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PDB: 182 件
5G26
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Unveiling the Mechanism Behind the in-meso Crystallization of Membrane Proteins
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, INTIMIN
著者Zabara, A, Newman, J, Peat, T.S.
登録日2016-04-07
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The Nanoscience Behind the Art of in-Meso Crystallization of Membrane Proteins.
Nanoscale, 9, 2017
5HY4
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Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes
分子名称: Ring-opening amidohydrolase
著者Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
登録日2016-02-01
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
5HY0
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orotic acid hydrolase
分子名称: GLYCEROL, Ring-opening amidohydrolase
著者Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
登録日2016-02-01
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
7PSP
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BU of 7psp by Molmil
Crystal structure of S100A4 labeled with NU000846b.
分子名称: (2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, CALCIUM ION, Protein S100-A4
著者Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Arruda Bezerra, G, Krojer, T, Koekemoer, L, Von Delft, F, Bountr, C, Brennan, P, Fedorov, O.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of S100A4 labeled with NU000846b.
To Be Published
3PN1
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BU of 3pn1 by Molmil
Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase
著者Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S.
登録日2010-11-18
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
6G0Q
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Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated GATA1 peptide (K312ac/K315ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Erythroid transcription factor
著者Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2018-03-19
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
6G0O
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Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX
著者Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2018-03-19
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
5NNG
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Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, VAG(ALY)YS(ALY)EFFY
著者Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC)
登録日2017-04-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
5FDP
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Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
分子名称: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
6FNU
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Structure of S. cerevisiae Methylenetetrahydrofolate reductase 1, catalytic domain
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase 1
著者Kopec, J, Rembeza, E, Bezerra, G.A, Newman, J, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-02-05
公開日2018-03-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018
5FDX
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Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
分子名称: 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
著者Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
6G4Q
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Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
分子名称: 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ...
著者Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2018-03-28
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
To Be Published
5LTU
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BU of 5ltu by Molmil
Crystal Structure of NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
分子名称: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2
著者Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Newman, J, Strain-Damerell, C, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal Structure of Human NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
To Be Published
5MQ4
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BU of 5mq4 by Molmil
Crystal Structure of the leucine zipper of human PRKCBP1
分子名称: Protein kinase C-binding protein 1, SULFATE ION, ZINC ION
著者Krojer, T, Savitsky, P, Picaud, S, Newman, J, Tallant, C, Heroven, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
登録日2016-12-20
公開日2017-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the leucine zipper of human PRKCBP1
To Be Published
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
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MALONATE ION, ...
著者Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C.
登録日2014-02-13
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
4CNR
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BU of 4cnr by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
分子名称: CARBONIC ANHYDRASE 2, ZINC ION
著者Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
登録日2014-01-24
公開日2015-02-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4CYY
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The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PANTETHEINASE
著者Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S.
登録日2014-04-16
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation
Acta Crystallogr.,Sect.D, 70, 2014
4CYG
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The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation
分子名称: (2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S.
登録日2014-04-11
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation
Acta Crystallogr.,Sect.D, 70, 2014
4CYF
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The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PANTETHEINASE
著者Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S.
登録日2014-04-11
公開日2014-12-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation
Acta Crystallogr.,Sect.D, 70, 2014
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
分子名称: CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION
著者Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
登録日2014-01-25
公開日2015-02-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4BVS
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BU of 4bvs by Molmil
Cyanuric acid hydrolase: evolutionary innovation by structural concatenation.
分子名称: 1,3,5-triazine-2,4,6-triamine, CYANURIC ACID AMIDOHYDROLASE, MAGNESIUM ION
著者Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C.
登録日2013-06-28
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
4BVT
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BU of 4bvt by Molmil
Cyanuric acid hydrolase: evolutionary innovation by structural concatenation
分子名称: BARBITURIC ACID, CYANURIC ACID AMIDOHYDROLASE, DI(HYDROXYETHYL)ETHER, ...
著者Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C.
登録日2013-06-28
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
4CP8
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BU of 4cp8 by Molmil
Structure of the amidase domain of allophanate hydrolase from Pseudomonas sp strain ADP
分子名称: ALLOPHANATE HYDROLASE, MALONATE ION
著者Balotra, S, Newman, J, French, N, French, L, Peat, T.S, Scott, C.
登録日2014-02-03
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray Structure of the Amidase Domain of Atzf, the Allophanate Hydrolase from the Cyanuric Acid-Mineralizing Multienzyme Complex.
Appl.Environ.Microbiol., 81, 2015
4CQD
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BU of 4cqd by Molmil
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MALONATE ION, ...
著者Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C.
登録日2014-02-13
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
5TI8
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Crystal Structure of an aspartate aminotransferase from Pseudomonas
分子名称: Aminotransferase, CALCIUM ION
著者Peat, T.S, Newman, J.
登録日2016-10-01
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of a putrescine aminotransferase from Pseudomonas sp. strain AAC.
Acta Crystallogr F Struct Biol Commun, 73, 2017

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