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PDB: 156 件

7QNV
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human carbonic anhydrase II bound to 3-methylbenzoselenoate
分子名称: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-12-22
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.278 Å)
主引用文献Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
7QOB
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Human Carbonic Anhydrase I in complex with benzoselenoate
分子名称: Carbonic anhydrase 1, ZINC ION, benzoselenoate
著者Angeli, A, Ferraroni, M.
登録日2021-12-23
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
6SYB
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Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
分子名称: (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2019-09-27
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
6SYS
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Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
分子名称: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ...
著者Angeli, A, Ferraroni, M.
登録日2019-10-01
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
7ZL5
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Azosemide in complex with Carbonic Anhydrase I
分子名称: Azosemide, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ...
著者Angeli, A, Ferraroni, M.
登録日2022-04-14
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.479 Å)
主引用文献Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
3HHX
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BU of 3hhx by Molmil
Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, BENZENE-1,2,3-TRIOL, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Briganti, F.
登録日2009-05-18
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3HHY
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Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with catechol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CATECHOL, CHLORIDE ION, ...
著者Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A.
登録日2009-05-18
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3HJQ
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BU of 3hjq by Molmil
Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with 3-methylcatechol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3-METHYLCATECHOL, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A.
登録日2009-05-22
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3HJS
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BU of 3hjs by Molmil
Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with 4-methylcatechol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4-METHYLCATECHOL, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A.
登録日2009-05-22
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3HKP
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BU of 3hkp by Molmil
Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,4-DIHYDROXYBENZOIC ACID, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A.
登録日2009-05-25
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3I4V
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BU of 3i4v by Molmil
Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 3-chlorocatechol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3-chlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A.
登録日2009-07-03
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3I51
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BU of 3i51 by Molmil
Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 4,5-dichlorocatechol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A.
登録日2009-07-03
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3I4Y
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BU of 3i4y by Molmil
Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A.
登録日2009-07-03
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
7ZL6
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BU of 7zl6 by Molmil
Azosemide in complex with human Carbonic anhydrase II (hCA II)
分子名称: Azosemide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2022-04-14
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.383 Å)
主引用文献Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
7PRI
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BU of 7pri by Molmil
Carbonic Anhydrase from Schistosoma Mansoni in complex with clorsulon
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2021-09-21
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies.
Acta Crystallogr D Struct Biol, 78, 2022
7YZH
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BU of 7yzh by Molmil
Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-20
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
6HWZ
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Selenols: a new class of Carbonic Anhydrase inhibitors
分子名称: Carbonic anhydrase 1, ZINC ION, benzeneselenol
著者Angeli, A, Ferraroni, M.
登録日2018-10-15
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
7PLF
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BU of 7plf by Molmil
Human Carbonic Anhydrase I in complex with clorsulon
分子名称: 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase 1, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2021-08-31
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies.
Acta Crystallogr D Struct Biol, 78, 2022
3HJ8
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BU of 3hj8 by Molmil
Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 4-chlorocatechol
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4-CHLOROBENZENE-1,2-DIOL, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A.
登録日2009-05-21
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts
J.Struct.Biol., 170, 2010
7QBH
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BU of 7qbh by Molmil
Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II)
分子名称: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
著者Angeli, A, Ferraroni, M.
登録日2021-11-19
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.223 Å)
主引用文献Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition.
Chemmedchem, 17, 2022
7QRK
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BU of 7qrk by Molmil
Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
分子名称: Carbonic anhydrase 2, GLYCEROL, N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide, ...
著者Angeli, A, Ferraroni, M.
登録日2022-01-11
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
To Be Published
7QSE
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BU of 7qse by Molmil
human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Angeli, A, Ferraroni, M.
登録日2022-01-13
公開日2023-01-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
To Be Published
7QZX
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BU of 7qzx by Molmil
Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
分子名称: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-01
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7R1X
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BU of 7r1x by Molmil
human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
分子名称: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7YWT
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human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
分子名称: (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-14
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.106 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022

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件を2024-05-29に公開中

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