5V9U
| Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | Deposit date: | 2017-03-23 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor. Cell, 172, 2018
|
|
6B0V
| Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C | Descriptor: | 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one, CALCIUM ION, GTPase KRas, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
|
|
6B0Y
| Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
|
|
5F2E
| Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State. Cancer Discov, 6, 2016
|
|
8DZI
| |
8DZH
| |
8HTV
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | Descriptor: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | Authors: | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2022-12-21 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group. J.Med.Chem., 66, 2023
|
|
7MW6
| |
7MW4
| |
7MW5
| |
7MW2
| |
7MW3
| |
6O5I
| Menin in complex with MI-3454 | Descriptor: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | Authors: | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | Deposit date: | 2019-03-03 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.24025619 Å) | Cite: | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J.Clin.Invest., 130, 2020
|
|
2HIW
| |
7WIV
| Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with an AMP-PNP | Descriptor: | Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | Deposit date: | 2022-01-05 | Release date: | 2023-01-25 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB. Protein Cell, 14, 2023
|
|
7WIX
| Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ... | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | Deposit date: | 2022-01-05 | Release date: | 2023-01-25 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB. Protein Cell, 14, 2023
|
|
7WIU
| Cryo-EM structure of Mycobacterium tuberculosis irtAB in inward-facing state | Descriptor: | Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | Deposit date: | 2022-01-05 | Release date: | 2023-01-25 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB. Protein Cell, 14, 2023
|
|
7WIW
| Cryo-EM structure of Mycobacterium tuberculosis irtAB complexed with ATP in an occluded conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ... | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | Deposit date: | 2022-01-05 | Release date: | 2023-01-25 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB. Protein Cell, 14, 2023
|
|