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6SDS
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BU of 6sds by Molmil
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2019-07-29
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 63, 2020
6SWM
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BU of 6swm by Molmil
selenol bound carbonic anhydrase I
Descriptor: (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, Carbonic anhydrase 1, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-09-22
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Selenols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 55, 2019
6EVR
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BU of 6evr by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 4-(4 acetyl-3-benzylpiperazine-1 carbonyl)benzene-1-sulfonamide inhibitor
Descriptor: 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Ferraroni, M, Supuran, C.T, Chiapponi, D, Chiaramonte, N.
Deposit date:2017-11-02
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents.
Eur J Med Chem, 151, 2018
6EX1
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BU of 6ex1 by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 4-[(3S)-3 benzyl-4-(4-sulfamoylbenzoyl)piperazine -1-carbonyl]benzene-1-sulfonamide inhibitor
Descriptor: 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Ferraroni, M, Supuran, C.T, Chiapponi, D, Chiaramonte, N.
Deposit date:2017-11-07
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents.
Eur J Med Chem, 151, 2018
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