6SXS
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![BU of 6sxs by Molmil](/molmil-images/mine/6sxs) | GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | Deposit date: | 2019-09-26 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.859 Å) | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
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6T6K
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![BU of 6t6k by Molmil](/molmil-images/mine/6t6k) | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 6.5 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCINE, ... | Authors: | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | Deposit date: | 2019-10-18 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein. Commun Biol, 4, 2021
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6T6O
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![BU of 6t6o by Molmil](/molmil-images/mine/6t6o) | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 4.6 | Descriptor: | ASPARAGINE, CHLORIDE ION, GLYCEROL, ... | Authors: | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | Deposit date: | 2019-10-18 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein. Commun Biol, 4, 2021
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4YMQ
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![BU of 4ymq by Molmil](/molmil-images/mine/4ymq) | X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist | Descriptor: | 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | li, X. | Deposit date: | 2015-03-07 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators. Bioorg.Med.Chem.Lett., 25, 2015
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4X1F
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![BU of 4x1f by Molmil](/molmil-images/mine/4x1f) | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2 | Authors: | Delfosse, V, Huet, T, Bourguet, W. | Deposit date: | 2014-11-24 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds. Nat Commun, 6, 2015
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6SXT
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![BU of 6sxt by Molmil](/molmil-images/mine/6sxt) | GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | Deposit date: | 2019-09-26 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
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6SXU
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![BU of 6sxu by Molmil](/molmil-images/mine/6sxu) | |
4X1G
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![BU of 4x1g by Molmil](/molmil-images/mine/4x1g) | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... | Authors: | Delfosse, V, Huet, T, Bourguet, W. | Deposit date: | 2014-11-24 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds. Nat Commun, 6, 2015
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6T6M
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![BU of 6t6m by Molmil](/molmil-images/mine/6t6m) | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 5.5 | Descriptor: | GLYCEROL, HISTIDINE, Orange carotenoid-binding protein, ... | Authors: | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | Deposit date: | 2019-10-18 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein. Commun Biol, 4, 2021
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6SXR
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![BU of 6sxr by Molmil](/molmil-images/mine/6sxr) | E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | Deposit date: | 2019-09-26 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
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6EM9
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![BU of 6em9 by Molmil](/molmil-images/mine/6em9) | S.aureus ClpC resting state, asymmetric map | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpC | Authors: | Carroni, M, Mogk, A, Bukau, B, Franke, K. | Deposit date: | 2017-10-01 | Release date: | 2017-12-27 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | Regulatory coiled-coil domains promote head-to-head assemblies of AAA+ chaperones essential for tunable activity control. Elife, 6, 2017
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7ZQ8
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![BU of 7zq8 by Molmil](/molmil-images/mine/7zq8) | VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=4 VLP) | Descriptor: | VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR | Authors: | Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J. | Deposit date: | 2022-04-29 | Release date: | 2023-01-18 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display. Msphere, 8, 2023
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7ZQA
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![BU of 7zqa by Molmil](/molmil-images/mine/7zqa) | VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=3* VLP) | Descriptor: | VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR | Authors: | Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J. | Deposit date: | 2022-04-29 | Release date: | 2023-01-18 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display. Msphere, 8, 2023
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6B4D
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![BU of 6b4d by Molmil](/molmil-images/mine/6b4d) | Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | Descriptor: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, R. | Deposit date: | 2017-09-26 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.196 Å) | Cite: | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors. ACS Med Chem Lett, 8, 2017
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7PRW
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![BU of 7prw by Molmil](/molmil-images/mine/7prw) | The glucocorticoid receptor in complex with velsecorat, a PGC1a coactivator fragment and sgk 23bp | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*TP*GP*TP*AP*C)-3'), ... | Authors: | Postel, S, Edman, K, Wissler, L. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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7PRV
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![BU of 7prv by Molmil](/molmil-images/mine/7prv) | The glucocorticoid receptor in complex with fluticasone furoate, a PGC1a coactivator fragment and sgk 23bp | Descriptor: | (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate, 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), ... | Authors: | Postel, S, Edman, K, Wissler, L. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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7PRX
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![BU of 7prx by Molmil](/molmil-images/mine/7prx) | wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment | Descriptor: | Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat | Authors: | Edman, K, Wissler, L, Koehler, C, Postel, S. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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8AYH
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![BU of 8ayh by Molmil](/molmil-images/mine/8ayh) | |
3KB7
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![BU of 3kb7 by Molmil](/molmil-images/mine/3kb7) | Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | Descriptor: | 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ... | Authors: | Bossi, R.T, Bertrand, J.A. | Deposit date: | 2009-10-20 | Release date: | 2010-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors J.Med.Chem., 53, 2010
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6HTG
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![BU of 6htg by Molmil](/molmil-images/mine/6htg) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4 | Descriptor: | 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTZ
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![BU of 6htz by Molmil](/molmil-images/mine/6htz) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8 | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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2YNY
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![BU of 2yny by Molmil](/molmil-images/mine/2yny) | Salmonella enterica SadA 255-302 fused to GCN4 adaptors (SadAK1) | Descriptor: | GENERAL CONTROL PROTEIN GCN4, PUTATIVE INNER MEMBRANE PROTEIN | Authors: | Hartmann, M.D, Hernandez Alvarez, B, Albrecht, R, Lupas, A.N. | Deposit date: | 2012-10-20 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Complete Fiber Structures of Complex Trimeric Autotransporter Adhesins Conserved in Enterobacteria. Proc.Natl.Acad.Sci.USA, 109, 2012
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6HSG
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![BU of 6hsg by Molmil](/molmil-images/mine/6hsg) | Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU1
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![BU of 6hu1 by Molmil](/molmil-images/mine/6hu1) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | Descriptor: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU0
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![BU of 6hu0 by Molmil](/molmil-images/mine/6hu0) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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