7ORQ
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7OYP
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![BU of 7oyp by Molmil](/molmil-images/mine/7oyp) | 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
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7OYN
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![BU of 7oyn by Molmil](/molmil-images/mine/7oyn) | 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
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7OYR
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![BU of 7oyr by Molmil](/molmil-images/mine/7oyr) | 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
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7OYQ
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![BU of 7oyq by Molmil](/molmil-images/mine/7oyq) | 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
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7OYM
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![BU of 7oym by Molmil](/molmil-images/mine/7oym) | 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
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7OYO
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![BU of 7oyo by Molmil](/molmil-images/mine/7oyo) | 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
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7ONM
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![BU of 7onm by Molmil](/molmil-images/mine/7onm) | Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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7ONQ
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![BU of 7onq by Molmil](/molmil-images/mine/7onq) | Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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7ONV
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![BU of 7onv by Molmil](/molmil-images/mine/7onv) | Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-26 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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2WD3
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![BU of 2wd3 by Molmil](/molmil-images/mine/2wd3) | 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
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2WEJ
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![BU of 2wej by Molmil](/molmil-images/mine/2wej) | 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
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2VVA
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![BU of 2vva by Molmil](/molmil-images/mine/2vva) | 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
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2WEG
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![BU of 2weg by Molmil](/molmil-images/mine/2weg) | 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
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2WD2
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![BU of 2wd2 by Molmil](/molmil-images/mine/2wd2) | 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
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2WEH
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![BU of 2weh by Molmil](/molmil-images/mine/2weh) | 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
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2WEO
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![BU of 2weo by Molmil](/molmil-images/mine/2weo) | 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
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2W2J
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![BU of 2w2j by Molmil](/molmil-images/mine/2w2j) | 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
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2X7T
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![BU of 2x7t by Molmil](/molmil-images/mine/2x7t) | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2010-03-03 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010
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2X7U
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![BU of 2x7u by Molmil](/molmil-images/mine/2x7u) | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2010-03-03 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010
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2X7S
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![BU of 2x7s by Molmil](/molmil-images/mine/2x7s) | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2010-03-03 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors. Biochemistry, 49, 2010
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2VVB
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![BU of 2vvb by Molmil](/molmil-images/mine/2vvb) | 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
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6QFU
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![BU of 6qfu by Molmil](/molmil-images/mine/6qfu) | Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Rebelein, J.G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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6QFX
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![BU of 6qfx by Molmil](/molmil-images/mine/6qfx) | Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Rebelein, J.G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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6QL1
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![BU of 6ql1 by Molmil](/molmil-images/mine/6ql1) | Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-01-31 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
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