Author results

6B8O
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WT IG-LIKE V DOMAIN WITH PHOSPHATIDYLSERINE
Descriptor:Triggering receptor expressed on myeloid cells 2, N-ACETYL-D-GLUCOSAMINE, IODIDE ION, ...
Authors:Sudom, A., Wang, Z.
Deposit date:2017-10-09
Release date:2018-06-27
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
1OS1
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STRUCTURE OF PHOSPHOENOLPYRUVATE CARBOXYKINASE COMPLEXED WITH ATP,MG, CA AND PYRUVATE.
Descriptor:Phosphoenolpyruvate carboxykinase [ATP], MAGNESIUM ION, CALCIUM ION, ...
Authors:Sudom, A., Walters, R., Pastushok, L., Goldie, D., Prasad, L., Delbaere, L.T., Goldie, H.
Deposit date:2003-03-18
Release date:2003-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanisms of activation of phosphoenolpyruvate carboxykinase from Escherichia coli by Ca2+ and of desensitization by trypsin.
J.BACTERIOL., 185, 2003
5UD7
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CRYSTAL STRUCTURE OF WILD-TYPE IG-LIKE DOMAIN
Descriptor:Triggering receptor expressed on myeloid cells 2, N-ACETYL-D-GLUCOSAMINE, IODIDE ION, ...
Authors:Sudom, A., Min, X., Wang, Z.
Deposit date:2016-12-23
Release date:2018-04-04
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.200022 Å)
Cite:Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
5UD8
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CRYSTAL STRUCTURE OF MUTANT IG-LIKE DOMAIN
Descriptor:Triggering receptor expressed on myeloid cells 2
Authors:Sudom, A., Min, X., Wang, Z.
Deposit date:2016-12-23
Release date:2018-04-04
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
3GZ9
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CRYSTAL STRUCTURE OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA (PPARD) IN COMPLEX WITH A FULL AGONIST
Descriptor:Peroxisome proliferator-activated receptor delta, HEPTYL-BETA-D-GLUCOPYRANOSIDE, (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2009-04-06
Release date:2009-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3H0A
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CRYSTAL STRUCTURE OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA (PPARG) AND RETINOIC ACID RECEPTOR ALPHA (RXRA) IN COMPLEX WITH 9-CIS RETINOIC ACID, CO-ACTIVATOR PEPTIDE, AND A PARTIAL AGONIST
Descriptor:Retinoic acid receptor RXR-alpha, Peroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, ...
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2009-04-08
Release date:2009-06-09
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3BZU
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGENASE(HSD1) IN COMPLEX WITH NADP AND THIAZOLONE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one
Authors:Min, X., Sudom, A., Xu, H., Wang, Z., Walker, N.P.
Deposit date:2008-01-18
Release date:2008-06-10
Last modified:2011-11-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural characterization and pharmacodynamic effects of an orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor.
Chem.Biol.Drug Des., 71, 2008
3CZR
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGENASE (HSD1) IN COMPLEX WITH ARYLSULFONYLPIPERAZINE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, ...
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2008-04-29
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
3D3E
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGENASE (HSD1) IN COMPLEX WITH BENZAMIDE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
Authors:Wang, Z., Sudom, A., Liu, J., Walker, N.P.
Deposit date:2008-05-09
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
3D4N
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGENASE (HSD1) IN COMPLEX WITH SULFONAMIDE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
Authors:Wang, Z., Liu, J., Sudom, A., Walker, N.P.
Deposit date:2008-05-14
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
3D5Q
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CRYSTAL STRUCTURE OF 11B-HSD1 IN COMPLEX WITH TRIAZOLE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole
Authors:Wang, Z., Liu, J., Sudom, A., Walker, N.P.C.
Deposit date:2008-05-16
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
Bioorg.Med.Chem., 16, 2008
3FCO
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CRYSTAL STRUCTURE OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 (11B-HSD1) IN COMPLEX WITH BENZAMIDE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2008-11-21
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FRJ
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CRYSTAL STRUCTURE OF 11B-HYDROXYSTEROID DEHYDROGENASE-1 (11B-HSD1) IN COMPLEX WITH PIPERIDYL BENZAMIDE INHIBITOR
Descriptor:Corticosteroid 11-beta-Dehydrogenase, Isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2009-01-08
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3OQ1
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CRYSTAL STRUCTURE OF 11BETA-HYDROXYSTEROID DEHYDROGENASE-1 (11B-HSD1) IN COMPLEX WITH DIARYLSULFONE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2010-09-02
Release date:2011-07-20
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3PDJ
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 (11B-HSD1) IN COMPLEX WITH 4,4-DISUBSTITUTED CYCLOHEXYLBENZAMIDE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2010-10-22
Release date:2011-10-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
4DN5
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CRYSTAL STRUCTURE OF NF-KB-INDUCING KINASE (NIK)
Descriptor:Mitogen-activated protein kinase kinase kinase 14, MAGNESIUM ION, GLYCEROL, ...
Authors:Min, X., Liu, J., Sudom, A., Walker, N.P., Wang, Z.
Deposit date:2012-02-08
Release date:2012-06-27
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Nuclear Factor Kappa B-inducing kinase domain reveals a constitutively active conformation
J.Biol.Chem., 287, 2012
4FFV
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV (DPP4, DPP-IV, CD26) IN COMPLEX WITH 11A19 FAB
Descriptor:Dipeptidyl peptidase 4, 11A19 Fab light chain, 11A19 Fab heavy chain
Authors:Wang, Z., Sudom, A., Walker, N.P., Min, X.
Deposit date:2012-06-01
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4FFW
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV (DPP4, DPP-IV, CD26) IN COMPLEX WITH FAB + SITAGLIPTIN
Descriptor:Dipeptidyl peptidase 4, Fab light chain, Fab heavy chain, ...
Authors:Wang, Z., Sudom, A., Walker, N.P., Min, X.
Deposit date:2012-06-01
Release date:2012-12-12
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4IDT
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CRYSTAL STRUCTURE OF NIK WITH 11-BROMO-5,6,7,8-TETRAHYDROPYRIMIDO[4',5':3,4]CYCLOHEPTA[1,2-B]INDOL-2-AMINE (T28)
Descriptor:Mitogen-activated protein kinase kinase kinase 14, 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine
Authors:Liu, J., Sudom, A., Wang, Z.
Deposit date:2012-12-13
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4IDV
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CRYSTAL STRUCTURE OF NIK WITH COMPOUND 4-{3-[2-AMINO-5-(2-METHOXYETHOXY)PYRIMIDIN-4-YL]-1H-INDOL-5-YL}-2-METHYLBUT-3-YN-2-OL (13V)
Descriptor:Mitogen-activated protein kinase kinase kinase 14, 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol
Authors:Liu, J., Sudom, A., Wang, Z.
Deposit date:2012-12-13
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4RMZ
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CRYSTAL STRUCTURE OF IRAK-4
Descriptor:Interleukin-1 receptor-associated kinase 4, 3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide
Authors:Johnstone, S., Sudom, A., Liu, J., Walker, N.P., Wang, Z.
Deposit date:2014-10-22
Release date:2016-01-13
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper
To be Published
2NRU
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CRYSTAL STRUCTURE OF IRAK-4
Descriptor:Interleukin-1 receptor-associated kinase 4, SULFATE ION, 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE
Authors:Wang, Z., Liu, J., Walker, N.P.C.
Deposit date:2006-11-02
Release date:2006-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper.
Structure, 14, 2006
2NRY
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CRYSTAL STRUCTURE OF IRAK-4
Descriptor:interleukin-1 receptor-associated kinase 4, STAUROSPORINE
Authors:Wang, Z., Liu, J., Walker, N.P.C.
Deposit date:2006-11-02
Release date:2006-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper.
Structure, 14, 2006