2YHV
 
 | |
7MXN
 | | PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999 | | 分子名称: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | 登録日 | 2021-05-19 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
|
|
7MX7
 | | PRMT5:MEP50 complexed with inhibitor PF-06939999 | | 分子名称: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | 登録日 | 2021-05-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
|
|
7MXC
 | | PRMT5:MEP50 complexed with adenosine | | 分子名称: | ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | 登録日 | 2021-05-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
|
|
7MXA
 | | PRMT5:MEP50 complexed with inhibitor PF-06855800 | | 分子名称: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | 登録日 | 2021-05-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.713 Å) | | 主引用文献 | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
|
|
7MXG
 | | PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800 | | 分子名称: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | 登録日 | 2021-05-19 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | | 主引用文献 | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
|
|
3ZBF
 | | Structure of Human ROS1 Kinase Domain in Complex with Crizotinib | | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2012-11-08 | | 公開日 | 2013-06-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1
N.Engl.J.Med., 368, 2013
|
|
7L1U
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | | 分子名称: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
|
|
7L1V
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | | 分子名称: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
|
|
4CCU
 | | 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 | | 分子名称: | 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, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-28 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
|
|
4CCB
 | | 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 | | 分子名称: | 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-21 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
|
|
4CD0
 | | 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 | | 分子名称: | (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, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-29 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
|
|
1P31
 | | Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae | | 分子名称: | MAGNESIUM ION, UDP-N-acetylmuramate--alanine ligase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | | 著者 | Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V. | | 登録日 | 2003-04-16 | | 公開日 | 2003-07-15 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
|
|
1P3D
 | | Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP. | | 分子名称: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--alanine ligase, ... | | 著者 | Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V. | | 登録日 | 2003-04-17 | | 公開日 | 2003-07-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
|
|
4ANL
 | |
4ANQ
 | | Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A. | | 登録日 | 2012-03-21 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
|
|
1P74
 | | CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE | | 分子名称: | Shikimate 5-dehydrogenase | | 著者 | Ye, S, von Delft, F, Brooun, A, Knuth, M.W, Swanson, R.V, McRee, D.E. | | 登録日 | 2003-04-30 | | 公開日 | 2003-08-12 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The crystal structure of shikimate dehydrogenase (AroE) reveals a unique NADPH binding mode
J.Bacteriol., 185, 2003
|
|
1P77
 | | CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE | | 分子名称: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ACETATE ION, Shikimate 5-dehydrogenase | | 著者 | Ye, S, von Delft, F, Brooun, A, Knuth, M.W, Swanson, R.V, McRee, D.E. | | 登録日 | 2003-04-30 | | 公開日 | 2003-08-12 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The crystal structure of shikimate dehydrogenase (AroE) reveals a unique NADPH binding mode
J.Bacteriol., 185, 2003
|
|
1RQI
 | | Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Dimethylallyl S-Thiolodiphosphate | | 分子名称: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, DIPHOSPHATE, Geranyltranstransferase, ... | | 著者 | Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J. | | 登録日 | 2003-12-05 | | 公開日 | 2004-03-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
|
|
4ANS
 | | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A. | | 登録日 | 2012-03-22 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
To be Published
|
|
1RTR
 | | Crystal Structure of S. Aureus Farnesyl Pyrophosphate Synthase | | 分子名称: | geranyltranstransferase | | 著者 | Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J. | | 登録日 | 2003-12-10 | | 公開日 | 2004-03-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Mol.Biol., 279, 2004
|
|
1RQJ
 | | Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate | | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ... | | 著者 | Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J. | | 登録日 | 2003-12-05 | | 公開日 | 2004-03-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
|
|
4CLJ
 | | 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). | | 分子名称: | (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, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | 登録日 | 2014-01-14 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | 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
|
|
4CLI
 | | 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). | | 分子名称: | (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, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | 登録日 | 2014-01-14 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 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
 | | 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 | | 分子名称: | 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1H-1,2,3-triazol-5-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | 登録日 | 2014-01-22 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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
|
|
