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PDB: 306 件

4V1X
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The structure of the hexameric atrazine chlorohydrolase, AtzA
分子名称: ATRAZINE CHLOROHYDROLASE, DI(HYDROXYETHYL)ETHER, FE (III) ION
著者Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C.
登録日2014-10-04
公開日2015-03-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015
4V1Y
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BU of 4v1y by Molmil
The structure of the hexameric atrazine chlorohydrolase, AtzA
分子名称: 1,2-ETHANEDIOL, ATRAZINE CHLOROHYDROLASE, CHLORIDE ION, ...
著者Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C.
登録日2014-10-04
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015
5TFX
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BU of 5tfx by Molmil
New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
分子名称: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ...
著者Peat, T.S, Supuran, C.
登録日2016-09-26
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
Org. Biomol. Chem., 14, 2016
5TI8
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BU of 5ti8 by Molmil
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
3NF7
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BU of 3nf7 by Molmil
Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
分子名称: 1,2-ETHANEDIOL, 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ...
著者Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
登録日2010-06-09
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
3NF8
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Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
分子名称: 6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ...
著者Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
登録日2010-06-09
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
3NFA
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BU of 3nfa by Molmil
Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
分子名称: 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ...
著者Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
登録日2010-06-10
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
6WKA
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BU of 6wka by Molmil
human carbonic anhydrase II bound to an inhibitor modified with azidothymidine
分子名称: 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION
著者Peat, T.S.
登録日2020-04-15
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors.
J.Med.Chem., 63, 2020
3NF6
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BU of 3nf6 by Molmil
Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
分子名称: 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ...
著者Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
登録日2010-06-09
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
3NF9
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BU of 3nf9 by Molmil
Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
分子名称: 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ...
著者Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
登録日2010-06-10
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
6WEV
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BU of 6wev by Molmil
Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
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, CALCIUM ION, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WET
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BU of 6wet by Molmil
Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-02
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WEU
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BU of 6weu by Molmil
Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate
分子名称: 1,2-ETHANEDIOL, 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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WFJ
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BU of 6wfj by Molmil
Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
4CGF
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BU of 4cgf by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ...
著者Peat, T.S.
登録日2013-11-23
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CJT
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BU of 4cjt by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-benzoxazol-3-amine, ACETATE ION, GLYCEROL, ...
著者Peat, T.S.
登録日2013-12-23
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
3AVH
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BU of 3avh 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2024-10-23
実験手法X-RAY DIFFRACTION (1.88 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
3AVL
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BU of 3avl 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2024-10-30
実験手法X-RAY DIFFRACTION (1.88 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
3AV9
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BU of 3av9 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2011-03-02
公開日2012-01-18
最終更新日2024-10-30
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
3AVF
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BU of 3avf 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2024-10-30
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
3AVN
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BU of 3avn 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2024-10-30
実験手法X-RAY DIFFRACTION (2.1 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
3AVA
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BU of 3ava 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2011-03-02
公開日2012-01-18
最終更新日2024-10-09
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
3AVI
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BU of 3avi 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2012-02-15
最終更新日2024-10-16
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
3AVB
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BU of 3avb 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2011-03-02
公開日2012-01-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 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
3AVJ
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BU of 3avj 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2024-10-30
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

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件を2024-11-06に公開中

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