Author results

3PGK
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THE STRUCTURE OF YEAST PHOSPHOGLYCERATE KINASE AT 0.25 NM RESOLUTION
Descriptor:PHOSPHOGLYCERATE KINASE, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Shaw, P.J., Walker, N.P., Watson, H.C.
Deposit date:1982-07-15
Release date:1982-09-24
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sequence and structure of yeast phosphoglycerate kinase.
Embo J., 1, 1982
2AWZ
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HEPATITIS C VIRUS NS5B RNA POLYMERASE IN COMPLEX WITH A COVALENT INHIBITOR (5H)
Descriptor:Genome polyprotein, SULFATE ION, 5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Authors:Powers, J.P., Piper, D.E., Li, Y., Mayorga, V., Anzola, J., Chen, J.M., Jaen, J.C., Lee, G., Liu, J., Peterson, M.G., Tonn, G.R., Ye, Q., Walker, N.P., Wang, Z.
Deposit date:2005-09-02
Release date:2006-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
2AX0
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HEPATITIS C VIRUS NS5B RNA POLYMERASE IN COMPLEX WITH A COVALENT INHIBITOR (5X)
Descriptor:Genome polyprotein, SULFATE ION, 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Authors:Powers, J.P., Piper, D.E., Li, Y., Mayorga, V., Anzola, J., Chen, J.M., Jaen, J.C., Lee, G., Liu, J., Peterson, M.G., Tonn, G.R., Ye, Q., Walker, N.P., Wang, Z.
Deposit date:2005-09-02
Release date:2006-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
2AX1
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HEPATITIS C VIRUS NS5B RNA POLYMERASE IN COMPLEX WITH A COVALENT INHIBITOR (5EE)
Descriptor:Genome polyprotein, SULFATE ION, 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Authors:Powers, J.P., Piper, D.E., Li, Y., Mayorga, V., Anzola, J., Chen, J.M., Jaen, J.C., Lee, G., Liu, J., Peterson, M.G., Tonn, G.R., Ye, Q., Walker, N.P., Wang, Z.
Deposit date:2005-09-02
Release date:2006-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
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
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
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
2PMW
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THE CRYSTAL STRUCTURE OF PROPROTEIN CONVERTASE SUBTILISIN KEXIN TYPE 9 (PCSK9)
Descriptor:Proprotein convertase subtilisin/kexin type 9, SULFATE ION
Authors:Piper, D.E., Romanow, W.G., Thibault, S.T., Walker, N.P.C.
Deposit date:2007-04-23
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of PCSK9: A Regulator of Plasma LDL-Cholesterol.
Structure, 15, 2007
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
3EQP
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CRYSTAL STRUCTURE OF ACK1 WITH COMPOUND T95
Descriptor:Activated CDC42 kinase 1, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide, CHLORIDE ION
Authors:Liu, J., Wang, Z., Walker, N.P.C.
Deposit date:2008-10-01
Release date:2008-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3EQR
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CRYSTAL STRUCTURE OF ACK1 WITH COMPOUND T74
Descriptor:Activated CDC42 kinase 1, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine, CHLORIDE ION
Authors:Liu, J., Wang, Z., Walker, N.P.C.
Deposit date:2008-10-01
Release date:2008-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3FMZ
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CRYSTAL STRUCTURE OF RETINOL-BINDING PROTEIN 4 (RBP4) IN COMPLEX WITH NON-RETINOID LIGAND
Descriptor:Retinol-binding protein 4, 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
Authors:Wang, Z., Johnstone, S., Walker, N.P.
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
3FUR
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CRYSTAL STRUCTURE OF PPARG IN COMPLEX WITH INT131
Descriptor:Peroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, ...
Authors:Wang, Z., Liu, J., Walker, N.
Deposit date:2009-01-14
Release date:2009-06-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:INT131: a selective modulator of PPAR gamma
J.Mol.Biol., 386, 2009
3H42
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CRYSTAL STRUCTURE OF PCSK9 IN COMPLEX WITH FAB FROM LDLR COMPETITIVE ANTIBODY
Descriptor:Proprotein convertase subtilisin/kexin type 9, Fab from LDLR competitive antibody: Light chain, Fab from LDLR competitive antibody: Heavy chain, ...
Authors:Piper, D.E., Walker, N.P.C., Romanow, W.G., Thibault, S.T., Tsai, M.M., Yang, E.
Deposit date:2009-04-17
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 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
3QJ8
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CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE
Descriptor:Fatty-acid amide hydrolase 1
Authors:Min, X., Walker, N.P.C., Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QJ9
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CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE WITH SMALL MOLECULE INHIBITOR
Descriptor:Fatty-acid amide hydrolase 1, 1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, 1,2-ETHANEDIOL, ...
Authors:Min, X., Walker, N.P.C., Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QKV
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CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE WITH SMALL MOLECULE COMPOUND
Descriptor:Fatty-acid amide hydrolase 1, (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol
Authors:Min, X., Walker, N.P.C., Wang, Z.
Deposit date:2011-02-01
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3VZB
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CRYSTAL STRUCTURE OF SPHINGOSINE KINASE 1
Descriptor:Sphingosine kinase 1, (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, SULFATE ION, ...
Authors:Min, X., Walker, N.P., Wang, Z.
Deposit date:2012-10-10
Release date:2013-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis of Sphingosine Kinase 1 Substrate Recognition and Catalysis.
Structure, 2013
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