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5Y2S
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BU of 5y2s by Molmil
7.0 atm CO2-pressurized human carbonic anhydrase II
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y.
Deposit date:2017-07-27
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
5YUK
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BU of 5yuk by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8EM3
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BU of 8em3 by Molmil
Carbonic Anhydrase II in complex with the diaryl urea molecule J2
Descriptor: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J, McKenna, R.
Deposit date:2022-09-26
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX.
To Be Published
5YUI
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BU of 5yui by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8FQX
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BU of 8fqx by Molmil
Carbonic Anhydrase II in complex with the alkyl ureas 3g
Descriptor: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQZ
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BU of 8fqz by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3j
Descriptor: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Combs, J.C, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR1
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BU of 8fr1 by Molmil
Carbonic Anhydrase IX in complex with the alkyl urea compound 3g
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
Authors:Combs, J.C, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQY
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BU of 8fqy by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3h
Descriptor: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.C, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR2
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BU of 8fr2 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h
Descriptor: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.C, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR4
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BU of 8fr4 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j
Descriptor: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.123 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FAL
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BU of 8fal by Molmil
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione
Descriptor: 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Kohlbrand, A.J, Seo, H.
Deposit date:2022-11-28
Release date:2023-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
8FAU
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BU of 8fau by Molmil
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione
Descriptor: 4-phenyl-1,3-thiazole-2(3H)-thione, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Kohlbrand, A.J, Seo, H.
Deposit date:2022-11-28
Release date:2023-03-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
5ZXW
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BU of 5zxw by Molmil
Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T.
Deposit date:2018-05-22
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.316 Å)
Cite:Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
2VVA
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BU of 2vva by Molmil
Human carbonic anhydrase in complex with CO2
Descriptor: CARBON DIOXIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Sjoeblom, B, Polentarutti, M, Djinovic-Carugo, K.
Deposit date:2008-06-04
Release date:2009-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Study of X-Ray Induced Activation of Carbonic Anhydrase.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WEG
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BU of 2weg by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Descriptor: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
Deposit date:2009-03-31
Release date:2009-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
5YUJ
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BU of 5yuj by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
2WD2
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BU of 2wd2 by Molmil
A chimeric microtubule disruptor with efficacy on a taxane resistant cell line
Descriptor: 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
Authors:Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L.
Deposit date:2009-03-19
Release date:2010-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Chimeric Microtubule Disruptors.
Chem.Commun.(Camb.), 46, 2010
5Y2R
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BU of 5y2r by Molmil
2.5 atm CO2-pressurized human carbonic anhydrase II
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y.
Deposit date:2017-07-27
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
2W2J
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BU of 2w2j by Molmil
Crystal structure of the human carbonic anhydrase related protein VIII
Descriptor: CARBONIC ANHYDRASE-RELATED PROTEIN, CHLORIDE ION, GLYCEROL, ...
Authors:Kramm, A, Muniz, J.R.C, Picaud, S.S, von Delft, F, Pilka, E.S, Yue, W.W, King, O.N.F, Kochan, G, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2008-10-31
Release date:2009-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Human Carbonic Anhydrase-Related Protein Viii Reveals the Basis for Catalytic Silencing.
Proteins, 76, 2009
2WD3
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BU of 2wd3 by Molmil
Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors based on a Biphenyl Template
Descriptor: 3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Woo, L.W.L, Jackson, T, Putey, A, Cozier, G, Leonard, P, Acharya, K.R, Chander, S.K, Purohit, A, Reed, M.J, Potter, B.V.L.
Deposit date:2009-03-19
Release date:2010-02-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors Based on a Biphenyl Template.
J.Med.Chem., 53, 2010
2VVB
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BU of 2vvb by Molmil
Human carbonic anhydrase II in complex with bicarbonate
Descriptor: BICARBONATE ION, CARBON DIOXIDE, CARBONIC ANHYDRASE 2, ...
Authors:Sjoeblom, B, Polentarutti, M, Djinovic-Carugo, K.
Deposit date:2008-06-04
Release date:2009-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural Study of X-Ray Induced Activation of Carbonic Anhydrase.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WEO
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BU of 2weo by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Descriptor: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
Deposit date:2009-04-01
Release date:2009-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEJ
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BU of 2wej by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Descriptor: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ...
Authors:Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
Deposit date:2009-03-31
Release date:2009-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEH
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BU of 2weh by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Descriptor: 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
Deposit date:2009-03-31
Release date:2009-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
6BBS
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BU of 6bbs by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide
Descriptor: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Kovalevsky, A, Aggarwal, M, McKenna, R.
Deposit date:2017-10-19
Release date:2018-02-28
Last modified:2024-03-13
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018

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