6XZE
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![BU of 6xze by Molmil](/molmil-images/mine/6xze) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-04 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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7V3L
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![BU of 7v3l by Molmil](/molmil-images/mine/7v3l) | MERS S ectodomain trimer in complex with neutralizing antibody 6516 | Descriptor: | Spike glycoprotein, antibody H, antibody L | Authors: | Wang, X, Zhao, J, Wang, Z, Wang, Y, Zeng, J. | Deposit date: | 2021-08-10 | Release date: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | MERS S ectodomain trimer in complex with neutralizing antibody 6516 to be published
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6R6Y
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![BU of 6r6y by Molmil](/molmil-images/mine/6r6y) | Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-03-28 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
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5O00
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![BU of 5o00 by Molmil](/molmil-images/mine/5o00) | |
6QE4
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![BU of 6qe4 by Molmil](/molmil-images/mine/6qe4) | Re-refinement of 5OLI human IBA57-I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial | Authors: | Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V. | Deposit date: | 2019-01-04 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity. Acta Crystallogr D Struct Biol, 75, 2019
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4JWL
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![BU of 4jwl by Molmil](/molmil-images/mine/4jwl) | |
4FI7
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![BU of 4fi7 by Molmil](/molmil-images/mine/4fi7) | Kinetic Stabilization of transthyretin through covalent modification of K15 by 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide | Descriptor: | 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin | Authors: | Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W. | Deposit date: | 2012-06-08 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate. J.Am.Chem.Soc., 135, 2013
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1A6N
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![BU of 1a6n by Molmil](/molmil-images/mine/1a6n) | DEOXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-26 | Release date: | 1999-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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1I97
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![BU of 1i97 by Molmil](/molmil-images/mine/1i97) | CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH TETRACYCLINE | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | Deposit date: | 2001-03-18 | Release date: | 2001-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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1I96
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![BU of 1i96 by Molmil](/molmil-images/mine/1i96) | CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH THE TRANSLATION INITIATION FACTOR IF3 (C-TERMINAL DOMAIN) | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | Deposit date: | 2001-03-18 | Release date: | 2001-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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1I95
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![BU of 1i95 by Molmil](/molmil-images/mine/1i95) | CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH EDEINE | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | Deposit date: | 2001-03-18 | Release date: | 2001-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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8BRW
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![BU of 8brw by Molmil](/molmil-images/mine/8brw) | Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C | Descriptor: | Methionine--tRNA ligase, ZINC ION | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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4FI6
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![BU of 4fi6 by Molmil](/molmil-images/mine/4fi6) | Kinetic Stabilization of transthyretin through covalent modification of K15 by 3-(5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide | Descriptor: | 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin | Authors: | Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W. | Deposit date: | 2012-06-08 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate. J.Am.Chem.Soc., 135, 2013
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6R6F
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![BU of 6r6f by Molmil](/molmil-images/mine/6r6f) | Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | Descriptor: | 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-03-27 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
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6XZS
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![BU of 6xzs by Molmil](/molmil-images/mine/6xzs) | Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6XZY
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![BU of 6xzy by Molmil](/molmil-images/mine/6xzy) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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8BRX
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![BU of 8brx by Molmil](/molmil-images/mine/8brx) | Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine | Descriptor: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ... | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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8BRV
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![BU of 8brv by Molmil](/molmil-images/mine/8brv) | Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C complexed with beta3-methionine. | Descriptor: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ... | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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8BRU
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![BU of 8bru by Molmil](/molmil-images/mine/8bru) | Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C | Descriptor: | CITRIC ACID, Methionine--tRNA ligase, ZINC ION | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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4FI8
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![BU of 4fi8 by Molmil](/molmil-images/mine/4fi8) | Kinetic Stabilization of transthyretin through covalent modification of K15 by 4-bromo-3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide | Descriptor: | 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin | Authors: | Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W. | Deposit date: | 2012-06-08 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate. J.Am.Chem.Soc., 135, 2013
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1I94
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![BU of 1i94 by Molmil](/molmil-images/mine/1i94) | CRYSTAL STRUCTURES OF THE SMALL RIBOSOMAL SUBUNIT WITH TETRACYCLINE, EDEINE AND IF3 | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | Deposit date: | 2001-03-18 | Release date: | 2001-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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1KE5
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![BU of 1ke5 by Molmil](/molmil-images/mine/1ke5) | CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide | Descriptor: | Cell division protein kinase 2, N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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1KE8
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![BU of 1ke8 by Molmil](/molmil-images/mine/1ke8) | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | Descriptor: | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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6F4F
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![BU of 6f4f by Molmil](/molmil-images/mine/6f4f) | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with glutathionyl-S-dinitrobenzene | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLUTATHIONE S-(2,4 DINITROBENZENE), ... | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2017-11-29 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
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6EVR
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![BU of 6evr by Molmil](/molmil-images/mine/6evr) | 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
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