Author results

1JI3
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CRYSTAL STRUCTURE OF THE FIRST THERMOSTABLE BACTERIAL LIPASE FROM BACILLUS STEAROTHERMOPHILUS
Descriptor:lipase, CALCIUM ION, ZINC ION
Authors:Tyndall, J.D.A., Sinchaikul, S., Fothergill-Gilmore, L.A., Taylor, P., Walkinshaw, M.D.
Deposit date:2001-06-29
Release date:2002-11-01
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Thermostable Lipase from Bacillus stearothermophilus P1
J.Mol.Biol., 323, 2002
4F2K
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MACROPHAGE MIGRATION INHIBITORY FACTOR COVALENTLY COMPLEXED WITH PHENETHYLISOTHIOCYANATE
Descriptor:Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, SULFATE ION, ...
Authors:Tyndall, J.D.A., Bernhagen, J., Hampton, M.B., Wilbanks, S.M., Rutledge, M.T.
Deposit date:2012-05-08
Release date:2012-06-06
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Macrophage migration inhibitory factor covalently complexed with phenethyl isothiocyanate
Acta Crystallogr.,Sect.F, 68, 2012
2G70
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STRUCTURE OF HUMAN PNMT IN COMPLEX WITH INHIBITOR 3-HYDROXYMETHYL-7-NITRO-THIQ AND ADOMET (SAM)
Descriptor:Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE, [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL, ...
Authors:Tyndall, J.D.A., Gee, C.L., Martin, J.L.
Deposit date:2006-02-27
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2G71
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STRUCTURE OF HPNMT WITH INHIBITOR 3-FLUOROMETHYL-7-TRIFLUOROPROPYL-THIQ AND ADOHCY
Descriptor:Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, ...
Authors:Tyndall, J.D.A., Gee, C.L., Martin, J.L.
Deposit date:2006-02-27
Release date:2007-02-13
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2G72
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STRUCTURE OF HPNMT WITH INHIBITOR 3-FLUOROMETHYL-7-THIOMORPHOLINOSULFONAMIDE-THIQ AND ADOMET
Descriptor:Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE, (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Authors:Tyndall, J.D.A., Gee, C.L., Martin, J.L.
Deposit date:2006-02-27
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
5ESI
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) G73W MUTANT
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A., Keniya, M.V., Wilson, R., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESE
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) G73R MUTANT COMPLEXED WITH FLUCONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESF
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) G73E MUTANT COMPLEXED WITH FLUCONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESG
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) G73E MUTANT COMPLEXED WITH ITRACONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESH
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) G73W MUTANT IN COMPLEX WITH ITRACONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESJ
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) G464S MUTANT COMPLEXED WITH FLUCONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESK
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) G464S MUTANT COMPLEXED WITH ITRACONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESL
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) T322I MUTANT COMPLEXED WITH ITRACONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESM
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) T322I MUTANT COMPLEXED WITH FLUCONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESN
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SACCHAROMYCES CEREVISIAE CYP51 (LANOSTEROL 14-ALPHA DEMETHYLASE) T322I MUTANT STRUCTURE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A., Keniya, M.V., Wilson, R.K., Sabherwal, M., Tyndall, J.D.A., Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5JLC
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STRUCTURE OF CYP51 FROM THE PATHOGEN CANDIDA GLABRATA
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, ...
Authors:Keniya, M.V., Sabherwal, M., Wilson, R.K., Sagatova, A.A., Tyndall, J.D.A., Monk, B.C.
Deposit date:2016-04-26
Release date:2016-05-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of CYP51 from the pathogens Candida glabrata and Candida albicans
To Be Published
5V5Z
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STRUCTURE OF CYP51 FROM THE PATHOGEN CANDIDA ALBICANS
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Authors:Keniya, M.V., Sabherwal, M., Wilson, R.K., Sagatova, A.A., Tyndall, J.D.A., Monk, B.C.
Deposit date:2017-03-15
Release date:2017-03-29
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of CYP51 from the pathogens Candida glabrata and Candida albicans
To Be Published
1J1A
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PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIA) WITH ANTI-INFLAMMATORY ACTIVITY
Descriptor:Phospholipase A2, CALCIUM ION, (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
Authors:Hansford, K.A., Reid, R.C., Clark, C.I., Tyndall, J.D.A., Whitehouse, M.W., Guthrie, T., McGeary, R.P., Schafer, K., Martin, J.L., Fairlie, D.P.
Deposit date:2002-12-03
Release date:2003-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D-Tyrosine as a Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (IIa) with Antiinflammatory Activity
Chembiochem, 4, 2003
2AN3
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STRUCTURE OF PNMT WITH S-ADENOSYL-L-HOMOCYSTEINE AND THE SEMI-RIGID ANALOGUE ACCEPTOR SUBSTRATE CIS-(1R,2S)-2-AMINO-1-TETRALOL.
Descriptor:Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
Authors:Gee, C.L., Tyndall, J.D.A., Grunewald, G.L., Wu, Q., McLeish, M.J., Martin, J.L.
Deposit date:2005-08-11
Release date:2006-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
2AN4
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STRUCTURE OF PNMT COMPLEXED WITH S-ADENOSYL-L-HOMOCYSTEINE AND THE ACCEPTOR SUBSTRATE OCTOPAMINE
Descriptor:Phenylethanolamine N-methyltransferase, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Gee, C.L., Tyndall, J.D.A., Grunewald, G.L., Wu, Q., McLeish, M.J., Martin, J.L.
Deposit date:2005-08-11
Release date:2006-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
2AN5
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STRUCTURE OF HUMAN PNMT COMPLEXED WITH S-ADENOSYL-HOMOCYSTEINE AND AN INHIBITOR, TRANS-(1S,2S)-2-AMINO-1-TETRALOL
Descriptor:Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL, ...
Authors:Gee, C.L., Tyndall, J.D.A., Grunewald, G.L., Wu, Q., McLeish, M.J., Martin, J.L.
Deposit date:2005-08-11
Release date:2006-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
4OYQ
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(6-ISOTHIOCYANATOHEXYL)BENZENE INHIBITOR COMPLEXED WITH MACROPHAGE MIGRATION INHIBITORY FACTOR
Descriptor:Macrophage migration inhibitory factor, 6-isothiocyanatohexylbenzene, SULFATE ION, ...
Authors:Spencer, E.S., Dale, E.J., Gommans, A.L., Vo, C.T., Rutledge, M.T., Nakatani, Y., Gamble, A.B., Smith, R.A.J., Wilbanks, S.M., Hampton, M.B., Tyndall, J.D.A.
Deposit date:2014-02-12
Release date:2014-03-05
Last modified:2014-08-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:To be published
To be published
4WMZ
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S. CEREVISIAE CYP51 COMPLEXED WITH FLUCONAZOLE IN THE ACTIVE SITE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Authors:Sagatova, A., Keniya, M.V., Wilson, R., Wilbanks, S.M., Monk, B.C., Tyndall, J.D.A.
Deposit date:2014-10-09
Release date:2015-07-01
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 59, 2015
5EAB
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SACCHAROMYCES CEREVISIAE CYP51 COMPLEXED WITH THE PLANT PATHOGEN INHIBITOR S-TEBUCONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Authors:Tyndall, J.D.A., Sabherwal, M., Sagatova, A.A., Keniya, M.V., Wilson, R.K., Woods, M.V., Monk, B.C.
Deposit date:2015-10-16
Release date:2016-02-10
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
5EAC
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SACCHAROMYCES CEREVISIAE CYP51 COMPLEXED WITH THE PLANT PATHOGEN INHIBITOR R-TEBUCONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Authors:Tyndall, J.D.A., Sabherwal, M., Sagatova, A.A., Keniya, M.V., Wilson, R.K., Woods, M.V., Monk, B.C.
Deposit date:2015-10-16
Release date:2016-02-10
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
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