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1MPP
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BU of 1mpp by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES. V. STRUCTURE AND REFINEMENT AT 2.0 ANGSTROMS RESOLUTION OF THE ASPARTIC PROTEINASE FROM MUCOR PUSILLUS
Descriptor: PEPSIN, SULFATE ION
Authors:Newman, M, Watson, F, Roychowdhury, P, Jones, H, Badasso, M, Cleasby, A, Wood, S.P, Tickle, I.J, Blundell, T.L.
Deposit date:1992-02-19
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analyses of aspartic proteinases. V. Structure and refinement at 2.0 A resolution of the aspartic proteinase from Mucor pusillus.
J.Mol.Biol., 230, 1993
7SLY
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BU of 7sly by Molmil
Vanin-1 complexed with Compound 27
Descriptor: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
Authors:Vajdos, F.F.
Deposit date:2021-10-25
Release date:2022-01-12
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
7SLX
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BU of 7slx by Molmil
Vanin-1 complexed with Compound 11
Descriptor: (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
Authors:Vajdos, F.F.
Deposit date:2021-10-25
Release date:2022-01-12
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
7SLV
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BU of 7slv by Molmil
Vanin-1 complexed with Compound 3
Descriptor: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
Authors:Vajdos, F.F.
Deposit date:2021-10-25
Release date:2022-01-12
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
7QDT
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BU of 7qdt by Molmil
Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations.
Descriptor: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha
Authors:Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J.
Deposit date:2021-11-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha.
Mol.Cell.Biol., 42, 2022
4ZJW
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BU of 4zjw by Molmil
RORgamma in complex with inverse agonist 16
Descriptor: 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.J.
Deposit date:2015-04-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
4ZJR
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BU of 4zjr by Molmil
RORgamma in complex with inverse agonist 48
Descriptor: 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.J.
Deposit date:2015-04-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
4ZOM
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BU of 4zom by Molmil
RORgamma in complex with inverse agonist 4j.
Descriptor: N-{4-[3-(acetylamino)-1-(propan-2-yl)-1H-pyrazol-5-yl]-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.J.
Deposit date:2015-05-06
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of novel pyrazole-containing benzamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
4HBW
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BU of 4hbw by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ...
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4HBY
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BU of 4hby by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
Descriptor: 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4HBV
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BU of 4hbv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
Descriptor: 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4HBX
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BU of 4hbx by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
Descriptor: 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4E96
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BU of 4e96 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1
Descriptor: 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC)
Deposit date:2012-03-20
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
J.Med.Chem., 55, 2012

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