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PDB: 1334 件
8DR2
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BU of 8dr2 by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
分子名称: 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DRB
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BU of 8drb by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
分子名称: 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
6KM4
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BU of 6km4 by Molmil
Human Carbonic Anhydrase II native 07 atm CO2
分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Kim, C.U, Kim, J.K.
登録日2019-07-30
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
8DPC
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BU of 8dpc by Molmil
Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae
分子名称: Carbonic anhydrase, SULFATE ION, ZINC ION
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-15
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
6KM3
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BU of 6km3 by Molmil
Human Carbonic Anhydrase II native 00 atm CO2
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Kim, J.K.
登録日2019-07-30
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
6KLZ
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BU of 6klz by Molmil
Human Carbonic Anhydrase II V143I variant 00 atm CO2
分子名称: BICARBONATE ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Kim, C.U, Kim, J.K.
登録日2019-07-30
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
6KM5
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BU of 6km5 by Molmil
Human Carbonic Anhydrase II native 13 atm CO2
分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Kim, C.U, Kim, J.K.
登録日2019-07-30
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
6KM0
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BU of 6km0 by Molmil
Human Carbonic Anhydrase II V143I variant 07 atm CO2
分子名称: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ...
著者Kim, C.U, Kim, J.K.
登録日2019-07-30
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
8DPO
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BU of 8dpo by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-15
公開日2023-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
To Be Published
5DSL
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BU of 5dsl by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 10 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSK
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BU of 5dsk by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSQ
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BU of 5dsq by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DVX
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BU of 5dvx by Molmil
Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Carbonic anhydrase 9, ...
著者Mahon, B.P, Socorro, L, Driscoll, J.M, McKenna, R.
登録日2015-09-21
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献The Structure of Carbonic Anhydrase IX Is Adapted for Low-pH Catalysis.
Biochemistry, 55, 2016
5DOG
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BU of 5dog by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2015-09-11
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
5DSM
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BU of 5dsm by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSR
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BU of 5dsr by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8SD7
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BU of 8sd7 by Molmil
Carbonic anhydrase II radiation damage RT 61-90
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD1
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BU of 8sd1 by Molmil
Carbonic anhydrase II radiation damage RT 1-30
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.C, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SAG
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BU of 8sag by Molmil
Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57
分子名称: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.E, Mckenna, R.
登録日2023-03-31
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides
To Be Published
8SAF
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BU of 8saf by Molmil
CA II in complex with the coumarin benzene sulfonamide SG1-51
分子名称: 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-03-31
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献CA in complex with novel coumarin benzene sulfonamides
To Be Published
8SF1
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BU of 8sf1 by Molmil
Carbonic anhydrase II XFEL radiation damage RT
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-10
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
6ZR8
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BU of 6zr8 by Molmil
The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
分子名称: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
著者Di Fiore, A, De Simone, G, D'Ambrosio, K.
登録日2020-07-11
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021

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件を2024-07-10に公開中

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