Author results

2JJI
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ENDOTHIAPEPSIN IN COMPLEX WITH A GEM-DIOL INHIBITOR.
分子名称:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L., Tuan, H.-F., Tomanicek, S.J., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
登録日2008-04-09
公開日2008-05-27
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2JJJ
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ENDOTHIAPEPSIN IN COMPLEX WITH A GEM-DIOL INHIBITOR.
分子名称:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L., Tuan, H.-F., Tomanicek, S.J., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
登録日2008-04-09
公開日2008-05-27
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2VS2
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NEUTRON DIFFRACTION STRUCTURE OF ENDOTHIAPEPSIN IN COMPLEX WITH A GEM- DIOL INHIBITOR.
分子名称:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
著者Coates, L., Tuan, H.-F., Tomanicek, S., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
登録日2008-04-17
公開日2008-05-27
最終更新日2018-11-14
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
1GKT
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NEUTRON LAUE DIFFRACTION STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH TRANSITION STATE ANALOGUE INHIBITOR H261
分子名称:ENDOTHIAPEPSIN, INHIBITOR, H261
著者Coates, L., Erskine, P.T., Wood, S.P., Myles, D.A.A., Cooper, J.B.
登録日2001-08-20
公開日2001-11-20
最終更新日2018-02-14
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献A Neutron Laue Diffraction Study of Endothiapepsin: Implications for the Aspartic Proteinase Mechanism
Biochemistry, 40, 2001
1GVT
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ENDOTHIAPEPSIN COMPLEX WITH CP-80,794
分子名称:ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide, SULFATE ION
著者Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
登録日2002-02-27
公開日2002-07-04
最終更新日2012-11-30
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVU
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ENDOTHIAPEPSIN COMPLEX WITH H189
分子名称:ENDOTHIAPEPSIN, INHIBITOR, H189, ...
著者Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
登録日2002-02-27
公開日2002-07-04
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVV
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FIVE ATOMIC RESOLUTION STRUCTURES OF ENDOTHIAPEPSIN INHIBITOR COMPLEXES; IMPLICATIONS FOR THE ASPARTIC PROTEINASE MECHANISM
分子名称:ENDOTHIAPEPSIN, N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide, SULFATE ION
著者Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
登録日2002-02-27
公開日2002-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVW
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ENDOTHIAPEPSIN COMPLEX WITH PD-130,328
分子名称:ENDOTHIAPEPSIN, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
登録日2002-02-27
公開日2002-07-04
最終更新日2012-11-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVX
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ENDOTHIAPEPSIN COMPLEXED WITH H256
分子名称:ENDOTHIAPEPSIN, INHIBITOR H256, SULFATE ION
著者Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
登録日2002-02-27
公開日2002-07-04
最終更新日2016-12-21
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1OD1
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ENDOTHIAPEPSIN PD135,040 COMPLEX
分子名称:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L., Erskine, P.T., Mall, S., Gill, R.S., Wood, S.P., Cooper, J.B.
登録日2003-02-12
公開日2003-06-12
最終更新日2012-11-30
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献The Structure of Endothiapepsin Complexed with the Gem-Diol Inhibitor Pd-135,040 at 1.37 A
Acta Crystallogr.,Sect.D, 59, 2003
1W1Z
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STRUCTURE OF THE PLANT LIKE 5-AMINOLAEVULINIC ACID DEHYDRATASE FROM CHLOROBIUM VIBRIOFORME
分子名称:DELTA-AMINOLEVULINIC ACID DEHYDRATASE, LAEVULINIC ACID, MAGNESIUM ION
著者Coates, L., Beaven, G., Erskine, P.T., Beale, S.I., Avissar, Y.J., Gill, R., Mohammed, F., Wood, S.P., Shoolingin-Jordan, P., Cooper, J.B.
登録日2004-06-24
公開日2004-09-02
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The X-ray structure of the plant like 5-aminolaevulinic acid dehydratase from Chlorobium vibrioforme complexed with the inhibitor laevulinic acid at 2.6 A resolution.
J. Mol. Biol., 342, 2004
2C1H
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THE X-RAY STRUCTURE OF CHLOROBIUM VIBRIOFORME 5-AMINOLAEVULINIC ACID DEHYDRATASE COMPLEXED WITH A DIACID INHIBITOR
分子名称:DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, 4,7-DIOXOSEBACIC ACID
著者Coates, L., Beaven, G., Erskine, P.T., Beale, S., Wood, S.P., Shoolingin-Jordan, P.M., Cooper, J.B.
登録日2005-09-14
公開日2005-12-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Chlorobium Vibrioforme 5-Aminolaevulinic Acid Dehydratase Complexed with a Diacid Inhibitor.
Acta Crystallogr.,Sect.D, 61, 2005
4C3Q
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NEUTRON STRUCTURE OF A PERDEUTERATED TOHO-1 R274N R276N DOUBLE MUTANT BETA-LACTAMASE IN COMPLEX WITH A FULLY DEUTERATED BORONIC ACID (BZB) AT 100K
分子名称:BETA-LACTAMASE TOHO-1, BENZO[B]THIOPHENE-2-BORONIC ACID
著者Coates, L., Tomanicek, S.J., Schrader, T., Weiss, K.L., Ng, J.D., Ostermann, A.
登録日2013-08-26
公開日2014-07-09
最終更新日2017-03-22
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits
J.Appl.Crystallogr., 47, 2014
5KMW
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TOHO1 BETA LACTAMASE MUTANT E166A/R274N/R276N -BENZYL PENICILLIN COMPLEX
分子名称:Beta-lactamase Toho-1, SULFATE ION, OPEN FORM - PENICILLIN G, ...
著者Coates, L., Langan, P.S., Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Ginell, S.L.
登録日2016-06-27
公開日2017-03-01
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
1OEW
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ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN
分子名称:ENDOTHIAPEPSIN, SERINE, THREONINE, ...
著者Coates, L., Erskine, P.T., Mall, S., Gill, R.S., Wood, S.P., Myles, D.A.A., Cooper, J.B.
登録日2003-03-31
公開日2003-04-02
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
1OEX
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ATOMIC RESOLUTION STRUCTURE OF ENDOTHIAPEPSIN IN COMPLEX WITH A HYDROXYETHYLENE TRANSITION STATE ANALOGUE INHIBITOR H261
分子名称:ENDOTHIAPEPSIN, INHIBITOR H261, GLYCEROL, ...
著者Coates, L., Erskine, P.T., Mall, S., Gill, R.S., Wood, S.P., Myles, D.A.A., Cooper, J.B.
登録日2003-03-31
公開日2003-04-02
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
6C79
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CONFORMATIONAL CHANGES IN A CLASS A BETA LACTAMASE THAT PRIME IT FOR CATALYSIS
分子名称:Beta-lactamase Toho-1, (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, SULFATE ION
著者Coates, L., Langan, P.S., Vandavasi, V.G., Cooper, S.J., Weiss, K.L., Ginell, S.L., Parks, J.M.
登録日2018-01-22
公開日2018-03-21
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C7A
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CONFORMATIONAL CHANGES IN A CLASS A BETA LACTAMASE THAT PRIME IT FOR CATALYSIS
分子名称:Beta-lactamase Toho-1, SULFATE ION
著者Coates, L., Langan, P.S., Vandavasi, V.G., Cooper, S.J., Weiss, K.L., Ginell, S.L., Parks, J.M.
登録日2018-01-22
公開日2018-03-21
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
4XPV
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NEUTRON AND X-RAY STRUCTURE ANALYSIS OF XYLANASE: N44D AT PH6
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-18
公開日2015-09-30
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.7 Å), NEUTRON DIFFRACTION
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQ4
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X-RAY STRUCTURE ANALYSIS OF XYLANASE - N44D
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-19
公開日2015-09-23
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQD
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-WT AT PH4.0
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-19
公開日2015-09-23
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQW
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-N44E WITH MES AT PH6.0
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-20
公開日2015-09-23
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
6EYM
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NEUTRON CRYSTAL STRUCTURE OF PERDEUTERATED GALECTIN-3C IN COMPLEX WITH LACTOSE
分子名称:Galectin-3, BETA-LACTOSE
著者Manzoni, F., Coates, L., Blakeley, M.P., Oksanen, E., Logan, D.T.
登録日2017-11-13
公開日2018-09-12
最終更新日2018-12-12
実験手法X-RAY DIFFRACTION (1.7 Å), NEUTRON DIFFRACTION
主引用文献Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
4CZS
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DISCOVERY OF GLYCOMIMETIC LIGANDS VIA GENETICALLY-ENCODED LIBRARY OF PHAGE DISPLAYING MANNOSE-PEPTIDES
分子名称:CONCANAVALIN-A, MAN-WYD, CALCIUM ION, ...
著者Ng, S., Lin, E., Tjhung, K.F., Gerlits, O., Sood, A., Kasper, B., Deng, L., Kitov, P.I., Matochko, W.L., Paschal, B.M., Noren, C.J., Klassen, J., Mahal, L.K., Coates, L., Woods, R.J., Derda, R.
登録日2014-04-22
公開日2015-04-22
最終更新日2015-07-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Genetically-Encoded Fragment-Based Discovery of Glycopeptide Ligands for Carbohydrate-Binding Proteins.
J.Am.Chem.Soc., 137, 2015
1EB3
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YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 4,7-DIOXOSEBACIC ACID COMPLEX
分子名称:5-AMINOLAEVULINIC ACID DEHYDRATASE, 4,7-DIOXOSEBACIC ACID, ZINC ION
著者Erskine, P.T., Coates, L., Newbold, R., Brindley, A.A., Stauffer, F., Wood, S.P., Warren, M.J., Cooper, J.B., Shoolingin-Jordan, P.M., Neier, R.
登録日2001-07-18
公開日2001-08-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Two Diacid Inhibitors
FEBS Lett., 503, 2001