1S18
| Structure and protein design of human apyrase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Dai, J, Liu, J, Deng, Y, Smith, T.M, Lu, M. | Deposit date: | 2004-01-05 | Release date: | 2004-03-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and protein design of a human platelet function inhibitor. Cell(Cambridge,Mass.), 116, 2004
|
|
1S1D
| Structure and protein design of human apyrase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Dai, J, Liu, J, Deng, Y, Smith, T.M, Lu, M. | Deposit date: | 2004-01-06 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and protein design of a human platelet function inhibitor. Cell(Cambridge,Mass.), 116, 2004
|
|
1T8Z
| Atomic Structure of A Novel Tryptophan-Zipper Pentamer | Descriptor: | DODECAETHYLENE GLYCOL, Major outer membrane lipoprotein, SULFATE ION | Authors: | Liu, J, Yong, W, Deng, Y, Kallenbach, N.R, Lu, M. | Deposit date: | 2004-05-13 | Release date: | 2004-11-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic structure of a tryptophan-zipper pentamer. Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
1IA8
| THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1 | Descriptor: | CHK1 CHECKPOINT KINASE, SULFATE ION | Authors: | Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M. | Deposit date: | 2001-03-22 | Release date: | 2001-04-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation. Cell(Cambridge,Mass.), 100, 2000
|
|
6DCG
| Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
|
|
4AGD
| 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: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | 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: | 2023-12-20 | 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
| Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006) | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | 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: | 2023-12-20 | 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
| CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) | Descriptor: | TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | 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: | 2023-12-20 | 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
|
|
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 | Descriptor: | 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 | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-28 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | 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
| 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: | (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 | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | 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
|
|
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 | Descriptor: | 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 | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-21 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | 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
|
|
4MOD
| Structure of the MERS-CoV fusion core | Descriptor: | HR1 of S protein, LINKER, HR2 of S protein | Authors: | Gao, J, Lu, G, Qi, J, Li, Y, Wu, Y, Deng, Y, Geng, H, Xiao, H, Tan, W, Yan, J, Gao, G.F. | Deposit date: | 2013-09-12 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure of the fusion core and inhibition of fusion by a heptad repeat peptide derived from the S protein of Middle East respiratory syndrome coronavirus. J.Virol., 87, 2013
|
|
8SIO
| Crystal structure of PRMT3 with YD1-66 | Descriptor: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine, Protein arginine N-methyltransferase 3 | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | Deposit date: | 2023-04-16 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of PRMT3 with YD1-66 To be published
|
|
8SHB
| Crystal Structure of PRMT3 with Compound YD1-208 | Descriptor: | 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-13 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of PRMT3 with Compound YD1-208 To be published
|
|
8SIG
| Crystal Structure of PRMT4 with Compound YD1-288 | Descriptor: | 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ... | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-16 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of PRMT4 with Compound YD1-288 To be published
|
|
8SHR
| Crystal Structure of PRMT3 with Compound YD1-214 | Descriptor: | 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of PRMT3 with Compound YD1-214 To be published
|
|
8SIH
| Crystal Structure of PRMT4 with Compound YD1-289 | Descriptor: | 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1 | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-16 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of PRMT4 with Compound YD1-289 To be published
|
|
3ZBF
| Structure of Human ROS1 Kinase Domain in Complex with Crizotinib | Descriptor: | 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 | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2012-11-08 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1 N.Engl.J.Med., 368, 2013
|
|
3ZZE
| Crystal structure of C-MET kinase domain in complex with N'-((3Z)-4- chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(4- hydroxyphenyl)propanohydrazide | Descriptor: | (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Deng, Y, Ryan, K, Cui, J.J. | Deposit date: | 2011-08-31 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer. J.Med.Chem., 55, 2012
|
|
4ANL
| |
4ANS
| Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 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 | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2012-03-22 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib To be Published
|
|
4AGC
| CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl- vinyl)-1H-indazol-6-ylsulfanyl)-benzamide) | Descriptor: | AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | Authors: | Mctigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Kania, R.S. | Deposit date: | 2012-01-26 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 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
|
|
4ANQ
| Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 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 | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2012-03-21 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | 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
|
|
2YFX
| Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2011-04-08 | Release date: | 2011-05-04 | Last modified: | 2023-12-20 | 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
|
|
2YJR
| |