Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4XXH
DownloadVisualize
BU of 4xxh by Molmil
TREHALOSE REPRESSOR FROM ESCHERICHIA COLI
Descriptor: 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, HTH-type transcriptional regulator TreR
Authors:Hars, U, Horlacher, R, Boos, W, Smart, O.S, Bricogne, G, Welte, W, Diederichs, K.
Deposit date:2015-01-30
Release date:2015-02-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF THE TREHALOSE-REPRESSOR OF ESCHERICHIA COLI, A MEMBER OF THE LACI FAMILY, IN ITS COMPLEXES WITH INDUCER TREHALOSE-6-PHOSPHATE AND NONINDUCER TREHALOSE.
PROTEIN SCI., 7, 1998
5W4V
DownloadVisualize
BU of 5w4v by Molmil
Structure of RORgt bound to a tertiary alcohol
Descriptor: (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Hars, U.
Deposit date:2017-06-13
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
6YYO
DownloadVisualize
BU of 6yyo by Molmil
Structure of Cathepsin S in complex with Compound 1
Descriptor: 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ...
Authors:Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYN
DownloadVisualize
BU of 6yyn by Molmil
Structure of Cathepsin S in complex with Compound 14
Descriptor: CITRATE ANION, Cathepsin S, SULFATE ION, ...
Authors:Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYQ
DownloadVisualize
BU of 6yyq by Molmil
Structure of Cathepsin S in complex with Compound 3
Descriptor: (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S
Authors:Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYR
DownloadVisualize
BU of 6yyr by Molmil
Structure of Cathepsin S in complex with Compound 20b
Descriptor: (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ...
Authors:Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYP
DownloadVisualize
BU of 6yyp by Molmil
Structure of Cathepsin S in complex with Compound 2
Descriptor: 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ...
Authors:Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
5LGE
DownloadVisualize
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

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon