6YKH
 
 | | 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
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6YOL
 | | 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
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6YOI
 | | 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
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6YO7
 | | 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
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6YO2
 | | 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
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5OPL
 | | Crystal structure of K25E cN-II mutant | | 分子名称: | Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION | | 著者 | Kugler, M, Hnizda, A, Pachl, P, Rezacova, P. | | 登録日 | 2017-08-10 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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6YKC
 | | 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
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6YO4
 | | 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
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6YOK
 | | 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
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6T7U
 | | 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
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6T9Z
 | | 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
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8AA6
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8BBS
 | | 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
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7ZES
 | | 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 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
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7ZEL
 | | 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 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
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7ZEP
 | | 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 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
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5OGN
 | | 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
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5OGP
 | | 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
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6YJ3
 | | 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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6GXE
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14 | | 分子名称: | 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Brynda, J, Rezacova, P, Pospisilova, K. | | 登録日 | 2018-06-27 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 2019
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6TVM
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8AAE
 | | CAII in complex with para-carboran-propylsulfonamid | | 分子名称: | Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION | | 著者 | Brynda, J, Rezacova, P. | | 登録日 | 2022-07-01 | | 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
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5OPM
 | | Crystal structure of D52N/R238W cN-II mutant bound to dATP and free phosphate | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | 著者 | Hnizda, A, Pachl, P, Rezacova, P. | | 登録日 | 2017-08-10 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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5OPK
 | | Crystal structure of D52N/R367Q cN-II mutant bound to dATP and free phosphate | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | 著者 | Hnizda, A, Pachl, P, Rezacova, P. | | 登録日 | 2017-08-10 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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5OPP
 | | Crystal structure of S408R cN-II mutant | | 分子名称: | BROMIDE ION, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | 著者 | Hnizda, A, Pachl, P, Rezacova, P. | | 登録日 | 2017-08-10 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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