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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
Descriptor: (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
Authors: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.
Deposit date:2011-01-28
Release date:2011-08-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2011-01-28
Release date:2011-08-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
2W37
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BU of 2w37 by Molmil
CRYSTAL STRUCTURE OF THE HEXAMERIC CATABOLIC ORNITHINE TRANSCARBAMYLASE FROM Lactobacillus hilgardii
Descriptor: NICKEL (II) ION, ORNITHINE CARBAMOYLTRANSFERASE, CATABOLIC
Authors:de las Rivas, B, Fox, G.C, Angulo, I, Rodriguez, H, Munoz, R, Mancheno, J.M.
Deposit date:2008-11-06
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Hexameric Catabolic Ornithine Transcarbamylase from Lactobacillus Hilgardii: Structural Insights Into the Oligomeric Assembly and Metal Binding.
J.Mol.Biol., 393, 2009
2IUN
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BU of 2iun by Molmil
Structure of the C-terminal head domain of the avian adenovirus CELO long fibre (P21 crystal form)
Descriptor: AVIAN ADENOVIRUS CELO LONG FIBRE, CALCIUM ION
Authors:Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J.
Deposit date:2006-06-06
Release date:2007-06-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber.
J. Gen. Virol., 88, 2007
2IZP
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BU of 2izp by Molmil
BipD - an invasion protein associated with the type-III secretion system of Burkholderia pseudomallei.
Descriptor: PUTATIVE MEMBRANE ANTIGEN
Authors:Erskine, P.T, Knight, M.J, Ruaux, A, Mikolajek, H, Wong-Fat-Sang, N, Withers, J, Gill, R, Wood, S.P, Wood, M, Fox, G.C, Cooper, J.B.
Deposit date:2006-07-25
Release date:2006-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High Resolution Structure of Bipd: An Invasion Protein Associated with the Type III Secretion System of Burkholderia Pseudomallei.
J.Mol.Biol., 363, 2006
2IUM
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BU of 2ium by Molmil
Structure of the C-terminal head domain of the avian adenovirus CELO long fibre (C2 crystal form)
Descriptor: AVIAN ADENOVIRUS CELO LONG FIBRE
Authors:Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J.
Deposit date:2006-06-06
Release date:2007-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber.
J. Gen. Virol., 88, 2007
4LIU
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BU of 4liu by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli.
Descriptor: 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Brissett, N.C, Doherty, A.J, Fox, G.C.
Deposit date:2013-07-03
Release date:2014-05-14
Last modified:2014-07-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
6GD7
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BU of 6gd7 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG
Descriptor: Cytochrome c iso-1, GLYCEROL, HEME C, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GD9
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BU of 6gd9 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytochrome c iso-1, HEME C, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: Cytochrome c iso-1, HEME C, sulfonato-calix[8]arene
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
3PKY
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BU of 3pky by Molmil
Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA, UTP and Manganese.
Descriptor: DNA 5'-D(*G*CP*CP*GP*CP*AP*AP*CP*GP*CP*AP*CP*G)-3', DNA 5'-D(P*GP*CP*GP*GP*C)-3', MANGANESE (II) ION, ...
Authors:Brissett, N.C, Fox, G.C, Pitcher, R.S, Doherty, A.J.
Deposit date:2010-11-12
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of a Preternary Complex Involving a Prokaryotic NHEJ DNA Polymerase.
Mol.Cell, 41, 2011
5JRM
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BU of 5jrm by Molmil
Crystal Structure of a Xylanase at 1.56 Angstroem resolution
Descriptor: Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION
Authors:Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
Deposit date:2016-05-06
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of a Xylanase at 1.56 Angstroem resolution
To Be Published
2J16
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BU of 2j16 by Molmil
Apo & Sulphate bound forms of SDP-1
Descriptor: MAGNESIUM ION, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE YIL113W
Authors:Briggs, D.C, McDonald, N.Q.
Deposit date:2006-08-09
Release date:2007-05-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: MAGNESIUM ION, O-PHOSPHOTYROSINE, TYROSINE-PROTEIN PHOSPHATASE YIL113W
Authors:Briggs, D.C, McDonald, N.Q.
Deposit date:2006-08-09
Release date:2007-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases.
Nature, 447, 2007
2IRX
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BU of 2irx by Molmil
Crystal Structure of the Polymerase Domain from Mycobacterium tuberculosis Ligase D with GTP and Manganese.
Descriptor: DNA ligase-like protein Rv0938/MT0965, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION
Authors:Brissett, N.C, Pitcher, R.S, Doherty, A.J.
Deposit date:2006-10-16
Release date:2007-01-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of a mycobacterial NHEJ DNA repair polymerase.
J.Mol.Biol., 366, 2007
6IBQ
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BU of 6ibq by Molmil
Structure of a nonameric RNA duplex at room temperature in ChipX microfluidic device
Descriptor: DNA/RNA (5'-R(*CP*GP*UP*GP*AP*UP*CP*G)-D(P*C)-3'), SULFATE ION
Authors:de Wijn, R, Olieric, V, Lorber, B, Sauter, C.
Deposit date:2018-11-30
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
Descriptor: CCA-adding enzyme
Authors:de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
Deposit date:2018-11-30
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
1XFT
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BU of 1xft by Molmil
Synchrotron X-ray Powder Diffraction Study of Hexagonal Turkey Egg-white Lysozyme
Descriptor: Lysozyme C
Authors:Margiolaki, I, Wright, J.P.
Deposit date:2004-09-15
Release date:2005-04-05
Last modified:2023-10-25
Method:POWDER DIFFRACTION (3.35 Å)
Cite:Synchrotron X-ray powder diffraction study of hexagonal turkey egg-white lysozyme.
Acta Crystallogr.,Sect.D, 61, 2005
5ZMI
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BU of 5zmi by Molmil
Crystal structure of APRT from Y. pseudotuberculosis in complex with adenine.
Descriptor: ADENINE, Adenine phosphoribosyltransferase, SODIUM ION
Authors:Pavithra, G.C, Fox, G.C, Ramagopal, U.A.
Deposit date:2018-04-03
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CCA-adding enzyme
Authors:de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
Deposit date:2018-12-06
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Deglycase PH1704
Authors:de Wijn, R, Engilberge, S, Olieric, V, Girard, E, Sauter, C.
Deposit date:2018-12-04
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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.
Descriptor: Lysozyme C
Authors:Margiolaki, I.
Deposit date:2005-07-04
Release date:2006-01-03
Last modified:2018-04-25
Method:POWDER DIFFRACTION
Cite:High-throughput phase-diagram mapping via powder diffraction: a case study of HEWL versus pH.
Acta Crystallogr.,Sect.D, 61, 2005
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
Authors:Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
Deposit date:2010-05-07
Release date:2010-05-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4B6R
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BU of 4b6r by Molmil
Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
Descriptor: (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors: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.
Deposit date:2012-08-14
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013

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