6RZX
| Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | 分子名称: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Kugler, M, Brynda, J, Rezacova, P. | 登録日 | 2019-06-13 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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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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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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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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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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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 | 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 | 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 | 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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8AA6
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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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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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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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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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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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6TVM
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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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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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5OPN
| Crystal structure of R39Q cN-II mutant | 分子名称: | 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 (1.77 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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5OPO
| Crystal structure of R238G cN-II mutant | 分子名称: | Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION | 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 (2 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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