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1DJR
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BU of 1djr by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE
Descriptor: BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ...
Authors:Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:1999-12-03
Release date:2000-06-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes.
Acta Crystallogr.,Sect.D, 56, 2000
6XIH
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BU of 6xih by Molmil
Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile
Descriptor: (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
Authors:Dougan, D.R.
Deposit date:2020-06-19
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3character and an exquisite selectivity profile.
Bioorg.Med.Chem.Lett., 30, 2020
5UOR
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BU of 5uor by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
Descriptor: 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5, SULFATE ION
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UP3
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BU of 5up3 by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
Descriptor: 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UOX
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BU of 5uox by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
Descriptor: 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
1FD7
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BU of 1fd7 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001
Descriptor: HEAT-LABILE ENTEROTOXIN B CHAIN, N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
Authors:Fan, E, Merritt, E.A, Pickens, J, Ahn, M, Hol, W.G.J.
Deposit date:2000-07-19
Release date:2000-08-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001

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