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4JOM
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BU of 4jom by Molmil
Structure of E. coli Pol III 3mPHP mutant
Descriptor: DNA polymerase III subunit alpha, GLYCEROL, PHOSPHATE ION, ...
Authors:Barros, T, Guenther, J, Kelch, B, Anaya, J, Prabhakar, A, O'Donnell, M, Kuriyan, J, Lamers, M.H.
Deposit date:2013-03-18
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural role for the PHP domain in E. coli DNA polymerase III.
Bmc Struct.Biol., 13, 2013
5NHY
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BU of 5nhy by Molmil
BAY-707 in complex with MTH1
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ...
Authors:Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M.
Deposit date:2017-03-22
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
ACS Chem. Biol., 12, 2017
5LGE
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BU of 5lge by Molmil
Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032
Descriptor: 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ...
Authors:Hillig, R.C, Hars, U, Korndoerfer, I.P.
Deposit date:2016-07-07
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo.
Acta Neuropathol., 133, 2017
8PAS
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BU of 8pas by Molmil
Crystal structure of MAP4K1 with a SMOL inhibitor
Descriptor: 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
8PAR
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BU of 8par by Molmil
Crystal structure of human MAP4K1 with an inhibitor, BAY-405
Descriptor: GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine
Authors:Schaefer, M.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published

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PDB entries from 2024-09-18

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