6YH7
 
 | | Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6YH5
 | | Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | | Descriptor: | 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6YHA
 | | Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6YH9
 | | Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6YH4
 | | Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6YHC
 | | Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6G5U
 | | Crystal structure of human carbonic anhydrase isozyme XIII with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Carbonic anhydrase 13, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-03-30 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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6G6T
 | | Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | | Descriptor: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-04-03 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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4Q9Y
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8OWO
 | | SMYD3 in complex with fragment FL01507 | | Descriptor: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-30 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening.
Rsc Med Chem, 15, 2024
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6G7A
 | | Crystal structure of human carbonic anhydrase isozyme XII 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-04-05 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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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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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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2RAZ
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7H37
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z45527714 (A71EV2A-x0332) | | Descriptor: | 2-chloro-N-methylbenzene-1-sulfonamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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8F35
 | | Apo ELIC in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG | | Descriptor: | Erwinia chrysanthemi ligand-gated ion channel | | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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8F34
 | | ELIC with Propylamine in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG | | Descriptor: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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8F33
 | | ELIC with Propylamine in saposin nanodiscs with 2:1:1 POPC:POPE:POPG | | Descriptor: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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8F32
 | | ELIC with Propylamine in SMA nanodiscs with 2:1:1 POPC:POPE:POPG | | Descriptor: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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4C7B
 | | Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys peptide | | Descriptor: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-09-20 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
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8FY5
 | | Human TMEM175-LAMP1 full-length complex | | Descriptor: | Endosomal/lysosomal potassium channel TMEM175, Lysosome-associated membrane glycoprotein 1 | | Authors: | Zhang, J.Y, Zeng, W.Z, Han, Y, Jiang, Y.X. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Lysosomal LAMP proteins regulate lysosomal pH by direct inhibition of the TMEM175 channel.
Mol.Cell, 83, 2023
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8FYF
 | | Human TMEM175-LAMP1 transmembrane domain only complex | | Descriptor: | Endosomal/lysosomal potassium channel TMEM175, Lysosome-associated membrane glycoprotein 1 | | Authors: | Zhang, J.Y, Zeng, W.Z, Han, Y, Jiang, Y.X. | | Deposit date: | 2023-01-26 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Lysosomal LAMP proteins regulate lysosomal pH by direct inhibition of the TMEM175 channel.
Mol.Cell, 83, 2023
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3A7V
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6UTR
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with copper | | Descriptor: | ATP-dependent sacrificial sulfur transferase LarE, COPPER (II) ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
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3A7T
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