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6YZL
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BU of 6yzl by Molmil
Closo-carborane methyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane methyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZP
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BU of 6yzp by Molmil
Carborane nido-hexyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane nido-hexyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZV
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BU of 6yzv by Molmil
Closo-carborane ethyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane ethyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
7OYO
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BU of 7oyo by Molmil
Carbonic anhydrase II in complex with Hit4 (MH70)
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2021-06-24
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.03 Å)
Cite: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)
Descriptor: Carbonic anhydrase 2, Hit3-t4 (MH181), ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2021-06-24
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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)
Descriptor: Carbonic anhydrase 2, Hit2 (MH65), ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2021-06-24
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.98 Å)
Cite: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)
Descriptor: Carbonic anhydrase 2, Hit3-t2 (MH174), ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2021-06-24
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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)
Descriptor: (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2021-06-24
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
7OYN
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BU of 7oyn by Molmil
Carbonic anhydrase II in complex with Hit3 (MH57)
Descriptor: Carbonic anhydrase 2, Hit3 (MH57), ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2021-06-24
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.98 Å)
Cite: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
6YZJ
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BU of 6yzj by Molmil
Closo-carborane ethyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane ethyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZO
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BU of 6yzo by Molmil
Carborane closo-hexyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZW
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BU of 6yzw by Molmil
Carborane closo-hexyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZU
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BU of 6yzu by Molmil
Carborane nido-pentyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane nido-pentyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZM
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BU of 6yzm by Molmil
Carborane nido-pentyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane nido-pentyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZQ
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BU of 6yzq by Molmil
Carborane closo-butyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZX
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BU of 6yzx by Molmil
Carborane nido-hexyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane nido-hexyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZN
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BU of 6yzn by Molmil
Closo-carborane butyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZT
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BU of 6yzt by Molmil
Closo-carborane propyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane propyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6Z04
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BU of 6z04 by Molmil
Nido-carborane butyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZS
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BU of 6yzs by Molmil
Carborane closo-pentyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, SODIUM ION, ...
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZK
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BU of 6yzk by Molmil
Carborane closo-pentyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZR
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BU of 6yzr by Molmil
Carborane nido-butyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6RZX
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BU of 6rzx by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA
Descriptor: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
6TRJ
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BU of 6trj by Molmil
LEDGF/p75 IBD dimer
Descriptor: PC4 and SFRS1-interacting protein
Authors:Kugler, M, Brynda, J.
Deposit date:2019-12-19
Release date:2020-09-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fine-tuning of the LEDGF/p75 interaction network by dimerization
Structure
6S03
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BU of 6s03 by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
Descriptor: 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite: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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PDB entries from 2024-03-27

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