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6SIU
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BU of 6siu by Molmil
Crystal structure of IbpAFic2 covalently tethered to Cdc42
Descriptor: Cell division control protein 42 homolog, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gulen, B, Roselin, M, Albers, M, Hedberg, C, Itzen, A, Pogenberg, V.
Deposit date:2019-08-12
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification of targets of AMPylating Fic enzymes by co-substrate-mediated covalent capture.
Nat.Chem., 12, 2020
6VSW
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BU of 6vsw by Molmil
Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt
Descriptor: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C
Authors:Spurlino, J, Milligan, C.
Deposit date:2020-02-12
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
Descriptor: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.90197086 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
6CVH
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BU of 6cvh by Molmil
Identification and biological evaluation of thiazole-based inverse agonists of RORgt
Descriptor: Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-03-28
Release date:2018-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
5CVS
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BU of 5cvs by Molmil
GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S.
Deposit date:2015-07-27
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016

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