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PDB: 250 results

4OZR
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BU of 4ozr by Molmil
Crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (methylene lactam crystal)
Descriptor: Ecdysone receptor, Retinoid X receptor
Authors:Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J.
Deposit date:2014-02-18
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits.
Acta Crystallogr.,Sect.D, 70, 2014
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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BU of 4uhm by Molmil
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
6BA4
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BU of 6ba4 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor
Descriptor: ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ...
Authors:Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
Deposit date:2017-10-12
Release date:2018-08-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
6BA2
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BU of 6ba2 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor
Descriptor: 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ...
Authors:Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
Deposit date:2017-10-11
Release date:2018-08-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85003817 Å)
Cite:Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 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
5KQT
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BU of 5kqt by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminoburyrate transaminase, CHLORIDE ION, GLYCEROL, ...
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 (1.99 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KR3
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BU of 5kr3 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 (1.95 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KQW
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BU of 5kqw by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, DI(HYDROXYETHYL)ETHER, ...
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 (2.23 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KR5
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BU of 5kr5 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
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 (2.1 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
4AHU
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BU of 4ahu by Molmil
Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification
Descriptor: 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ...
Authors:Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J.
Deposit date:2012-02-07
Release date:2012-12-19
Last modified:2023-12-20
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
1CQW
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BU of 1cqw by Molmil
NAI COCRYSTALLISED WITH HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
Descriptor: HALOALKANE DEHALOGENASE; 1-CHLOROHEXANE HALIDOHYDROLASE, IODIDE ION
Authors:Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C.
Deposit date:1999-08-11
Release date:1999-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
5WEX
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BU of 5wex by Molmil
Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors
Descriptor: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Tanini, D, Peat, T.S, Di Cesare Mannelli, L, Bartolucci, G, Capperucci, A, Ghelardini, C, Supuran, C.T, Carta, F.
Deposit date:2017-07-10
Release date:2017-10-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
7M26
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BU of 7m26 by Molmil
Human carbonic anhydrase II in complex with pioglitazone
Descriptor: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M24
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BU of 7m24 by Molmil
Human carbonic anhydrase II in complex with (R)-rosiglitazone
Descriptor: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M23
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BU of 7m23 by Molmil
Human carbonic anhydrase II in complex with troglitazone
Descriptor: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.139 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
6MAK
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BU of 6mak by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
5ETK
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BU of 5etk by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.09 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, CALCIUM ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETO
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BU of 5eto by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.07 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, CALCIUM ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETL
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BU of 5etl by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.82 angstrom resolution
Descriptor: 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016

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