5SZ0
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![BU of 5sz0 by Molmil](/molmil-images/mine/5sz0) | Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5SZ7
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![BU of 5sz7 by Molmil](/molmil-images/mine/5sz7) | Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide | Descriptor: | 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5SZ4
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![BU of 5sz4 by Molmil](/molmil-images/mine/5sz4) | Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5SZ5
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![BU of 5sz5 by Molmil](/molmil-images/mine/5sz5) | Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5SZ1
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![BU of 5sz1 by Molmil](/molmil-images/mine/5sz1) | Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5DI1
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![BU of 5di1 by Molmil](/molmil-images/mine/5di1) | MAP4K4 in complex with an inhibitor | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2015-08-31 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. Acs Med.Chem.Lett., 6, 2015
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2E88
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![BU of 2e88 by Molmil](/molmil-images/mine/2e88) | Crystal structure of the human Hsp70 ATPase domain in the apo form | Descriptor: | Heat shock 70kDa protein 1A, ZINC ION | Authors: | Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-01-19 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state. Acta Crystallogr.,Sect.D, 66, 2010
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6TJO
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![BU of 6tjo by Molmil](/molmil-images/mine/6tjo) | Cryo-EM structure of TypeI tau filaments extracted from the brains of individuals with Corticobasal degeneration | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-11-26 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Novel tau filament fold in corticobasal degeneration. Nature, 580, 2020
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6TJX
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![BU of 6tjx by Molmil](/molmil-images/mine/6tjx) | Cryo-EM structure of TypeII tau filaments extracted from the brains of individuals with Corticobasal degeneration | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-11-27 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Novel tau filament fold in corticobasal degeneration. Nature, 580, 2020
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5B1M
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![BU of 5b1m by Molmil](/molmil-images/mine/5b1m) | The mouse nucleosome structure containing H3.1 | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ... | Authors: | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | Deposit date: | 2015-12-08 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis Cell Rep, 18, 2017
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5SZ3
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![BU of 5sz3 by Molmil](/molmil-images/mine/5sz3) | Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide | Descriptor: | 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.689 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5SZ6
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![BU of 5sz6 by Molmil](/molmil-images/mine/5sz6) | Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide | Descriptor: | 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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2CY1
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![BU of 2cy1 by Molmil](/molmil-images/mine/2cy1) | Crystal structure of APE1850 | Descriptor: | NusA protein homolog | Authors: | Shibata, R, Bessho, Y, Umehara, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-04 | Release date: | 2006-01-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallization of the archaeal transcription termination factor NusA: a significant decrease in twinning under microgravity conditions Acta Crystallogr.,Sect.F, 63, 2007
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6UBW
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![BU of 6ubw by Molmil](/molmil-images/mine/6ubw) | MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody | Descriptor: | CHLORIDE ION, Hepatocyte growth factor receptor, N-(6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide | Authors: | Hoffman, I.D, Lawson, J.D. | Deposit date: | 2019-09-13 | Release date: | 2020-02-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody. Mol.Cancer Ther., 16, 2017
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5BX5
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![BU of 5bx5 by Molmil](/molmil-images/mine/5bx5) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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5BX2
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![BU of 5bx2 by Molmil](/molmil-images/mine/5bx2) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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3CP9
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![BU of 3cp9 by Molmil](/molmil-images/mine/3cp9) | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | Descriptor: | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-03-31 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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6V7A
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![BU of 6v7a by Molmil](/molmil-images/mine/6v7a) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2657 | Descriptor: | Hdac6 protein, N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide, POTASSIUM ION, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-12-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.0874176 Å) | Cite: | Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation. Acs Med.Chem.Lett., 11, 2020
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6US9
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![BU of 6us9 by Molmil](/molmil-images/mine/6us9) | |
1UGO
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![BU of 1ugo by Molmil](/molmil-images/mine/1ugo) | Solution structure of the first Murine BAG domain of Bcl2-associated athanogene 5 | Descriptor: | Bcl2-associated athanogene 5 | Authors: | Endoh, H, Hayashi, F, Seimiya, K, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-17 | Release date: | 2004-08-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange Structure, 18, 2010
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2P3D
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![BU of 2p3d by Molmil](/molmil-images/mine/2p3d) | Crystal Structure of the multi-drug resistant mutant subtype F HIV protease complexed with TL-3 inhibitor | Descriptor: | Pol protein, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | Deposit date: | 2007-03-08 | Release date: | 2007-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development. J.Mol.Biol., 369, 2007
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2P3A
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![BU of 2p3a by Molmil](/molmil-images/mine/2p3a) | Crystal Structure of the multi-drug resistant mutant subtype B HIV protease complexed with TL-3 inhibitor | Descriptor: | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | Deposit date: | 2007-03-08 | Release date: | 2007-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development. J.Mol.Biol., 369, 2007
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6US8
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![BU of 6us8 by Molmil](/molmil-images/mine/6us8) | |
2P3C
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![BU of 2p3c by Molmil](/molmil-images/mine/2p3c) | Crystal Structure of the subtype F wild type HIV protease complexed with TL-3 inhibitor | Descriptor: | ACETIC ACID, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | Deposit date: | 2007-03-08 | Release date: | 2007-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development. J.Mol.Biol., 369, 2007
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6VPX
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![BU of 6vpx by Molmil](/molmil-images/mine/6vpx) | |