8PXF
 
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6XXT
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8WUY
 | | Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | | Descriptor: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | | Authors: | Hong, W.B, Chen, X.Q, Lin, T.W. | | Deposit date: | 2023-10-21 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
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3MMF
 | | Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | | Descriptor: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | | Deposit date: | 2010-04-19 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies.
Bioorg.Med.Chem., 19, 2011
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8QEA
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 96 fs structure | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-08-31 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QLB
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 100 ns structure | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL3
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 233 fs structure | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL8
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 125 ps structure | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL6
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 25 ps structure | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL5
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 1 ps structure | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL7
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 35 ps structure | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL4
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 349 fs structure | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL2
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: dark structure | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QL9
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 1 ns structure | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8QLA
 | | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 10 ns structure | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
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8HFN
 | | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7b | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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8HFO
 | | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7d | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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4G6W
 | | Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol | | Descriptor: | 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase | | Authors: | Celeste, L.R, Lebioda, L. | | Deposit date: | 2012-07-19 | | Release date: | 2013-07-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
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8SAF
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6R71
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-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: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (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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2OSF
 | | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | | Descriptor: | 4-MERCAPTOBENZENE-1,3-DIOL, Carbonic anhydrase 2, S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate, ... | | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Tripp, B.C. | | Deposit date: | 2007-02-05 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study.
Biochemistry, 47, 2008
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4IQK
 | | Crystal structure of cpd 16 bound to Keap1 Kelch domain | | Descriptor: | Kelch-like ECH-associated protein 1, N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) | | Authors: | Silvian, L, Marcotte, D. | | Deposit date: | 2013-01-11 | | Release date: | 2013-05-15 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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4BTU
 | | Factor Xa in complex with the dual thrombin-FXa inhibitor 57. | | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
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4FL6
 | | Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 | | Descriptor: | Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | | Authors: | Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-14 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
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6R6J
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
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