6EHR
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8T4C
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5Y2F
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![BU of 5y2f by Molmil](/molmil-images/mine/5y2f) | Human SIRT6 in complex with allosteric activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, J, Huang, Z, Song, K. | Deposit date: | 2017-07-25 | Release date: | 2018-11-07 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification of a cellularly active SIRT6 allosteric activator. Nat. Chem. Biol., 14, 2018
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4MR5
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![BU of 4mr5 by Molmil](/molmil-images/mine/4mr5) | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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8JKK
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5ONI
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![BU of 5oni by Molmil](/molmil-images/mine/5oni) | LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | Descriptor: | 1,4-BUTANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | Authors: | Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K. | Deposit date: | 2017-08-03 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '. Pharmaceuticals (Basel), 10, 2017
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8K79
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8K78
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4MR3
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![BU of 4mr3 by Molmil](/molmil-images/mine/4mr3) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MR6
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![BU of 4mr6 by Molmil](/molmil-images/mine/4mr6) | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MR4
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![BU of 4mr4 by Molmil](/molmil-images/mine/4mr4) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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8JFG
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8JFN
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8JFM
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8JFJ
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![BU of 8jfj by Molmil](/molmil-images/mine/8jfj) | Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Song, W.Y, Zhang, L. | Deposit date: | 2023-05-18 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JFA
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8JFH
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8JF9
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8JFI
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8JNK
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5GY1
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![BU of 5gy1 by Molmil](/molmil-images/mine/5gy1) | Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotriose | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | Deposit date: | 2016-09-21 | Release date: | 2017-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris. Chembiochem, 20, 2019
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8JNR
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5GXX
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![BU of 5gxx by Molmil](/molmil-images/mine/5gxx) | Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | Deposit date: | 2016-09-21 | Release date: | 2017-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris. Chembiochem, 20, 2019
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5GXZ
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![BU of 5gxz by Molmil](/molmil-images/mine/5gxz) | Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and cellotriose | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | Deposit date: | 2016-09-21 | Release date: | 2017-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris. Chembiochem, 20, 2019
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8K7I
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![BU of 8k7i by Molmil](/molmil-images/mine/8k7i) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2-(hydroxymethyl)-5-((methylamino)methyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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