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6QFP
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SOLUTION NMR ENSEMBLE FOR MLBQ AT 298K COMPILED USING THE COMAND METHOD
Descriptor:Putative lipoprotein
Authors:ElGamacy, M., Truffault, V., Zhu, H., Coles, M.
Deposit date:2019-01-10
Release date:2019-04-10
Last modified:2019-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
6QH2
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SOLUTION NMR ENSEMBLE FOR A CHIMERIC KH-S1 DOMAIN CONSTRUCT OF EXOSOMAL POLYNUCLEOTIDE PHOSPHRYLASE AT 298K COMPILED USING THE COMAND METHOD
Descriptor:Polyribonucleotide nucleotidyltransferase
Authors:ElGamacy, M., Truffault, V., Zhu, H., Coles, M.
Deposit date:2019-01-14
Release date:2019-04-10
Last modified:2019-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
4IMB
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STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH 2-(1-METHYL-1H-INDOL-3-YL)ETHANAMINE
Descriptor:Strictosidine synthase, 2-(1-methyl-1H-indol-3-yl)ethanamine
Authors:Stoeckigt, J., Fangrui, W., Wang, M., Rajendran, C.
Deposit date:2013-01-02
Release date:2014-01-29
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
4IYG
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STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH 2-(1H-INDOL-3-YL)-N-METHYLETHANAMINE
Descriptor:Strictosidine synthase, 2-(1H-indol-3-yl)-N-methylethanamine
Authors:Stoeckigt, J., Fangrui, W., Wang, M., Rajendran, C.
Deposit date:2013-01-28
Release date:2014-01-29
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
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:2019-05-08
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:2019-05-08
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
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:2019-05-08
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:2019-05-08
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:2019-05-08
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:2019-05-08
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:2019-05-08
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
4CLI
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH PF- 06463922 ((10R)-7-AMINO-12-FLUORO-2,10,16-TRIMETHYL-15-OXO-10,15,16, 17-TETRAHYDRO-2H-8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11) BENZOXADIAZACYCLOTETRADECINE-3-CARBONITRILE).
Descriptor:ALK TYROSINE KINASE RECEPTOR, (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-14
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CLJ
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STRUCTURE OF L1196M MUTANT HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH PF-06463922 ((10R)-7-AMINO-12-FLUORO-2,10,16-TRIMETHYL- 15-OXO-10,15,16,17-TETRAHYDRO-2H-8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11) BENZOXADIAZACYCLOTETRADECINE-3-CARBONITRILE).
Descriptor:ALK TYROSINE KINASE RECEPTOR, (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-14
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CMO
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 2-((1R)-1-((3-AMINO-6-(2-METHOXYPYRIDIN-3-YL)PYRAZIN-2-YL) OXY)ETHYL)-4-FLUORO-N-METHYLBENZAMIDE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 2-[(1R)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-16
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CMT
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 3-((1R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)ETHOXY)- 5-(3-(METHYLSULFONYL)PHENYL)PYRIDIN-2-AMINE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-17
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CMU
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR (10R)-7-AMINO-12-FLUORO-1,3,10,16-TETRAMETHYL-16,17-DIHYDRO- 1H-8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11)BENZOXADIAZACYCLOTETRADECIN-15(10H)-ONE
Descriptor:ALK TYROSINE KINASE RECEPTOR, (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-17
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CNH
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 3-((1R)-1-(5-FLUORO-2-METHOXYPHENYL)ETHOXY)-5-(1-METHYL-1H- 1,2,3-TRIAZOL-5-YL)PYRIDIN-2-AMINE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1H-1,2,3-triazol-5-yl)pyridin-2-amine
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-22
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CTB
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR (5R)-8-AMINO-3-FLUORO-5,19-DIMETHYL-20-OXO-5,18,19,20- TETRAHYDRO-7,11-(AZENO)PYRIDO(2',1':2,3)IMIDAZO(4,5-H)(2,5,11) BENZOXADIAZACYCLOTETRADECINE-14-CARBONITRILE
Descriptor:ALK TYROSINE KINASE RECEPTOR, (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-03-12
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CTC
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 7-AMINO-3-CYCLOPROPYL-12-FLUORO-1,10,16-TRIMETHYL-16,17- DIHYDRO-1H-8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11) BENZOXADIAZACYCLOTETRADECIN-15(10H)-ONE
Descriptor:ALK TYROSINE KINASE RECEPTOR, (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-03-12
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4W2R
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STRUCTURE OF HS/ACPRC2 IN COMPLEX WITH 5,8-DICHLORO-2-[(4-METHOXY-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)METHYL]-7-[(R)-METHOXY(OXETAN-3-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Descriptor:Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, Polycomb protein SUZ12, ...
Authors:Gajiwala, K.S., Brooun, A., Liu, W., Deng, Y., Stewart, A.E.
Deposit date:2017-09-25
Release date:2017-12-27
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
5KZ0
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STRUCTURE OF HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 2-[(1R)-1-{[2-AMINO-5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)PYRIDIN-3-YL]OXY}ETHYL]-4-FLUORO-N,N-DIMETHYLBENZAMIDE
Descriptor:ALK tyrosine kinase receptor, 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide
Authors:McTigue, M., Deng, Y.L., Liu, W., Brooun, A.
Deposit date:2016-07-22
Release date:2016-08-17
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.
J. Med. Chem., 57, 2014
6B3W
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STRUCTURE OF HS/ACPRC2 IN COMPLEX WITH 5,8-DICHLORO-7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-[(4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Descriptor:Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, Polycomb protein SUZ12, ...
Authors:Gajiwala, K.S., Brooun, A., Liu, W., Deng, Y., Stewart, A.E.
Deposit date:2017-09-25
Release date:2017-12-27
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
2MKZ
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SOLUTION STRUCTURE OF A PROTEIN C-TERMINAL DOMAIN
Descriptor:Proteasomal ubiquitin receptor ADRM1
Authors:Feng, Y., Jiao, L.
Deposit date:2014-02-17
Release date:2014-12-31
Method:SOLUTION NMR
Cite:Mechanism of the Rpn13-induced activation of Uch37
Protein Cell, 5, 2014
5HSJ
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STRUCTURE OF TYROSINE DECARBOXYLASE COMPLEX WITH PLP AT 1.9 ANGSTROMS RESOLUTION
Descriptor:Putative decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Ni, Y., Zhou, J., Zhu, H., Zhang, K.
Deposit date:2016-01-25
Release date:2016-09-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
6CPW
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DISCOVERY OF 3(S)-THIOMETHYL PYRROLIDINE ERK INHIBITORS FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
Authors:Hruza, A., Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018