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8OLK
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BU of 8olk by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_13
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ...
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
8OLI
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BU of 8oli by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_12
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
8OLF
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BU of 8olf by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982
分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
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
8OLA
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BU of 8ola by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK4
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKT
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BU of 8okt by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK42
分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKQ
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BU of 8okq by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
8OKP
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BU of 8okp by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_33
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKO
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BU of 8oko by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_2
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-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2024-04-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKJ
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BU of 8okj by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-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2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKG
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BU of 8okg by Molmil
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
8OKE
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BU of 8oke by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OGF
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BU of 8ogf by Molmil
Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
分子名称: 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2023-03-20
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.321 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
To Be Published
8OGE
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BU of 8oge by Molmil
Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8OGD
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BU of 8ogd by Molmil
Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8JIF
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BU of 8jif by Molmil
Cryo-EM Structure of 3-axis block of AAV9P31-Car4 complex
分子名称: Capsid protein VP1, Carbonic anhydrase 4, ZINC ION
著者Zhang, R, Liu, Y, Lou, Z.
登録日2023-05-26
公開日2024-01-31
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Structural basis of the recognition of adeno-associated virus by the neurological system-related receptor carbonic anhydrase IV.
Plos Pathog., 20, 2024
8JEE
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BU of 8jee by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with Levosulpiride at 2.96 A Resolution
分子名称: Carbonic anhydrase 2, GLYCEROL, Levosulpiride, ...
著者Rasheed, S, Huda, N, Falke, S, Fisher, S.Z, Ahmad, M.S.
登録日2023-05-15
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal Structure of Human Carbonic Anhydrase II In-complex with Levosulpiride at 2.96 A Resolution
To Be Published
8J2O
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BU of 8j2o by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with Acetohexamide at 2.6 A Resolution
分子名称: 1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea, Carbonic anhydrase 2, SULFATE ION, ...
著者Rasheed, S, Huda, N, Choudhary, M.I.
登録日2023-04-14
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Human Carbonic Anhydrase II In-complex with Acetohexamide at 2.6 A Resolution
To Be Published
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
8FR4
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BU of 8fr4 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.123 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR2
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BU of 8fr2 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR1
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BU of 8fr1 by Molmil
Carbonic Anhydrase IX in complex with the alkyl urea compound 3g
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQZ
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BU of 8fqz by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQY
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BU of 8fqy by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQX
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BU of 8fqx by Molmil
Carbonic Anhydrase II in complex with the alkyl ureas 3g
分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FAU
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BU of 8fau by Molmil
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione
分子名称: 4-phenyl-1,3-thiazole-2(3H)-thione, Carbonic anhydrase 2, SULFATE ION, ...
著者Kohlbrand, A.J, Seo, H.
登録日2022-11-28
公開日2023-03-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023

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件を2024-06-12に公開中

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