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PDB: 44 件
6YZL
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BU of 6yzl by Molmil
Closo-carborane methyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Carborane methyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-05-07
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YKH
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BU of 6ykh by Molmil
Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-06
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
6YKC
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BU of 6ykc by Molmil
Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic
分子名称: CA IX mimic, Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ...
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-06
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
6YOL
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BU of 6yol by Molmil
Meta-Nidocarborane propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Meta-Nidocarborane propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YOI
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BU of 6yoi by Molmil
Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Meta-Carborane di-propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YO7
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BU of 6yo7 by Molmil
Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YO2
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BU of 6yo2 by Molmil
Meta-Carborane propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YO4
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BU of 6yo4 by Molmil
Para-Carborane propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YOK
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BU of 6yok by Molmil
Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
7ZES
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BU of 7zes by Molmil
Human SLFN11 dimer bound to ssDNA
分子名称: DNA (5'-D(P*CP*GP*CP*GP*T)-3'), MAGNESIUM ION, Schlafen family member 11, ...
著者Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K.
登録日2022-03-31
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
7ZEL
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BU of 7zel by Molmil
Human SLFN11 dimer apoenzyme
分子名称: MAGNESIUM ION, Schlafen family member 11, ZINC ION
著者Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K.
登録日2022-03-31
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
7ZEP
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BU of 7zep by Molmil
Human SLFN11 E209A dimer
分子名称: Schlafen family member 11, ZINC ION
著者Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K.
登録日2022-03-31
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
8BBS
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BU of 8bbs by Molmil
Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor
分子名称: (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P.
登録日2022-10-14
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis.
Rsc Med Chem, 14, 2023
8AA6
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BU of 8aa6 by Molmil
CAII in complex with meta-carboran-propylsulfonamid
分子名称: Carbonic anhydrase 2, ZINC ION, meta-carboran-propylsulfonamid
著者Brynda, J, Rezacova, P, Kugler, M.
登録日2022-06-30
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.
Phys Chem Chem Phys, 25, 2023
5OGP
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BU of 5ogp by Molmil
Metalacarborane inhibitors of Carbonic Anhydrase IX
分子名称: Carbonic anhydrase 2, ZINC ION, cobaltcarborane
著者Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
5OGN
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BU of 5ogn by Molmil
Metalacarborane inhibitors of Carbonic Anhydrase IX
分子名称: Carbonic anhydrase 2, ZINC ION, cobaltcarborane
著者Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
6T7U
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BU of 6t7u by Molmil
Carborane inhibitor of Carbonic Anhydrase IX
分子名称: Carbonic anhydrase 2, Carborane inhibitor, ZINC ION
著者Brynda, J, Rezacova, P, Kugler, M, Gruner, B.
登録日2019-10-23
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Eur.J.Med.Chem., 200, 2020
6T9Z
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BU of 6t9z by Molmil
Nidocarborane inhibitor of Carbonic Anhydrase IX
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, Nidocarborane, ...
著者Brynda, J, Rezacova, P, Kugler, M, Gruner, B.
登録日2019-10-29
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Eur.J.Med.Chem., 200, 2020
6YJ3
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BU of 6yj3 by Molmil
Metala-Carborane di-propyl-sulfonamide
分子名称: Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION
著者Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M.
登録日2020-04-02
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
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