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8OKG
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Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_13
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
3JXF
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BU of 3jxf by Molmil
CA-like domain of human PTPRZ
分子名称: Receptor-type tyrosine-protein phosphatase zeta
著者Bouyain, S.
登録日2009-09-19
公開日2009-12-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KOK
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BU of 3kok by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 8.5
分子名称: COBALT (II) ION, Carbonic anhydrase 2
著者Avvaru, B.S.
登録日2009-11-13
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
7ORP
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BU of 7orp by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
分子名称: 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7ORQ
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BU of 7orq by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
分子名称: 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
3JXG
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BU of 3jxg by Molmil
CA-like domain of mouse PTPRG
分子名称: Receptor-type tyrosine-protein phosphatase gamma
著者Bouyain, S.
登録日2009-09-19
公開日2009-12-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HKQ
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BU of 3hkq by Molmil
Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide
分子名称: (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ...
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKU
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BU of 3hku by Molmil
Human carbonic anhydrase II in complex with topiramate
分子名称: Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKT
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BU of 3hkt by Molmil
Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide
分子名称: Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HLJ
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BU of 3hlj by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
分子名称: 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide, Carbonic anhydrase 2, SODIUM ION, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2009-05-27
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides
J Enzyme Inhib Med Chem, 25, 2010
3HS4
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BU of 3hs4 by Molmil
Human carbonic anhydrase II complexed with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Robbins, A.H, Genis, C, Domsic, J, Sippel, K.H, Agbandje-McKenna, M, McKenna, R.
登録日2009-06-10
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design.
Acta Crystallogr.,Sect.F, 65, 2009
8IGF
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BU of 8igf by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
分子名称: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
登録日2023-02-20
公開日2024-02-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
7OYN
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BU of 7oyn by Molmil
Carbonic anhydrase II in complex with Hit3 (MH57)
分子名称: Carbonic anhydrase 2, Hit3 (MH57), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYP
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BU of 7oyp by Molmil
Carbonic anhydrase II in complex with Hit3-t1 (MH172)
分子名称: (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYR
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BU of 7oyr by Molmil
Carbonic anhydrase II in complex with Hit3-t4 (MH181)
分子名称: Carbonic anhydrase 2, Hit3-t4 (MH181), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYQ
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BU of 7oyq by Molmil
Carbonic anhydrase II in complex with Hit3-t2 (MH174)
分子名称: Carbonic anhydrase 2, Hit3-t2 (MH174), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYM
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BU of 7oym by Molmil
Carbonic anhydrase II in complex with Hit2 (MH65)
分子名称: Carbonic anhydrase 2, Hit2 (MH65), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYO
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BU of 7oyo by Molmil
Carbonic anhydrase II in complex with Hit4 (MH70)
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7ONM
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Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONQ
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Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONV
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BU of 7onv by Molmil
Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-26
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
8OTP
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BU of 8otp by Molmil
Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
分子名称: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2023-04-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
To Be Published
8OUB
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BU of 8oub by Molmil
The crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-sulfamoylbenzyl)carbamoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
分子名称: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2023-04-22
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.178 Å)
主引用文献The crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-sulfamoylbenzyl)carbamoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
To Be Published
8PHL
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BU of 8phl by Molmil
Human carbonic anhydrase II containing 4-fluorophenylalanine
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-06-20
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8P6U
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BU of 8p6u by Molmil
Human carbonic anhydrase II containing 5-fluorotryptophanes
分子名称: BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-05-30
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024

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件を2024-07-17に公開中

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