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6BJN
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BU of 6bjn by Molmil
PICK1 PDZ domain in complex with the class I PDZ binding motif QSAV
Descriptor: PRKCA-binding protein
Authors:Marcotte, D.J.
Deposit date:2017-11-06
Release date:2018-01-10
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure.
Protein Sci., 27, 2018
5IXK
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BU of 5ixk by Molmil
RORgamma in complex with inverse agonist BIO399.
Descriptor: N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.J.
Deposit date:2016-03-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
5IZ0
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BU of 5iz0 by Molmil
RORgamma in complex with agonist BIO592 and Coactivator EBI96
Descriptor: CHLORIDE ION, GLU-PHE-PRO-TYR-LEU-LEU-SER-LEU-LEU-GLY-GLU-VAL-SER-PRO-GLN, N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, ...
Authors:Marcotte, D.J.
Deposit date:2016-03-24
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.635 Å)
Cite:Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
5KO1
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BU of 5ko1 by Molmil
Pseudokinase Domain of MLKL bound to Compound 4.
Descriptor: Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
Authors:Marcotte, D.J.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
5KNJ
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BU of 5knj by Molmil
Pseudokinase Domain of MLKL bound to Compound 1.
Descriptor: 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein
Authors:Marcotte, D.J.
Deposit date:2016-06-28
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
3M1N
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BU of 3m1n by Molmil
Crystal structure of Human Sonic Hedgehog N-terminal domain
Descriptor: SULFATE ION, Sonic hedgehog protein, ZINC ION
Authors:Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F.
Deposit date:2010-03-05
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
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