5KYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kyk by Molmil](/molmil-images/mine/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
|
|
5J41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j41 by Molmil](/molmil-images/mine/5j41) | Glutathione S-transferase bound with hydrolyzed Piperlongumine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ... | Authors: | Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K. | Deposit date: | 2016-03-31 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19035351 Å) | Cite: | Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine. J. Biol. Chem., 292, 2017
|
|
4WA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wa7 by Molmil](/molmil-images/mine/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
|
|
6O46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o46 by Molmil](/molmil-images/mine/6o46) | |
5V71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v71 by Molmil](/molmil-images/mine/5v71) | KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Westover, K, Lu, J. | Deposit date: | 2017-03-17 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry. Structure, 25, 2017
|
|
6ATE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ate by Molmil](/molmil-images/mine/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
|
|
6G54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g54 by Molmil](/molmil-images/mine/6g54) | Crystal structure of ERK2 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-29 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
|
|
6GES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ges by Molmil](/molmil-images/mine/6ges) | Crystal structure of ERK1 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
|
|
4TQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tq9 by Molmil](/molmil-images/mine/4tq9) | Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-06-10 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
|
|
4QL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ql3 by Molmil](/molmil-images/mine/4ql3) | Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-06-10 | Release date: | 2015-06-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.041 Å) | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
|
|
4TQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tqa by Molmil](/molmil-images/mine/4tqa) | Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-06-10 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
|
|
6BP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bp1 by Molmil](/molmil-images/mine/6bp1) | |
6ASA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6asa by Molmil](/molmil-images/mine/6asa) | KRAS mutant-D33E in GDP-bound | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Lu, J, Westover, K. | Deposit date: | 2017-08-24 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation. Biochemistry, 57, 2018
|
|
6ASE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ase by Molmil](/molmil-images/mine/6ase) | KRAS mutant-A59G in GDP-bound | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Westover, K, Lu, J. | Deposit date: | 2017-08-24 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation. Biochemistry, 57, 2018
|
|
6BOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bof by Molmil](/molmil-images/mine/6bof) | |
6MTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mta by Molmil](/molmil-images/mine/6mta) | |
6MQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mqg by Molmil](/molmil-images/mine/6mqg) | |
6MQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mqn by Molmil](/molmil-images/mine/6mqn) | |
6O36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o36 by Molmil](/molmil-images/mine/6o36) | |
6MNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mnx by Molmil](/molmil-images/mine/6mnx) | |
6MS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ms9 by Molmil](/molmil-images/mine/6ms9) | GDP-bound KRAS P34R mutant | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Bera, A.K, Westover, K.D. | Deposit date: | 2018-10-16 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R. Birth Defects Res, 112, 2020
|
|