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4CQB
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BU of 4cqb by Molmil
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MALONATE ION, ...
Authors:Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C.
Deposit date:2014-02-13
Release date:2015-03-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
4D70
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BU of 4d70 by Molmil
Structural, biophysical and biochemical analyses of a Clostridium perfringens Sortase D5 transpeptidase
Descriptor: SORTASE FAMILY PROTEIN
Authors:Suryadinata, R, Seabrook, S, Adams, T.E, Nuttall, S.D, Peat, T.S.
Deposit date:2014-11-19
Release date:2015-07-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and Biochemical Analyses of a Clostridium Perfringens Sortase D Transpeptidase
Acta Crystallogr.,Sect.D, 71, 2015
4CNW
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BU of 4cnw by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-25
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4CQC
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BU of 4cqc by Molmil
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE, ...
Authors:Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C.
Deposit date:2014-02-13
Release date:2015-03-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
4CNX
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BU of 4cnx by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CARBONIC ANHYDRASE 2, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-25
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
5TJR
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BU of 5tjr by Molmil
X-ray Crystal structure of a methylmalonate semialdehyde dehydrogenase from Pseudomonas sp. AAC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Methylmalonate-semialdehyde dehydrogenase
Authors:Peat, T.S, Newman, J.
Deposit date:2016-10-05
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
7RG7
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BU of 7rg7 by Molmil
Crystal structure of nanoclamp8:VHH in complex with MTX
Descriptor: MAGNESIUM ION, METHOTREXATE, nano CLostridial Antibody Mimetic Protein 8 VHH
Authors:Guo, Z, Peat, T, Newman, J, Alexandrov, K.
Deposit date:2021-07-14
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design of a methotrexate-controlled chemical dimerization system and its use in bio-electronic devices.
Nat Commun, 12, 2021
3K36
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BU of 3k36 by Molmil
Crystal Structure of B/Perth Neuraminidase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
1J6X
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BU of 1j6x by Molmil
CRYSTAL STRUCTURE OF HELICOBACTER PYLORI LUXS
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION
Authors:Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
Deposit date:2001-05-14
Release date:2001-06-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
1J6W
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BU of 1j6w by Molmil
CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION
Authors:Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
Deposit date:2001-05-14
Release date:2001-06-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
1INN
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BU of 1inn by Molmil
CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION
Authors:Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
Deposit date:2001-05-14
Release date:2001-06-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
1J6V
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BU of 1j6v by Molmil
CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION
Authors:Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
Deposit date:2001-05-14
Release date:2001-06-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
5SZF
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BU of 5szf by Molmil
2A10 FAB fragment 2.54 Angstoms
Descriptor: 2A10 antibody FAB fragment heavy chain, 2A10 antibody FAB fragment light chain, SULFATE ION
Authors:Jackson, C.J, Fisher, C.
Deposit date:2016-08-13
Release date:2017-07-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:T-dependent B cell responses to Plasmodium induce antibodies that form a high-avidity multivalent complex with the circumsporozoite protein.
PLoS Pathog., 13, 2017
3H96
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BU of 3h96 by Molmil
Msmeg_3358 F420 Reductase
Descriptor: 1,2-ETHANEDIOL, F420-H2 Dependent Reductase A
Authors:Jackson, C.J, French, N, Newman, J, Taylor, M.C, Russell, R.J, Oakeshott, J.G.
Deposit date:2009-04-30
Release date:2010-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and characterization of two families of F420 H2-dependent reductases from Mycobacteria that catalyse aflatoxin degradation.
Mol.Microbiol., 78, 2010
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
Descriptor: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
Authors:Greasley, S.E, Johnson, E, Brodsky, O.
Deposit date:2022-06-17
Release date:2023-07-05
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
3K39
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BU of 3k39 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
1JI8
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BU of 1ji8 by Molmil
Solution Structure of Pyrobaculum Aerophilum DsrC/gamma subunit of dissimilatory sulfite reductase
Descriptor: dissimilatory siroheme-sulfite reductase
Authors:Cort, J.R, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-06-29
Release date:2001-12-05
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of Pyrobaculum aerophilum DsrC, an archaeal homologue of the gamma subunit of dissimilatory sulfite reductase.
Eur.J.Biochem., 268, 2001
4L9X
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BU of 4l9x by Molmil
Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli
Descriptor: ACETATE ION, Triazine hydrolase
Authors:Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C.
Deposit date:2013-06-18
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization.
Appl.Environ.Microbiol., 80, 2014
4LH8
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BU of 4lh8 by Molmil
Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli
Descriptor: Triazine hydrolase, ZINC ION
Authors:Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C.
Deposit date:2013-07-01
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization.
Appl.Environ.Microbiol., 80, 2014
3K37
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BU of 3k37 by Molmil
Crystal Structure of B/Perth Neuraminidase in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K38
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BU of 3k38 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K3A
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BU of 3k3a by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
1VJE
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BU of 1vje by Molmil
Crystal structure of a autoinducer-2 synthesis protein with bound selenomethionine
Descriptor: Autoinducer-2 production protein LuxS, SELENOMETHIONINE, ZINC ION
Authors:Structural GenomiX
Deposit date:2004-02-03
Release date:2004-02-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Structural Genomics Approach to the Study of Quorum Sensing: Crystal Structures of Three LuxS Orthologs
Structure, 9, 2001
3ALA
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BU of 3ala by Molmil
Crystal structure of vascular adhesion protein-1 in space group C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ernberg, K.E, McGrath, A.P, Guss, J.M.
Deposit date:2010-07-29
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A new crystal form of human vascular adhesion protein 1
Acta Crystallogr.,Sect.F, 66, 2010
3VQ4
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BU of 3vq4 by Molmil
Fragments bound to HIV-1 integrase
Descriptor: (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013

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