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3I1Y
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CRYSTAL STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE
Descriptor:Epoxide hydrolase 2, N-(3,3-diphenylpropyl)pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-06-28
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3I28
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CRYSTAL STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE
Descriptor:Epoxide hydrolase 2, 4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide
Authors:Farrow, N.A.
Deposit date:2009-06-29
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3I7G
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MMP-13 IN COMPLEX WITH A NON ZINC-CHELATING INHIBITOR
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Farrow, N.A.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3I7I
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MMP-13 IN COMPLEX WITH A NON ZINC-CHELATING INHIBITOR
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Farrow, N.A., Margarit, S.M.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3KOO
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CRYSTAL STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE
Descriptor:Epoxide hydrolase 2, N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-11-13
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.791 Å)
Cite:Optimization of piperidyl-ureas as inhibitors of soluble epoxide hydrolase.
Bioorg.Med.Chem.Lett., 20, 2010
3OTQ
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SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WITH PYRAZOLE ANTAGONIST
Descriptor:Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2010-09-13
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.
Bioorg.Med.Chem.Lett., 20, 2010
5BOT
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X-RAY CO-STRUCTURE OF MMP-13 WITH ETHYL 5-CARBAMOYL-1H-INDOLE-2-CARBOXYLATE
Descriptor:Collagenase 3, ethyl 5-carbamoyl-1H-indole-2-carboxylate, ZINC ION, ...
Authors:Farrow, N.A., Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BOY
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X-RAY CO-STRUCTURE OF MMP-13 WITH ETHYL 5-(1-METHYL-1H-IMIDAZOL-5-YL)-1H-INDOLE-2-CARBOXYLATE
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Farrow, N.A.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BPA
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X-RAY CO-STRUCTURE OF MMP-13 WITH 4-[({5-[2-(ETHOXYCARBONYL)-1H-INDOL-5-YL]-1-METHYL-1H-PYRAZOL-3-YL}FORMAMIDO)METHYL]BENZOATE
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Farrow, N.A., Margarit, S.M.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
3S0N
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CRYSTAL STRUCTURE OF HUMAN CHYMASE WITH BENZIMIDAZOLONE INHIBITOR
Descriptor:Chymase, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
Authors:Qian, K.C., Farrow, N.A., Padyana, A.K.
Deposit date:2011-05-13
Release date:2011-07-20
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Benzimidazolone as potent chymase inhibitor: Modulation of reactive metabolite formation in the hydrophobic (P(1)) region.
Bioorg.Med.Chem.Lett., 21, 2011
5E4G
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CRYSTAL STRUCTURE OF HUMAN GROWTH DIFFERENTIATION FACTOR 11 (GDF-11)
Descriptor:Growth/differentiation factor 11, TETRAETHYLENE GLYCOL
Authors:Padyana, A.K., Vaidialingam, B., Hayes, D.B., Gupta, P., Franti, M., Farrow, N.A.
Deposit date:2015-10-06
Release date:2016-03-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human GDF11.
Acta Crystallogr.,Sect.F, 72, 2016
1FT4
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PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Descriptor:SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1, 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE
Authors:Muckelbauer, J.K., Chang, C.-H.
Deposit date:2000-09-11
Release date:2001-10-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
5VB3
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X-RAY STRUCTURE OF NUCLEAR RECEPTOR ROR-GAMMAT LIGAND BINDING DOMAIN + SRC2 PEPTIDE
Descriptor:Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB5
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X-RAY CO-STRUCTURE OF NUCLEAR RECEPTOR ROR-GAMMAT LIGAND BINDING DOMAIN WITH AN INVERSE AGONIST AND SRC2 PEPTIDE
Descriptor:Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB6
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X-RAY CO-STRUCTURE OF NUCLEAR RECEPTOR ROR-GAMMAT LIGAND BINDING DOMAIN WITH AN INVERSE AGONIST AND SRC2 PEPTIDE
Descriptor:Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB7
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X-RAY CO-STRUCTURE OF NUCLEAR RECEPTOR ROR-GAMMAT LIGAND BINDING DOMAIN WITH AN AGONIST AND SRC2 PEPTIDE
Descriptor:Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
6CEN
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CRYSTAL STRUCTURE OF WHSC1L1 IN COMPLEX WITH INHIBITOR PEP21
Descriptor:Histone-lysine N-methyltransferase NSD3, ACE-GLY-VAL-NLE-ARG-ILE-NH2, S-ADENOSYLMETHIONINE, ...
Authors:Boriack-Sjodin, P.A., Swinger, K., Farrow, N.A.
Deposit date:2018-02-12
Release date:2018-05-09
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Identification of a peptide inhibitor for the histone methyltransferase WHSC1.
PLoS ONE, 13, 2018
4K5Z
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CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT INHIBITOR 6-CHLORO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
Descriptor:Chymase, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
Authors:Collins, B.K., Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K60
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CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT 6-BROMO-1,3-DIHYDRO-2H-INDOL-2-ONE
Descriptor:Chymase, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
Authors:Collins, B.K., Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K69
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CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT LINKED BENZIMIDAZOLONE INHIBITOR: (3S)-3-{3-[(6-BROMO-2-OXO-2,3-DIHYDRO-1H-INDOL-4-YL)METHYL]-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL}HEXANOIC ACID
Descriptor:Chymase, ZINC ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Collins, B.K., Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013