M.
Deposit date:2012-08-16
Release date:2012-10-17
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective inhibitors of nuclear export show that CRM1/XPO1 is a target in chronic lymphocytic leukemia.
Blood, 120, 2012
5JLJ
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CRYSTAL STRUCTURE OF KPT8602 IN COMPLEX WITH CRM1-RAN-RANBP1
Descriptor:GTP-binding nuclear protein Ran, Ran-specific GTPase-activating protein 1, Exportin-1, ...
Authors:Fung, H.Y., Chook, Y.M.
Deposit date:2016-04-27
Release date:2016-06-29
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016