1VTL
 
 | |
8D73
 | | Crystal Structure of EGFR LRTM with compound 7 | | Descriptor: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | | Authors: | Kim, J.L. | | Deposit date: | 2022-06-07 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer.
J.Med.Chem., 65, 2022
|
|
8D76
 | | Crystal Structure of EGFR LRTM with compound 24 | | Descriptor: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | | Authors: | Kim, J.L. | | Deposit date: | 2022-06-07 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer.
J.Med.Chem., 65, 2022
|
|
8UWR
 | | Crystal structure of human ACVR1 (ALK2) kinase in complex with compound 3 | | Descriptor: | Activin receptor type-1, SULFATE ION, cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone | | Authors: | Kim, J.L. | | Deposit date: | 2023-11-07 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | An ALK2 inhibitor, BLU-782, prevents heterotopic ossification in a mouse model of fibrodysplasia ossificans progressiva.
Sci Transl Med, 16, 2024
|
|
8UWN
 | | Crystal structure of human CLK1 kinase in complex with compound 3 | | Descriptor: | Dual specificity protein kinase CLK1, SULFATE ION, cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone | | Authors: | Kim, J.L. | | Deposit date: | 2023-11-07 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An ALK2 inhibitor, BLU-782, prevents heterotopic ossification in a mouse model of fibrodysplasia ossificans progressiva.
Sci Transl Med, 16, 2024
|
|
4XCU
 | | Crystal Structure of FGFR4 with an Irreversible Inhibitor | | Descriptor: | Fibroblast growth factor receptor 4, N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide, SULFATE ION | | Authors: | Kim, J.L, Miduturu, C, Hodous, B, Brooijmans, N, Bifulco, N, Guzi, T. | | Deposit date: | 2014-12-18 | | Release date: | 2015-04-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | First Selective Small Molecule Inhibitor of FGFR4 for the Treatment of Hepatocellular Carcinomas with an Activated FGFR4 Signaling Pathway.
Cancer Discov, 5, 2015
|
|
1A1R
 | | HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX | | Descriptor: | NS3 PROTEIN, NS4A PROTEIN, ZINC ION | | Authors: | Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A. | | Deposit date: | 1997-12-15 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
Cell(Cambridge,Mass.), 87, 1996
|
|
1A1V
 | | HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA | | Descriptor: | DNA (5'-D(*UP*UP*UP*UP*UP*UP*UP*U)-3'), PROTEIN (NS3 PROTEIN), SULFATE ION | | Authors: | Kim, J.L, Morgenstern, K.A, Griffith, J.P, Dwyer, M.D, Thomson, J.A, Murcko, M.A, Lin, C, Caron, P.R. | | Deposit date: | 1997-12-17 | | Release date: | 1999-01-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding.
Structure, 6, 1998
|
|
1QNE
 | |
1VTO
 | |
3EFL
 | | Crystal structure of the VEGFR2 kinase domain in complex with motesanib | | Descriptor: | N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Kim, J.L, Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-09-09 | | Release date: | 2009-09-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Motesanib
To be Published
|
|
3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3BE2
 | | Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor | | Descriptor: | N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H. | | Deposit date: | 2007-11-16 | | Release date: | 2008-04-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.
J.Med.Chem., 51, 2008
|
|
1TCO
 | | TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS) | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, FE (III) ION, ... | | Authors: | Griffith, J.P, Kim, J.L, Kim, E.E, Sintchak, M.D, Thomson, J.A, Fitzgibbon, M.J, Fleming, M.A, Caron, P.R, Hsiao, K, Navia, M.A. | | Deposit date: | 1996-08-21 | | Release date: | 1997-02-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex.
Cell(Cambridge,Mass.), 82, 1995
|
|
2QU6
 | | Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor | | Descriptor: | 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide, SULFATE ION, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2007-08-03 | | Release date: | 2007-09-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
|
|
2QU5
 | | Crystal structure of the VEGFR2 kinase domain in complex with a benzimidazole inhibitor | | Descriptor: | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2007-08-03 | | Release date: | 2007-09-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
|
|
1QN4
 | | Crystal structure of the T(-24) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*AP*TP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*AP*TP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
|
|
1QPD
 | | STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | | Descriptor: | LCK KINASE, STAUROSPORINE, SULFATE ION | | Authors: | Zhu, X, Kim, J.L, Rose, P.E, Stover, D.R, Toledo, L.M, Zhao, H, Morgenstern, K.A. | | Deposit date: | 1999-05-24 | | Release date: | 2000-05-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999
|
|
1QNB
 | | Crystal structure of the T(-25) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*TP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*AP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
|
|
1QN8
 | | Crystal structure of the T(-28) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*TP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*AP*AP*TP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
|
|
1QNC
 | | Crystal structure of the A(-31) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*AP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*TP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
|
|
1QPJ
 | | CRYSTAL STRUCTURE OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH STAUROSPORINE. | | Descriptor: | LCK TYROSINE KINASE, STAUROSPORINE, SULFATE ION | | Authors: | Zhu, X, Kim, J.L, Rose, P.E, Stover, D.R, Toledo, L.M. | | Deposit date: | 1999-05-25 | | Release date: | 2000-05-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999
|
|
1QN6
 | | Crystal structure of the T(-26) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*AP*TP*TP*AP*TP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
|
|
1QN9
 | | Crystal structure of the C(-29) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*CP*AP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*TP*GP*TP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
|
|
1QNA
 | | Crystal structure of the T(-30) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*TP*TP*TP*AP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*TP*AP*AP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
|
|
