8FP6
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8FPM
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8FSF
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8FP7
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8FP8
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8FT2
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8FPD
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4ZV3
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8FV3
| EGFR(T790M/V948R) in complex with compound 1 (LN4503) | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ... | Authors: | Ogboo, B.C, Heppner, D.E. | Deposit date: | 2023-01-18 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors. Commun Chem, 7, 2024
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8UJF
| X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8FPB
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6WC3
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8HYG
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8FW8
| MtrR from Neisseria gonorrhoeae bound to Progesterone | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, HTH-type transcriptional regulator MtrR, PHOSPHATE ION, ... | Authors: | Hooks, G.H, Brennan, R.G. | Deposit date: | 2023-01-20 | Release date: | 2024-01-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR. Nat Commun, 15, 2024
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8FPP
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8UVL
| Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
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4ZVY
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8FPR
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6WH5
| Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to cob(II)alamin and PPPi | Descriptor: | COBALAMIN, Corrinoid adenosyltransferase, MAGNESIUM ION, ... | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-07 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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5IPE
| Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex | Descriptor: | 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ... | Authors: | Maize, K.M, Finzel, B.C. | Deposit date: | 2016-03-09 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1). Biochemistry, 56, 2017
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8FPU
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8FRY
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8HUB
| AMP deaminase 2 in complex with an inhibitor | Descriptor: | 3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide, AMP deaminase 2, ZINC ION | Authors: | Adachi, T, Doi, S. | Deposit date: | 2022-12-23 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action. Bioorg.Med.Chem.Lett., 80, 2023
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8UI6
| X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-10 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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4ZX9
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