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2XDA
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BU of 2xda by Molmil
STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-2-(2-Cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
分子名称: (4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
著者Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Castedo, L, Gonzalez-Bello, C.
登録日2010-04-30
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
2XD9
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STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
分子名称: (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
著者Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Lapthorn, A.J, Castedo, L, Gonzalez-Bello, C.
登録日2010-04-30
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
2Y71
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Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate
分子名称: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J.
登録日2011-01-28
公開日2011-08-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
2XB9
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Structure of Helicobacter pylori type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3-dehydroquinic acid
分子名称: (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CITRIC ACID
著者Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J.
登録日2010-04-08
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Chemmedchem, 5, 2010
2Y77
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BU of 2y77 by Molmil
Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate
分子名称: (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J.
登録日2011-01-28
公開日2011-08-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
2Y76
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BU of 2y76 by Molmil
Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate
分子名称: (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J.
登録日2011-01-28
公開日2011-08-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
5JRM
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BU of 5jrm by Molmil
Crystal Structure of a Xylanase at 1.56 Angstroem resolution
分子名称: Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION
著者Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
登録日2016-05-06
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of a Xylanase at 1.56 Angstroem resolution
To Be Published
5JRN
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Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
分子名称: Endo-1,4-beta-xylanase, GLYCEROL, methyl beta-D-xylopyranoside
著者Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
登録日2016-05-06
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
To Be Published
4LIU
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BU of 4liu by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli.
分子名称: 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Brissett, N.C, Doherty, A.J, Fox, G.C.
登録日2013-07-03
公開日2014-05-14
最終更新日2014-07-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
6GD9
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BU of 6gd9 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytochrome c iso-1, HEME C, ...
著者Rennie, M.L, Fox, G.C, Crowley, P.B.
登録日2018-04-23
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GD6
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BU of 6gd6 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with ammonium sulfate
分子名称: Cytochrome c iso-1, HEME C, SULFATE ION, ...
著者Rennie, M.L, Fox, G.C, Crowley, P.B.
登録日2018-04-23
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GD8
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BU of 6gd8 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, P31 form
分子名称: Cytochrome c iso-1, HEME C, sulfonato-calix[8]arene
著者Rennie, M.L, Fox, G.C, Crowley, P.B.
登録日2018-04-23
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GD7
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BU of 6gd7 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG
分子名称: Cytochrome c iso-1, GLYCEROL, HEME C, ...
著者Rennie, M.L, Fox, G.C, Crowley, P.B.
登録日2018-04-23
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
2J16
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BU of 2j16 by Molmil
Apo & Sulphate bound forms of SDP-1
分子名称: MAGNESIUM ION, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE YIL113W
著者Briggs, D.C, McDonald, N.Q.
登録日2006-08-09
公開日2007-05-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases.
Nature, 447, 2007
2J17
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BU of 2j17 by Molmil
pTyr bound form of SDP-1
分子名称: MAGNESIUM ION, O-PHOSPHOTYROSINE, TYROSINE-PROTEIN PHOSPHATASE YIL113W
著者Briggs, D.C, McDonald, N.Q.
登録日2006-08-09
公開日2007-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases.
Nature, 447, 2007
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
分子名称: CCA-adding enzyme
著者de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
登録日2018-11-30
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.536 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
5ZMI
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BU of 5zmi by Molmil
Crystal structure of APRT from Y. pseudotuberculosis in complex with adenine.
分子名称: ADENINE, Adenine phosphoribosyltransferase, SODIUM ION
著者Pavithra, G.C, Fox, G.C, Ramagopal, U.A.
登録日2018-04-03
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis
To be published
6Q52
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BU of 6q52 by Molmil
Structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP at room temperature in ChipX microfluidic device
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CCA-adding enzyme
著者de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
登録日2018-12-06
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6Q3T
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BU of 6q3t by Molmil
Structure of Protease1 from Pyrococcus horikoshii at room temperature in ChipX microfluidic device
分子名称: Deglycase PH1704
著者de Wijn, R, Engilberge, S, Olieric, V, Girard, E, Sauter, C.
登録日2018-12-04
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
2A6U
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BU of 2a6u by Molmil
pH evolution of tetragonal HEWL at 4 degrees Celcius.
分子名称: Lysozyme C
著者Margiolaki, I.
登録日2005-07-04
公開日2006-01-03
最終更新日2018-04-25
実験手法POWDER DIFFRACTION
主引用文献High-throughput phase-diagram mapping via powder diffraction: a case study of HEWL versus pH.
Acta Crystallogr.,Sect.D, 61, 2005
1XFT
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BU of 1xft by Molmil
Synchrotron X-ray Powder Diffraction Study of Hexagonal Turkey Egg-white Lysozyme
分子名称: Lysozyme C
著者Margiolaki, I, Wright, J.P.
登録日2004-09-15
公開日2005-04-05
最終更新日2023-10-25
実験手法POWDER DIFFRACTION (3.35 Å)
主引用文献Synchrotron X-ray powder diffraction study of hexagonal turkey egg-white lysozyme.
Acta Crystallogr.,Sect.D, 61, 2005
4B6P
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BU of 4b6p by Molmil
Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
分子名称: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2012-08-14
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4B6Q
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BU of 4b6q by Molmil
Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2R)-2-(benzothiophen-5-yl)methyl-3-dehydroquinic acid
分子名称: (1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2012-08-14
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4BU2
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BU of 4bu2 by Molmil
60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG)
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ...
著者Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J.
登録日2013-06-19
公開日2014-05-14
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCL
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X-Ray structure of E. coli ycfD
分子名称: 50S RIBOSOMAL PROTEIN L16 ARGININE HYDROXYLASE, MANGANESE (II) ION, SULFATE ION
著者McDonough, M.A, Ho, C.H, Kershaw, N.J, Schofield, C.J.
登録日2013-10-23
公開日2014-04-30
最終更新日2020-06-03
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014

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