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6NLR
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BU of 6nlr by Molmil
Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes with trinuclear metals determined by PIXE revealing sulphate ion in active site. Based on PIXE analysis and original date from 3DCP
Descriptor: CALCIUM ION, COBALT (II) ION, FE (III) ION, ...
Authors:Snell, E.H, Garman, E.F, Lowe, E.D.
Deposit date:2019-01-09
Release date:2019-12-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application.
J.Am.Chem.Soc., 142, 2020
6OE2
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BU of 6oe2 by Molmil
X-Ray Structure of the C-terminal domain (277-440) of Putative chitobiase from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR324A. Re-refinement of 3GGL with correct metal Mn replacing Zn. New metal confirmed with PIXE analysis of original sample.
Descriptor: Chitobiase, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION
Authors:Snell, E.H, Garman, E.F, Lowe, E.D.
Deposit date:2019-03-27
Release date:2019-12-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application.
J.Am.Chem.Soc., 142, 2020
6OBY
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BU of 6oby by Molmil
The nucleotide-binding protein AF_226 in complex with ADP from Archaeoglobus fulgidus with Co found by PIXE. Based on 3KB1.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, Iron-sulfur cluster carrier protein
Authors:Snell, E.H, Garman, E.F, Lowe, E.D.
Deposit date:2019-03-21
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application.
J.Am.Chem.Soc., 142, 2020
6ZPJ
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BU of 6zpj by Molmil
Crystal structure of the unconventional kinetochore protein Leishmania mexicana KKT4 coiled coil domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, Leishmania mexicana KKT4
Authors:Ludzia, P, Lowe, E.D, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B.
Deposit date:2020-07-08
Release date:2020-10-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein.
Structure, 29, 2021
6XZ1
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BU of 6xz1 by Molmil
Conjugate of the HECT domain of HUWE1 with ubiquitin
Descriptor: HECT, UBA and WWE domain containing 1, isoform CRA_a, ...
Authors:Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S.
Deposit date:2020-01-31
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe.
Acs Chem.Biol., 16, 2021
6FB3
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BU of 6fb3 by Molmil
Teneurin 2 Partial Extracellular Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-2, ...
Authors:Jackson, V.A, Carrasquero, M, Lowe, E.D, Seiradake, E.
Deposit date:2017-12-18
Release date:2018-03-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structures of Teneurin adhesion receptors reveal an ancient fold for cell-cell interaction.
Nat Commun, 9, 2018
3LTW
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BU of 3ltw by Molmil
The structure of mycobacterium marinum arylamine n-acetyltransferase in complex with hydralazine
Descriptor: 1-hydrazinophthalazine, Arylamine N-acetyltransferase Nat, FORMIC ACID
Authors:Abuhammad, A.M, Lowe, E.D, Fullam, E, Noble, M, Garman, E.F, Sim, E.
Deposit date:2010-02-16
Release date:2010-07-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the architecture of the Mycobacterium marinum arylamine N-acetyltransferase active site
Protein Cell, 1, 2010
3BLH
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BU of 3blh by Molmil
Crystal Structure of Human CDK9/cyclinT1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3BLR
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BU of 3blr by Molmil
Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
Descriptor: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ...
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
5JZS
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BU of 5jzs by Molmil
HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid
Descriptor: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid
Authors:Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E.
Deposit date:2016-05-17
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
3EJH
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BU of 3ejh by Molmil
Crystal Structure of the Fibronectin 8-9FnI Domain Pair in Complex with a Type-I Collagen Peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen type-I a1 chain, Fibronectin, ...
Authors:Erat, M.C, Lowe, E.D, Campbell, I.D, Vakonakis, I.
Deposit date:2008-09-18
Release date:2009-02-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and structural analysis of type I collagen sites in complex with fibronectin fragments.
Proc.Natl.Acad.Sci.USA, 106, 2009
2Y3F
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BU of 2y3f by Molmil
Traptavidin, biotin bound form
Descriptor: BIOTIN, GLYCEROL, STREPTAVIDIN
Authors:Chivers, C.E, Koner, A.L, Lowe, E.D, Howarth, M.
Deposit date:2010-12-20
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:How the Biotin-Streptavidin Interaction Was Made Even Stronger: Investigation Via Crystallography and a Chimeric Tetramer.
Biochem.J., 435, 2011
2Y3E
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BU of 2y3e by Molmil
Traptavidin, apo-form
Descriptor: GLYCEROL, STREPTAVIDIN
Authors:Chivers, C.E, Koner, A.L, Lowe, E.D, Howarth, M.
Deposit date:2010-12-20
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:How the Biotin-Streptavidin Interaction Was Made Even Stronger: Investigation Via Crystallography and a Chimeric Tetramer.
Biochem.J., 435, 2011
2XLL
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BU of 2xll by Molmil
The crystal structure of bilirubin oxidase from Myrothecium verrucaria
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIRUBIN OXIDASE, COPPER (II) ION
Authors:McNamara, T.P, Lowe, E.D, Cracknell, J.A, Blanford, C.F.
Deposit date:2010-07-21
Release date:2011-04-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Bilirubin Oxidase from Myrothecium Verrucaria: X- Ray Determination of the Complete Crystal Structure and a Rational Surface Modification for Enhanced Electrocatalytic O(2) Reduction.
Dalton Trans, 40, 2011
2WUE
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BU of 2wue by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with HOPODA
Descriptor: (3E,5R)-8-(2-CHLOROPHENYL)-5-METHYL-2,6-DIOXOOCT-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, THIOCYANATE ION
Authors:Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D.
Deposit date:2009-10-02
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
2WUD
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BU of 2wud by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis
Descriptor: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, THIOCYANATE ION
Authors:Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D.
Deposit date:2009-10-02
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
2WUF
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BU of 2wuf by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with 4,9DSHA
Descriptor: (3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, ...
Authors:Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D.
Deposit date:2009-10-02
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
4BX5
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BU of 4bx5 by Molmil
cis-divalent streptavidin
Descriptor: 1,2-ETHANEDIOL, STREPTAVIDIN, TETRAETHYLENE GLYCOL
Authors:Fairhead, M, Krndija, D, Lowe, E.D, Howarth, M.
Deposit date:2013-07-08
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.431 Å)
Cite:Plug-and-Play Pairing Via Defined Divalent Streptavidins.
J.Mol.Biol., 426, 2014
4BX7
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BU of 4bx7 by Molmil
trans-divalent streptavidin bound to biotin-4-fluorescein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, STREPTAVIDIN, biotin-4-fluorescein
Authors:Fairhead, M, Krndija, D, Lowe, E.D, Howarth, M.
Deposit date:2013-07-08
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Plug-and-Play Pairing Via Defined Divalent Streptavidins.
J.Mol.Biol., 426, 2014
4BX6
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BU of 4bx6 by Molmil
trans-divalent streptavidin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, STREPTAVIDIN
Authors:Fairhead, M, Krndija, D, Lowe, E.D, Howarth, M.
Deposit date:2013-07-08
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Plug-and-Play Pairing Via Defined Divalent Streptavidins.
J.Mol.Biol., 426, 2014
4AS5
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BU of 4as5 by Molmil
Structure of mouse inositol monophosphatase 1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, INOSITOL MONOPHOSPHATASE 1, ...
Authors:Singh, N, Knight, M, Halliday, A.C, Lack, N.A, Lowe, E.D, Churchill, G.C.
Deposit date:2012-04-27
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Cloning, Expression, Purification, Crystallization and X-Ray Analysis of Inositol Monophosphatase from Mus Musculus and Homo Sapiens.
Acta Crystallogr.,Sect.F, 68, 2012
4BGF
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BU of 4bgf by Molmil
The 3D-structure of arylamine-N-acetyltransferase from M. tuberculosis
Descriptor: ARYLAMINE N-ACETYLTRANSFERASE NAT
Authors:Abuhammad, A, Lowe, E.D, McDonough, M.A, Shaw Stewart, P.D, Kolek, S.A, Sim, E, Garman, E.F.
Deposit date:2013-03-26
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Structure of arylamine N-acetyltransferase from Mycobacterium tuberculosis determined by cross-seeding with the homologous protein from M. marinum: triumph over adversity.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
4CPH
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BU of 4cph by Molmil
trans-divalent streptavidin with love-hate ligand 4
Descriptor: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide, STREPTAVIDIN
Authors:Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
4CPF
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BU of 4cpf by Molmil
Wild-type streptavidin in complex with love-hate ligand 3 (LH3)
Descriptor: STREPTAVIDIN, methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate
Authors:Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
4CPI
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BU of 4cpi by Molmil
streptavidin A86D mutant with love-hate ligand 4
Descriptor: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014

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