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7AT0
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BU of 7at0 by Molmil
Structure of the Hormone-Sensitive Lipase like EstD11
分子名称: EstD11, FORMIC ACID, PHENOL
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-28
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT4
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BU of 7at4 by Molmil
Structure of EstD11 in complex with Naproxen
分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-28
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT3
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BU of 7at3 by Molmil
Structure of EstD11 in complex with Naproxen and methanol
分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID, ...
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-28
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7ATD
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BU of 7atd by Molmil
Structure of inactive EstD11 S144A in complex with methyl-naproxen
分子名称: ACETATE ION, EstD11 S144A, FORMIC ACID, ...
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-29
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AUY
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BU of 7auy by Molmil
Structure of EstD11 in complex with Fluorescein
分子名称: EstD11, FLUORESCIN, FORMIC ACID
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-11-03
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7ATQ
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BU of 7atq by Molmil
Structure of EstD11 in complex with cyclohexane carboxylic acid
分子名称: ACETATE ION, EstD11, FORMIC ACID, ...
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-30
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT2
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BU of 7at2 by Molmil
Crystal structure of inactive EstD11 S144A
分子名称: EstD11 S144A
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-28
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
6BWP
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BU of 6bwp by Molmil
Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3
分子名称: 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Musayev, F.N, Safo, R.M, Safo, M.K.
登録日2017-12-15
公開日2018-01-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
6BWU
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BU of 6bwu by Molmil
Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3
分子名称: 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Musayev, F.N, Safo, R.M, Safo, M.K.
登録日2017-12-15
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
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
6XWZ
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BU of 6xwz by Molmil
Carbonic Anhydrase II-mediated hydrolysis of selenolester
分子名称: GLYCEROL, ZINC ION, benzeneselenol, ...
著者Angeli, A, Feraroni, M.
登録日2020-01-24
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Selenolesterase enzyme activity of carbonic anhydrases
Chem.Commun.(Camb.), 2020
8PW2
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BU of 8pw2 by Molmil
Protein p6 from bacteriophage phi29, C-terminal delta31 truncated version
分子名称: Histone-like protein p6
著者Alcorlo Pages, M, Hermoso Dominguez, J.
登録日2023-07-19
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage phi 29.
Nucleic Acids Res., 52, 2024
8PW4
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BU of 8pw4 by Molmil
Protein p6 from bacteriophage phi29, C-terminal delta20 truncated version
分子名称: Histone-like protein p6
著者Alcorlo Pages, M, Hermoso Dominguez, J.
登録日2023-07-19
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage phi 29.
Nucleic Acids Res., 52, 2024
7NB5
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BU of 7nb5 by Molmil
Structure of EstD11 S144A in complex with naproxen p-nitrophenol ester
分子名称: (4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate, EstD11 S144A
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2021-01-25
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
6QUN
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BU of 6qun by Molmil
Crystal structure of AtGapC1 with the catalytic Cys149 irreversibly oxidized by H2O2 treatment
分子名称: Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Trost, P.
登録日2019-02-28
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QUQ
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BU of 6quq by Molmil
Crystal structure of glutathionylated glycolytic glyceraldehyde-3- phosphate dehydrogenase from Arabidopsis thaliana (AtGAPC1)
分子名称: GLUTATHIONE, Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Trost, P.
登録日2019-02-28
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LBH
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BU of 5lbh by Molmil
Crystal structure of Helicobacter cinaedi CAIP
分子名称: CAIP, FE (III) ION
著者Zanotti, G, Valesse, F, Codolo, G, De Bernard, M.
登録日2016-06-16
公開日2017-04-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献The Helicobacter cinaedi antigen CAIP participates in atherosclerotic inflammation by promoting the differentiation of macrophages in foam cells.
Sci Rep, 7, 2017
7QVQ
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BU of 7qvq by Molmil
Human telomeric DNA G-quadruplex of a gold(III) complex containing the 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine ligand
分子名称: 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex, POTASSIUM ION, human telomeric DNA
著者Bazzicalupi, C, Ryde, U, Gratteri, P, Bergmann, J.
登録日2022-01-23
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
7RNY
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BU of 7rny by Molmil
Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative
分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7RNZ
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BU of 7rnz by Molmil
Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
1C82
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BU of 1c82 by Molmil
MECHANISM OF HYALURONAN BINDING AND DEGRADATION: STRUCTURE OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE IN COMPLEX WITH HYALURONIC ACID DISACCHARIDE AT 1.7 A RESOLUTION
分子名称: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, HYALURONATE LYASE, ...
著者Ponnuraj, K, Jedrzejas, M.J.
登録日2000-04-05
公開日2001-04-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of hyaluronan binding and degradation: structure of Streptococcus pneumoniae hyaluronate lyase in complex with hyaluronic acid disaccharide at 1.7 A resolution.
J.Mol.Biol., 299, 2000
2XWY
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BU of 2xwy by Molmil
Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase
分子名称: (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Baiocco, P.
登録日2010-11-06
公開日2010-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
J.Med.Chem., 54, 2011
2O4G
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BU of 2o4g by Molmil
Structure of TREX1 in complex with a nucleotide
分子名称: MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, Three prime repair exonuclease 1
著者Brucet, M, Macias, M.J, Fita, I, Celada, A.
登録日2006-12-04
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the dimeric exonuclease TREX1 in complex with DNA displays a proline-rich binding site for WW Domains.
J.Biol.Chem., 282, 2007
2O4I
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BU of 2o4i by Molmil
Structure of TREX1 in complex with DNA
分子名称: 5'-D(*GP*CP*TP*AP*GP*GP*CP*AP*GP*GP*AP*AP*CP*CP*CP*CP*TP*CP*CP*TP*CP*CP*CP*CP*T)-3', Three prime repair exonuclease 1
著者Brucet, M, Macias, M.J, Fita, I, Celada, A.
登録日2006-12-04
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the dimeric exonuclease TREX1 in complex with DNA displays a proline-rich binding site for WW Domains.
J.Biol.Chem., 282, 2007
2KAA
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BU of 2kaa by Molmil
Solution Structure of Hirsutellin A from Hirsutella thompsonii
分子名称: Hirsutellin A
著者Viegas, A, Macedo, A.L, Bruix, M.
登録日2008-11-04
公開日2009-11-03
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Solution structure of hirsutellin A--new insights into the active site and interacting interfaces of ribotoxins.
Febs J., 276, 2009

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