4CSJ
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![BU of 4csj by Molmil](/molmil-images/mine/4csj) | The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation | Descriptor: | 1,2-ETHANEDIOL, GLUCOCORTICOID RECEPTOR, N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, ... | Authors: | Edman, K, Ahlgren, R, Bengtsson, M, Bladh, H, Backstrom, S, Dahmen, J, Henriksson, K, Hillertz, P, Hulikal, V, Jerre, A, Kinchin, L, Kase, C, Lepisto, M, Mile, I, Nilsson, S, Smailagic, A, Taylor, J, Tjornebo, A, Wissler, L, Hansson, T. | Deposit date: | 2014-03-07 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation. Bioorg.Med.Chem.Lett., 24, 2014
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3TUY
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![BU of 3tuy by Molmil](/molmil-images/mine/3tuy) | Phosphorylated Light Chain Domain of Scallop smooth Muscle Myosin | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | Authors: | Kumar, V.S.S, O'Neall-hennessey, E, Reshetnikova, L, Brown, J.H, Robinson, H, Szent-Gyorgyi, A.G, Cohen, C. | Deposit date: | 2011-09-19 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Crystal structure of a phosphorylated light chain domain of scallop smooth-muscle Myosin. Biophys.J., 101, 2011
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3PN7
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![BU of 3pn7 by Molmil](/molmil-images/mine/3pn7) | Visualizing new hinges and a potential major source of compliance in the lever arm of myosin | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | Authors: | Brown, J.H, Senthil-Kumar, V.S, O'Neall-Hennessey, E, Reshetnikova, L, Robinson, H, Nguyen-McCarty, M, Szent-Gyorgyi, A.G, Cohen, C. | Deposit date: | 2010-11-18 | Release date: | 2011-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Visualizing key hinges and a potential major source of compliance in the lever arm of myosin. Proc.Natl.Acad.Sci.USA, 108, 2011
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4CI4
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3LKA
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3TS5
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![BU of 3ts5 by Molmil](/molmil-images/mine/3ts5) | Crystal Structure of a Light Chain Domain of Scallop Smooth Muscle Myosin | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | Authors: | Kumar, V.S.S, O'Neall-Hennessey, E, Reshetnikova, L, Brown, J.H, Robinson, H, Szent-Gyorgyi, A.G, Cohen, C. | Deposit date: | 2011-09-12 | Release date: | 2011-11-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Crystal structure of a phosphorylated light chain domain of scallop smooth-muscle Myosin. Biophys.J., 101, 2011
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1HKB
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![BU of 1hkb by Molmil](/molmil-images/mine/1hkb) | CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, D-GLUCOSE 6-PHOSPHOTRANSFERASE, ... | Authors: | Aleshin, A.E, Zeng, C, Burenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1997-12-01 | Release date: | 1998-06-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate. Structure, 6, 1998
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5Z8F
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![BU of 5z8f by Molmil](/molmil-images/mine/5z8f) | Solution structure for the unique dimeric 4:2 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex | Descriptor: | 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER) | Authors: | Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W. | Deposit date: | 2018-01-31 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding Nat Commun, 9, 2018
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7FZ3
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![BU of 7fz3 by Molmil](/molmil-images/mine/7fz3) | Crystal Structure of human FABP4 in complex with 4-(4-chlorophenoxy)benzenesulfinic acid:sodium hydride | Descriptor: | 1-[bis(oxidanyl)-$l^{3}-sulfanyl]-4-(4-chloranylphenoxy)benzene, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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8BHG
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![BU of 8bhg by Molmil](/molmil-images/mine/8bhg) | GABA-A receptor a5 heteromer - a5V2 - Bretazenil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bretazenil, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R. | Deposit date: | 2022-10-31 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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2M2Q
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![BU of 2m2q by Molmil](/molmil-images/mine/2m2q) | Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia | Descriptor: | Inhibitor cystine knot peptide MCh-1 | Authors: | He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N. | Deposit date: | 2013-01-01 | Release date: | 2013-11-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Novel Inhibitor Cystine Knot Peptides from Momordica charantia. Plos One, 8, 2013
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7YY9
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6XZE
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![BU of 6xze by Molmil](/molmil-images/mine/6xze) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-04 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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8OQI
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![BU of 8oqi by Molmil](/molmil-images/mine/8oqi) | Cryo-EM structure of the wild-type alpha-synuclein fibril. | Descriptor: | Alpha-synuclein | Authors: | Pesch, V, Reithofer, S, Ma, L, Flores-Fernandez, J.M, Oezduezenciler, P, Busch, Y, Lien, Y, Rudtke, O, Frieg, B, Schroeder, G.F, Wille, H, Tamgueney, G. | Deposit date: | 2023-04-12 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Vaccination with structurally adapted fungal protein fibrils induces immunity to Parkinson's disease. Brain, 147, 2024
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4HLA
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![BU of 4hla by Molmil](/molmil-images/mine/4hla) | Crystal structure of wild type HIV-1 protease in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Yedidi, R.S, Garimella, H, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2012-10-16 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
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2M2R
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![BU of 2m2r by Molmil](/molmil-images/mine/2m2r) | Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia | Descriptor: | Inhibitor cystine knot peptide MCh-2 | Authors: | He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N. | Deposit date: | 2013-01-01 | Release date: | 2013-11-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Novel Inhibitor Cystine Knot Peptides from Momordica charantia. Plos One, 8, 2013
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7PZI
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7PZK
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![BU of 7pzk by Molmil](/molmil-images/mine/7pzk) | HBc-WT in complex with Triton X-100 | Descriptor: | Capsid protein, FRAGMENT OF TRITON X-100 | Authors: | Makbul, C, Boettcher, B. | Deposit date: | 2021-10-12 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97. Viruses, 13, 2021
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7PZN
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7PZM
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![BU of 7pzm by Molmil](/molmil-images/mine/7pzm) | HBc-P5T in complex with X-100 | Descriptor: | Capsid protein, FRAGMENT OF TRITON X-100 | Authors: | Makbul, C, Boettcher, B. | Deposit date: | 2021-10-12 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97. Viruses, 13, 2021
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7PZL
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![BU of 7pzl by Molmil](/molmil-images/mine/7pzl) | HBc-F97L premature secretion phenotype | Descriptor: | Capsid protein, FRAGMENT OF TRITON X-100 | Authors: | Makbul, C, Boettcher, B. | Deposit date: | 2021-10-12 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97. Viruses, 13, 2021
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6XZX
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![BU of 6xzx by Molmil](/molmil-images/mine/6xzx) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6Y00
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![BU of 6y00 by Molmil](/molmil-images/mine/6y00) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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4I7J
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![BU of 4i7j by Molmil](/molmil-images/mine/4i7j) | T4 Lysozyme L99A/M102H with benzene bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BENZENE, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4XI3
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![BU of 4xi3 by Molmil](/molmil-images/mine/4xi3) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with Bazedoxifene | Descriptor: | Bazedoxifene, Estrogen receptor | Authors: | Fanning, S.W, Mayne, C.G, Toy, W, Carlson, K, Greene, B, Nowak, J, Walter, R, Panchamukhi, S, Tajhorshid, E, Nettles, K.W, Chandarlapaty, S, Katzenellenbogen, J, Greene, G.L. | Deposit date: | 2015-01-06 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells. Elife, 7, 2018
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