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PDB: 304 件

3AVG
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BU of 3avg by Molmil
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ...
著者Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I.
登録日2011-03-05
公開日2012-01-18
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
7MU3
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BU of 7mu3 by Molmil
human carbonic anhydrase 9 mimic with compound
分子名称: Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ...
著者Peat, T.S.
登録日2021-05-14
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors.
Bioorg.Med.Chem.Lett., 49, 2021
7MXZ
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BU of 7mxz by Molmil
Sy-CrtE apo structure
分子名称: CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION
著者Peat, T.S, Newman, J.
登録日2021-05-19
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MY1
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BU of 7my1 by Molmil
Sy-CrtE structure with IPP, N-term His-tag
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, ...
著者Peat, T.S, Newman, J.
登録日2021-05-19
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MY7
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BU of 7my7 by Molmil
Se-CrtE N-term His-tag structure
分子名称: Farnesyl-diphosphate synthase
著者Peat, T.S, Newman, J.
登録日2021-05-20
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
1QP8
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BU of 1qp8 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE FORMATE DEHYDROGENASE FROM PYROBACULUM AEROPHILUM
分子名称: FORMATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Peat, T.S, Newman, J, Waldo, G.S, Terwilliger, T.C.
登録日1999-06-01
公開日1999-06-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of a Putative Formate Dehydrogenase from Pyrobaculum Aerophilum
To be Published
6PII
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BU of 6pii by Molmil
The evolving story of AtzT, a periplasmic binding protein
分子名称: Atrazine periplasmic binding protein, CALCIUM ION, ETHYL MERCURY ION, ...
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6PGX
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BU of 6pgx by Molmil
Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity
分子名称: 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S.
登録日2019-06-25
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity.
Eur.J.Med.Chem., 181, 2019
6PI5
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BU of 6pi5 by Molmil
The evolving story of AtzT, a periplasmic binding protein
分子名称: Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE, GUANINE
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6PI6
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BU of 6pi6 by Molmil
The evolving story of AtzT, a periplasmic binding protein
分子名称: 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol, Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6OE0
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BU of 6oe0 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S.
登録日2019-03-27
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6ODZ
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BU of 6odz by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S.
登録日2019-03-27
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6OE1
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BU of 6oe1 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S.
登録日2019-03-27
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6AZS
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BU of 6azs by Molmil
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Peat, T.S, Esquirol, L, Newman, J, Scott, C.
登録日2017-09-11
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841.
PLoS ONE, 13, 2018
6AZO
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BU of 6azo by Molmil
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841
分子名称: CHLORIDE ION, Putative amidase
著者Peat, T.S, Esquirol, L, Newman, J, Scott, C.
登録日2017-09-11
公開日2018-02-21
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841.
PLoS ONE, 13, 2018
6AZN
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BU of 6azn by Molmil
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative amidase
著者Peat, T.S, Esquirol, L, Newman, J, Scott, C.
登録日2017-09-11
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841.
PLoS ONE, 13, 2018
6AZQ
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BU of 6azq by Molmil
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841
分子名称: CALCIUM ION, Putative amidase, dicarbonimidic diamide
著者Peat, T.S, Esquirol, L, Newman, J, Scott, C.
登録日2017-09-11
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841.
PLoS ONE, 13, 2018
6B4M
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BU of 6b4m by Molmil
Structural characterization of a novel monotreme-specific protein from the milk of the platypus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ...
著者Peat, T.S, Newman, J, Sharp, J.A, Kumar, A, Nicholas, K.R, Adams, T.E.
登録日2017-09-27
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
6BJT
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BU of 6bjt by Molmil
The structure of AtzH: a little known member of the atrazine breakdown pathway
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L.
登録日2017-11-07
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel decarboxylating amidohydrolase involved in avoiding metabolic dead ends during cyanuric acid catabolism in Pseudomonas sp. strain ADP.
PLoS ONE, 13, 2018
6CEH
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BU of 6ceh by Molmil
Design, Synthesis, X-ray and Biological Activities of Selenides Bearing the Benzenesulfonamide Moiety as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology
分子名称: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, di Cesare Mannelli, L, Trallori, E, Ghelardini, C, Carta, F, Supuran, C.T.
登録日2018-02-11
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Design, Synthesis, and X-ray of Selenides as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology.
ACS Med Chem Lett, 9, 2018
6C7W
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BU of 6c7w by Molmil
Carbonic anhydrase 2 in complex with [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE inhibitor
分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION, ...
著者Peat, T.S, Mujumdar, P, Poulsen, S.A.
登録日2018-01-23
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
6C62
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BU of 6c62 by Molmil
An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme.
分子名称: AtzG, Biuret hydrolase, MAGNESIUM ION
著者Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C.
登録日2018-01-17
公開日2018-03-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme.
J. Biol. Chem., 293, 2018
6C6G
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BU of 6c6g by Molmil
An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. Inhibitor bound complex.
分子名称: AtzG, Biuret hydrolase, CALCIUM ION
著者Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C.
登録日2018-01-18
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme.
J. Biol. Chem., 293, 2018
6D1L
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BU of 6d1l by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
分子名称: 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
登録日2018-04-12
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018
6BJU
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BU of 6bju by Molmil
The structure of AtzH: a little known member of the atrazine breakdown pathway
分子名称: AtzH
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L.
登録日2017-11-07
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A novel decarboxylating amidohydrolase involved in avoiding metabolic dead ends during cyanuric acid catabolism in Pseudomonas sp. strain ADP.
PLoS ONE, 13, 2018

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