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2YB9
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CRYSTAL STRUCTURE OF HUMAN NEUTRAL ENDOPEPTIDASE COMPLEXED WITH A HETEROARYLALANINE DIACID.
Descriptor:NEPRILYSIN, ZINC ION, HETEROARYLALANINE 5-PHENYL OXAZOLE
Authors:Glossop, M.S., Bazin, R.J., Dack, K.N., Done, S., Fox, D.N.A., MacDonald, G.A., Mills, M., Owen, D.R., Phillips, C., Reeves, K.A., Ringer, T.J., Strang, R.S., Watson, C.A.L.
Deposit date:2011-03-02
Release date:2011-05-25
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and Evaluation of Heteroarylalanine Diacids as Potent and Selective Neutral Endopeptidase Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
5L3A
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FRAGMENT-BASED DISCOVERY OF 6-ARYLINDAZOLE JAK INHIBITORS
Descriptor:Tyrosine-protein kinase JAK2, ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide
Authors:Soerensen, M.D., Dack, K.N., Greve, D.R., Ritzen, A.
Deposit date:2016-04-06
Release date:2016-04-27
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors.
Acs Med.Chem.Lett., 7, 2016
2YFX
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STRUCTURE OF L1196M MUTANT ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CRIZOTINIB
Descriptor:TYROSINE-PROTEIN KINASE RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2011-04-08
Release date:2011-05-04
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2YHV
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STRUCTURE OF L1196M MUTANT ANAPLASTIC LYMPHOMA KINASE
Descriptor:ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2011-05-06
Release date:2011-05-18
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
3T3Y
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CRYSTAL STRUCTURE OF ALKB IN COMPLEX WITH FE(III) AND 2-(3-HYDROXYPICOLINOMIDO)ACETIC ACID
Descriptor:Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
Authors:Aik, W.S., McDonough, M.A., Schofield, C.J.
Deposit date:2011-07-25
Release date:2012-03-07
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T4H
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CRYSTAL STRUCTURE OF ALKB IN COMPLEX WITH FE(III) AND N-OXALYL-S-(3-NITROBENZYL)-L-CYSTEINE
Descriptor:Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Ma, J., Aik, W.S., McDonough, M.A., Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T4V
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CRYSTAL STRUCTURE OF ALKB IN COMPLEX WITH FE(III) AND N-OXALYL-S-(2-NAPTHALENEMETHYL)-L-CYSTEINE
Descriptor:Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine, ...
Authors:Aik, W.S., McDonough, M.A., Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
4ANL
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STRUCTURE OF G1269A MUTANT ANAPLASTIC LYMPHOMA KINASE
Descriptor:ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2012-03-20
Release date:2013-03-27
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4ANQ
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STRUCTURE OF G1269A MUTANT ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CRIZOTINIB
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2012-03-21
Release date:2013-03-27
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CCB
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 3-((R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)ETHOXY)-5-(5-METHYL-1H- PYRAZOL-4-YL)PYRIDIN-2-AMINE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2013-10-21
Release date:2014-01-29
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CCU
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 2-(5-(6-AMINO-5-((R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)ETHOXY) PYRIDIN-3-YL)-4-METHYLTHIAZOL-2-YL)PROPAN-2-OL
Descriptor:ALK TYROSINE KINASE RECEPTOR, 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2013-10-28
Release date:2014-01-29
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CD0
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STRUCTURE OF L1196M MUTANT HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 2-(5-(6-AMINO-5-((R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2- YL)PHENYL)ETHOXY)PYRIDIN-3-YL)-4-METHYLTHIAZOL-2-YL)PROPANE-1,2-DIOL
Descriptor:ALK TYROSINE KINASE RECEPTOR, (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2013-10-29
Release date:2014-01-29
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014