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PDB: 306 results

4V00
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BU of 4v00 by Molmil
Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MONOTREME LACTATING PROTEIN
Authors:Enjapoori, A.K, Newman, J, Polekina, G, Adams, T.E, Sharp, J.A, Peat, T.S, Nicholas, K.R.
Deposit date:2014-09-10
Release date:2015-09-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4V3J
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BU of 4v3j by Molmil
Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MONOTREME LACTATING PROTEIN
Authors:Kumar, A, Newman, J, Polekina, G, Adams, T.E, Sharp, J.A, Peat, T.S, Nicholas, K.R.
Deposit date:2014-10-20
Release date:2016-01-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5KR4
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BU of 5kr4 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KR6
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BU of 5kr6 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KQU
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BU of 5kqu by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
7SWR
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BU of 7swr by Molmil
Crystal structure of the chromoprotein gfasPurple
Descriptor: CHLORIDE ION, Chromoprotein gfasPurple
Authors:Caputo, A.T, Newman, J, Peat, T.S, Scott, C, Ahmed, H.
Deposit date:2021-11-21
Release date:2022-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed.
Acta Crystallogr D Struct Biol, 78, 2022
5V79
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BU of 5v79 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-phenylacetamide
Descriptor: 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, Dihydropteroate synthase, NITRATE ION
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2017-03-20
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5V7A
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E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)acetic acid
Descriptor: CHLORIDE ION, Dihydropteroate synthase, [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2017-03-20
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
4RN4
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BU of 4rn4 by Molmil
Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety
Descriptor: 2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole, Carbonic anhydrase 2, FORMIC ACID, ...
Authors:Ren, B, Tanpure, R, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S.
Deposit date:2014-10-22
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site.
J.Med.Chem., 58, 2015
4UHN
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BU of 4uhn by Molmil
Characterization of a Novel Transaminase from Pseudomonas sp. Strain AAC
Descriptor: ACETIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Wilding, M, Peat, T.S, Newman, J, Scott, C.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A Beta-Alanine Catabolism Pathway Containing a Highly Promiscuous Omega-Transaminase in the 12-Aminododecanate-Degrading Pseudomonas Sp. Strain Aac.
Appl.Environ.Microbiol., 82, 2016
4UHM
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Characterization of a Novel Transaminase from Pseudomonas sp. Strain AAC
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ...
Authors:Wilding, M, Peat, T.S, Newman, J, Scott, C.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A Beta-Alanine Catabolism Pathway Containing a Highly Promiscuous Omega-Transaminase in the 12-Aminododecanate-Degrading Pseudomonas Sp. Strain Aac.
Appl.Environ.Microbiol., 82, 2016
4UHO
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BU of 4uho by Molmil
Characterization of a Novel Transaminase from Pseudomonas sp. Strain AAC
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ...
Authors:Wilding, M, Peat, T.S, Newman, J, Scott, C.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A Beta-Alanine Catabolism Pathway Containing a Highly Promiscuous Omega-Transaminase in the 12-Aminododecanate-Degrading Pseudomonas Sp. Strain Aac.
Appl.Environ.Microbiol., 82, 2016
6PG5
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BU of 6pg5 by Molmil
WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Descriptor: SULFATE ION, WD repeat-containing protein 5, benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGB
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BU of 6pgb by Molmil
WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide
Descriptor: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG3
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BU of 6pg3 by Molmil
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
Descriptor: (2-butyl-1H-imidazol-4-yl)methanol, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG8
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BU of 6pg8 by Molmil
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Descriptor: CHLORIDE ION, SULFATE ION, WD repeat-containing protein 5, ...
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG4
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BU of 6pg4 by Molmil
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
Descriptor: (2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG9
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BU of 6pg9 by Molmil
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
Descriptor: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGA
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BU of 6pga by Molmil
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Descriptor: SULFATE ION, WD repeat-containing protein 5, methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
8DFY
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BU of 8dfy by Molmil
Crystal structure of Human BTN2A1 Ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ...
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.552 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFX
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BU of 8dfx by Molmil
Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (5.55 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFW
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Crystal Structure of Human BTN2A1 in Complex With Vgamma9-Vdelta2 T Cell Receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ...
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
5U0W
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BU of 5u0w by Molmil
E. coli dihydropteroate synthase complexed with 9-methylguanine
Descriptor: 9-METHYLGUANINE, ACETIC ACID, Dihydropteroate synthase
Authors:Chhabra, S, Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U0Z
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BU of 5u0z by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative
Descriptor: (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U12
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E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
Descriptor: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018

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