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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2023-11-15
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
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2023-11-15
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
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2023-11-15
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
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2023-11-15
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2023-11-15
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
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2023-11-15
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
5KMW
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TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
分子名称: Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, 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2019-12-04
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
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2023-11-15
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
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2023-11-15
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
2C1H
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BU of 2c1h by Molmil
The X-ray Structure of Chlorobium vibrioforme 5-Aminolaevulinic Acid Dehydratase Complexed with a Diacid Inhibitor
分子名称: 4,7-DIOXOSEBACIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION
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2023-12-13
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
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2023-12-13
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
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2023-12-13
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
4C3Q
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BU of 4c3q by Molmil
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: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1
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
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
8E4J
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Room-temperature X-ray structure of SARS-CoV-2 main protease H41A miniprecursor mutant
分子名称: Replicase polyprotein 1ab
著者Coates, L, Kneller, D.W, Kovalevsky, A.
登録日2022-08-18
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor.
J.Mol.Biol., 434, 2022
8E4R
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Room-temperature X-ray structure of SARS-CoV-2 main protease H41A miniprecursor mutant in complex with GC373
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1ab
著者Coates, L, Kneller, D.W, Kovalevsky, A.
登録日2022-08-18
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor.
J.Mol.Biol., 434, 2022
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2024-03-13
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
6C79
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Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
分子名称: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, 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2024-03-13
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
1OEW
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ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN
分子名称: ENDOTHIAPEPSIN, GLYCEROL, SERINE, ...
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2023-11-15
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, GLYCEROL, INHIBITOR H261, ...
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2023-11-15
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
4XQD
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X-ray structure analysis of xylanase-WT at pH4.0
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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2023-09-27
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: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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2015-01-20
公開日2015-09-23
最終更新日2023-09-27
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
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2023-09-27
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY 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2023-09-27
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
6WQF
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Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed by Room Temperature X-ray Crystallography
分子名称: 3C-like proteinase
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-04-28
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural plasticity of SARS-CoV-2 3CL Mproactive site cavity revealed by room temperature X-ray crystallography.
Nat Commun, 11, 2020

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