1R9T
 
 | | RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MISMATCHED NUCLEOTIDE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA nontemplate strand, DNA template strand, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2003-10-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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1R9S
 | | RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MATCHED NUCLEOTIDE | | Descriptor: | DNA strand, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2003-10-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (4.25 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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1SFO
 | | RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX | | Descriptor: | DNA STRAND, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2004-02-20 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Structural Basis of Transcription: Separation of RNA from DNA by RNA Polymerase II
Science, 303, 2004
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1TWG
 | | RNA polymerase II complexed with CTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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1TWH
 | | RNA polymerase II complexed with 2'dATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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1TWF
 | | RNA polymerase II complexed with UTP at 2.3 A resolution | | Descriptor: | DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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1TWC
 | | RNA polymerase II complexed with GTP | | Descriptor: | DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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1TWA
 | | RNA polymerase II complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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4WA7
 | | Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-08-28 | | Release date: | 2015-06-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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7N8T
 | | Crystal Structure of AMP-bound Human JNK2 | | Descriptor: | ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9 | | Authors: | Li, L, Gurbani, D, Westover, K.D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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8ELC
 | | Human JNK2 bound to covalent inhibitor YL2056 | | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | | Authors: | Li, L, Gurbani, D, Westover, K.D. | | Deposit date: | 2022-09-23 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.072 Å) | | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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2YU9
 | | RNA polymerase II elongation complex in 150 mm MG+2 with UTP | | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | | Deposit date: | 2007-04-06 | | Release date: | 2007-04-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis of Transcription: Role of the Trigger Loop in Substrate Specificity and Catalysis
Cell(Cambridge,Mass.), 127, 2006
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5E7R
 | | Crystal structure of TL10-81 bound to TAK1-TAB1 | | Descriptor: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D. | | Deposit date: | 2015-10-13 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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4LDJ
 | | Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2013-06-24 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4NMM
 | | Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor | | Descriptor: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION | | Authors: | Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D. | | Deposit date: | 2013-11-15 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5J8I
 | | Crystal structure of TL11-113 bound to TAK1-TAB1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2016-04-07 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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5JH6
 | | Crystal structure of TL10-92 bound to TAK1-TAB1 | | Descriptor: | 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2016-04-20 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.365 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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5KYK
 | | Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | | Descriptor: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | | Authors: | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
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5J7S
 | | Crystal structure of SM1-71 bound to TAK1-TAB1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2016-04-06 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.368 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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5J9L
 | | Crystal structure of CPT1691 bound to TAK1-TAB1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2016-04-10 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7515 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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5JK3
 | | Crystal structure of TL11-128 bound to TAK1-TAB1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2016-04-25 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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6ATE
 | | SRC kinase bound to covalent inhibitor | | Descriptor: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2017-08-28 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6BP1
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6BOF
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4OBE
 | | Crystal Structure of GDP-bound Human KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-01-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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