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2DUB
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BU of 2dub by Molmil
ENOYL-COA HYDRATASE COMPLEXED WITH OCTANOYL-COA
Descriptor: 2-ENOYL-COA HYDRATASE, OCTANOYL-COENZYME A
Authors:Engel, C.K, Wierenga, R.K.
Deposit date:1997-04-28
Release date:1998-04-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of enoyl-CoA hydratase complexed with octanoyl-CoA reveals the structural adaptations required for binding of a long chain fatty acid-CoA molecule.
J.Mol.Biol., 275, 1998
1XUD
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BU of 1xud by Molmil
Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor
Descriptor: CALCIUM ION, Collagenase 3, N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ...
Authors:Engel, C.K, Wendt, K.U.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the highly selective inhibition of MMP-13.
Chem.Biol., 12, 2005
1XUR
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BU of 1xur by Molmil
Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor
Descriptor: CALCIUM ION, Collagenase 3, N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ...
Authors:Engel, C.K, Wendt, K.U.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the highly selective inhibition of MMP-13.
Chem.Biol., 12, 2005
1XUC
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BU of 1xuc by Molmil
Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor
Descriptor: CALCIUM ION, Collagenase 3, N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ...
Authors:Engel, C.K, Wendt, K.U.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the highly selective inhibition of MMP-13
Chem.Biol., 12, 2005
1DUB
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BU of 1dub by Molmil
2-ENOYL-COA HYDRATASE, DATA COLLECTED AT 100 K, PH 6.5
Descriptor: 2-ENOYL-COA HYDRATASE, ACETOACETYL-COENZYME A
Authors:Wierenga, R.K, Engel, C.K.
Deposit date:1996-06-10
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of enoyl-coenzyme A (CoA) hydratase at 2.5 angstroms resolution: a spiral fold defines the CoA-binding pocket.
EMBO J., 15, 1996
1BUO
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BU of 1buo by Molmil
BTB DOMAIN FROM PLZF
Descriptor: PROTEIN (PROMYELOCYTIC LEUKEMIA ZINC FINGER PROTEIN PLZF)
Authors:Ahmad, K.F, Engel, C.K, Prive, G.G.
Deposit date:1998-09-04
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the BTB domain from PLZF.
Proc.Natl.Acad.Sci.USA, 95, 1998
5CGJ
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BU of 5cgj by Molmil
Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling.
Descriptor: (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Schimanski-Breves, S, Loenze, P, Engel, C.K.
Deposit date:2015-07-09
Release date:2015-10-21
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Characterization of RA839, a Noncovalent Small Molecule Binder to Keap1 and Selective Activator of Nrf2 Signaling.
J.Biol.Chem., 290, 2015
4K26
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BU of 4k26 by Molmil
4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -HSD1 inhibitors for the treatment of diabetes
Descriptor: (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Loenze, P, Schimanski-Breves, S, Vonderheyden, C, Engel, C.K.
Deposit date:2013-04-08
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes.
Bioorg.Med.Chem.Lett., 23, 2013
4K1L
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BU of 4k1l by Molmil
4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta-HSD1 inhibitors for the treatment of diabetes
Descriptor: (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Loenze, P, Schimanski-Breves, S, Von der Heyden, C, Engel, C.K.
Deposit date:2013-04-05
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes.
Bioorg.Med.Chem.Lett., 23, 2013
1THQ
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BU of 1thq by Molmil
Crystal Structure of Outer Membrane Enzyme PagP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CrcA protein, ...
Authors:Ahn, V.E, Lo, E.I, Engel, C.K, Chen, L, Hwang, P.M, Kay, L.E, Bishop, R.E, Prive, G.G.
Deposit date:2004-06-01
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A hydrocarbon ruler measures palmitate in the enzymatic acylation of endotoxin.
Embo J., 23, 2004
3QQP
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BU of 3qqp by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Urea Inhibitor
Descriptor: 3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Loenze, P, Schimanski-Breves, S, Engel, C.K.
Deposit date:2011-02-16
Release date:2012-02-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1.
Bioorg.Med.Chem.Lett., 21, 2011
1AFW
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BU of 1afw by Molmil
THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE DIMERIC PEROXISOMAL THIOLASE OF SACCHAROMYCES CEREVISIAE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 3-KETOACETYL-COA THIOLASE
Authors:Mathieu, M, Wierenga, R.K.
Deposit date:1997-03-15
Release date:1997-06-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure of the dimeric peroxisomal 3-ketoacyl-CoA thiolase of Saccharomyces cerevisiae: implications for substrate binding and reaction mechanism.
J.Mol.Biol., 273, 1997
4HX5
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BU of 4hx5 by Molmil
Crystal structure of 11 beta-HSD1 in complex with SAR184841
Descriptor: 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Loenze, P, Schimanski-Breves, S, Engel, C.K.
Deposit date:2012-11-09
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of SAR184841, a potent and long-lasting inhibitor of 11beta-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D
Bioorg.Med.Chem.Lett., 23, 2013
3DNG
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BU of 3dng by Molmil
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
Descriptor: (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ...
Authors:Pochetti, G, Montanari, R, Mazza, F.
Deposit date:2008-07-02
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPE
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BU of 3dpe by Molmil
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
Descriptor: CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, Neutrophil collagenase, ...
Authors:Pochetti, G, Montanari, R, Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPF
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BU of 3dpf by Molmil
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, ...
Authors:Pochetti, G, Montanari, R, Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009

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