Author results

4C3G
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CRYO-EM STRUCTURE OF ACTIVATED AND OLIGOMERIC RESTRICTION ENDONUCLEASE SGRAI
Descriptor:SGRAIR RESTRICTION ENZYME, 5'-D(*GP*AP*TP*GP*CP*GP*TP*GP*GP*GP*TP*CP*TP*TP *CP*AP*CP*AP)-3', 5'-D(*CP*CP*GP*GP*TP*GP*TP*GP*AP*AP*GP*AP*CP*CP *CP*AP*CP*GP*CP*AP*TP*CP)-3'
Authors:Lyumkis, D., Talley, H., Stewart, A., Shah, S., Park, C.K., Tama, F., Potter, C.S., Carragher, B., Horton, N.C.
Deposit date:2013-08-23
Release date:2013-09-11
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Allosteric Regulation of DNA Cleavage and Sequence-Specificity Through Run-on Oligomerization.
Structure, 21, 2013
4I1Z
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CRYSTAL STRUCTURE OF THE MONOMERIC (V948R) FORM OF THE GEFITINIB/ERLOTINIB RESISTANT EGFR KINASE DOMAIN L858R+T790M
Descriptor:Epidermal growth factor receptor
Authors:Gajiwala, K.S., Feng, J., Ferre, R., Ryan, K., Brodsky, O., Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I20
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CRYSTAL STRUCTURE OF MONOMERIC (V948R) PRIMARY ONCOGENIC MUTANT L858R EGFR KINASE DOMAIN
Descriptor:Epidermal growth factor receptor
Authors:Gajiwala, K.S., Feng, J., Ferre, R., Ryan, K., Brodsky, O., Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I21
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CRYSTAL STRUCTURE OF L858R + T790M EGFR KINASE DOMAIN IN COMPLEX WITH MIG6 PEPTIDE
Descriptor:Epidermal growth factor receptor, ERBB receptor feedback inhibitor 1
Authors:Gajiwala, K.S., Feng, J., Ferre, R., Ryan, K., Brodsky, O., Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I22
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STRUCTURE OF THE MONOMERIC (V948R)GEFITINIB/ERLOTINIB RESISTANT DOUBLE MUTANT (L858R+T790M) EGFR KINASE DOMAIN CO-CRYSTALLIZED WITH GEFITINIB
Descriptor:Epidermal growth factor receptor, Gefitinib, SULFATE ION
Authors:Gajiwala, K.S., Feng, J., Ferre, R., Ryan, K., Brodsky, O., Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I23
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CRYSTAL STRUCTURE OF THE WILD-TYPE EGFR KINASE DOMAIN IN COMPLEX WITH DACOMITINIB (SOAKED)
Descriptor:Epidermal growth factor receptor, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
Authors:Gajiwala, K.S., Feng, J., Ferre, R., Ryan, K., Brodsky, O., Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I24
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STRUCTURE OF T790M EGFR KINASE DOMAIN CO-CRYSTALLIZED WITH DACOMITINIB
Descriptor:Epidermal growth factor receptor, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
Authors:Gajiwala, K.S., Feng, J., Ferre, R., Ryan, K., Brodsky, O., Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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
5WHR
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DISCOVERY OF A NOVEL AND SELECTIVE IDO-1 INHIBITOR PF-06840003 AND ITS CHARACTERIZATION AS A POTENTIAL CLINICAL CANDIDATE.
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Authors:Greasley, S.E., Kaiser, S.E., Feng, J.L., Stewart, A.
Deposit date:2017-07-18
Release date:2017-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
4UXL
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STRUCTURE OF HUMAN ROS1 KINASE DOMAIN IN COMPLEX WITH PF-06463922
Descriptor:PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS, (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., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2014-08-25
Release date:2015-03-11
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FDL
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CRYSTAL STRUCTURE OF K103N/Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH IDX899
Descriptor:P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
Authors:Dousson, C.B., Alexandre, F.-R., Convard, T., Fisher, M., Lamers, M.B.A.C., Leonard, P.M.
Deposit date:2015-12-16
Release date:2016-02-17
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
1UW5
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STRUCTURE OF PITP-ALPHA COMPLEXED TO PHOSPHATIDYLINOSITOL
Descriptor:PHOSPHATIDYLINOSITOL TRANSFER PROTEIN ALPHA ISOFORM, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL
Authors:Tilley, S.J., Skippen, A., Murray-Rust, J., Cockcroft, S., McDonald, N.Q.
Deposit date:2004-01-30
Release date:2004-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Function Analysis of Human [Corrected] Phosphatidylinositol Transfer Protein Alpha Bound to Phosphatidylinositol.
Structure, 12, 2004
3ZBF
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STRUCTURE OF HUMAN ROS1 KINASE DOMAIN IN COMPLEX WITH CRIZOTINIB
Descriptor:PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS, 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., Stewart, A.
Deposit date:2012-11-08
Release date:2013-06-12
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1
N.Engl.J.Med., 368, 2013
5A9U
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STRUCTURE OF C1156Y 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., Deng, Y.-L., Liu, W., Brooun, A., Stewart, A.
Deposit date:2015-07-22
Release date:2016-06-08
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AA8
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STRUCTURE OF C1156Y,L1198F 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., Deng, Y.-L., Liu, W., Brooun, A., Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AA9
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STRUCTURE OF L1198F 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., Deng, Y.-L., Liu, W., Brooun, A., Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAA
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STRUCTURE OF L1198F MUTANT HUMAN 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., Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAB
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STRUCTURE OF C1156Y,L1198F MUTANT HUMAN 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., Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAC
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STRUCTURE OF C1156Y MUTANT HUMAN 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., Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
4AGD
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-DIETHYLAMINOETHYL)-5-((Z)-(5- FLUORO-2-OXO-1H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROLE-3- CARBOXAMIDE)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-01-26
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ASD
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SORAFENIB (BAY 43-9006)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-04-30
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ASE
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, TIVOZANIB
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-04-30
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4U01
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HCV NS3/4A SERINE PROTEASE IN COMPLEX WITH 6570
Descriptor:Non-structural 3 protease, NS4A protein, (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, ...
Authors:Parsy, C.C., Alexandre, F.-R., Brandt, G., Caillet, C., Chaves, D., Derock, M., Gloux, D., Griffon, Y., Lallos, L.B., Leroy, F., Liuzzi, M., Loi, A.-G., Mayes, B., Moulat, L., Moussa, A., Chiara, M., Roques, V., Rosinovsky, E., Seifer, M., Stewart, A., Wang, J., Standring, D., Surleraux, D.
Deposit date:2014-07-11
Release date:2015-07-29
Last modified:2015-11-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.
Bioorg.Med.Chem.Lett., 25, 2015
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