6HJT
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![BU of 6hjt by Molmil](/molmil-images/mine/6hjt) | The X-ray structure of the horse spleen ferritin nanocage containing Pt, obtained upon encapsulation of a Pt(II) terpyridine compound within the protein cage | Descriptor: | CADMIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pica, A, Ferraro, G, Merlino, A. | Deposit date: | 2018-09-04 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Preparation, structure, cytotoxicity and mechanism of action of ferritin-Pt(II) terpyridine compound nanocomposites. Nanomedicine (Lond), 13, 2018
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6HJU
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![BU of 6hju by Molmil](/molmil-images/mine/6hju) | The X-ray structure of the horse spleen ferritin nanocage containing Pt, obtained upon encapsulation of a Pt(II) terpyridine compound within the protein cage | Descriptor: | CADMIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pica, A, Ferraro, G, Merlino, A. | Deposit date: | 2018-09-04 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Preparation, structure, cytotoxicity and mechanism of action of ferritin-Pt(II) terpyridine compound nanocomposites. Nanomedicine (Lond), 13, 2018
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3BPF
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![BU of 3bpf by Molmil](/molmil-images/mine/3bpf) | Crystal Structure of Falcipain-2 with Its inhibitor, E64 | Descriptor: | Cysteine protease falcipain-2, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | Authors: | kerr, I.D, Lee, J.H, Brinen, L.S. | Deposit date: | 2007-12-18 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity. J.Med.Chem., 52, 2009
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5DRB
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![BU of 5drb by Molmil](/molmil-images/mine/5drb) | Crystal structure of WNK1 in complex with WNK463 | Descriptor: | N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1 | Authors: | Kohls, D, Xie, X. | Deposit date: | 2015-09-15 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Small-molecule WNK inhibition regulates cardiovascular and renal function. Nat.Chem.Biol., 12, 2016
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5DWZ
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![BU of 5dwz by Molmil](/molmil-images/mine/5dwz) | Structural and functional characterization of PqsBC, a condensing enzyme in the biosynthesis of the Pseudomonas aeruginosa quinolone signal | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-oxoacyl-(Acyl carrier protein) synthase III, 3-oxoacyl-[acyl-carrier-protein] synthase 3, ... | Authors: | Drees, S.L, Li, C, Prasetya, F, Saleem, M, Dreveny, I, Hennecke, U, Williams, P, Emsley, J, Fetzner, S. | Deposit date: | 2015-09-23 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | PqsBC, a Condensing Enzyme in the Biosynthesis of the Pseudomonas aeruginosa Quinolone Signal: CRYSTAL STRUCTURE, INHIBITION, AND REACTION MECHANISM. J.Biol.Chem., 291, 2016
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6KP7
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![BU of 6kp7 by Molmil](/molmil-images/mine/6kp7) | |
6KP2
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![BU of 6kp2 by Molmil](/molmil-images/mine/6kp2) | |
4ZPF
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![BU of 4zpf by Molmil](/molmil-images/mine/4zpf) | |
3AKR
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![BU of 3akr by Molmil](/molmil-images/mine/3akr) | |
3AKS
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3FP7
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![BU of 3fp7 by Molmil](/molmil-images/mine/3fp7) | Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit | Descriptor: | 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2009-01-04 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure of a serine protease poised to resynthesize a peptide bond. Proc.Natl.Acad.Sci.USA, 106, 2009
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3CZ1
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![BU of 3cz1 by Molmil](/molmil-images/mine/3cz1) | Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0 | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-04-27 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
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6KPR
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3AKP
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3CYZ
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![BU of 3cyz by Molmil](/molmil-images/mine/3cyz) | Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with 9-keto-2(E)-decenoic acid at pH 7.0 | Descriptor: | (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-04-27 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
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3AKT
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3CZ0
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![BU of 3cz0 by Molmil](/molmil-images/mine/3cz0) | Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0 | Descriptor: | (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-04-27 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
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4UFE
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![BU of 4ufe by Molmil](/molmil-images/mine/4ufe) | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide | Descriptor: | (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-03-16 | Release date: | 2016-01-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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5LH4
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![BU of 5lh4 by Molmil](/molmil-images/mine/5lh4) | Trypsin inhibitors for the treatment of pancreatitis - cpd 1 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | Deposit date: | 2016-07-08 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg. Med. Chem. Lett., 26, 2016
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7VMT
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4XAS
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![BU of 4xas by Molmil](/molmil-images/mine/4xas) | mGluR2 ECD ligand complex | Descriptor: | (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2 | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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5MKO
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![BU of 5mko by Molmil](/molmil-images/mine/5mko) | [2Fe-2S] cluster containing TtuA in complex with AMP. | Descriptor: | ADENOSINE MONOPHOSPHATE, FE2/S2 (INORGANIC) CLUSTER, TtuA PH0300, ... | Authors: | Arragain, S, Bimai, O, Legrand, P, Golinelli-Pimpaneau, B. | Deposit date: | 2016-12-05 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Nonredox thiolation in tRNA occurring via sulfur activation by a [4Fe-4S] cluster. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5C0P
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![BU of 5c0p by Molmil](/molmil-images/mine/5c0p) | The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endo-arabinase, ... | Authors: | Tan, K, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-06-12 | Release date: | 2015-07-01 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.532 Å) | Cite: | The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482 To Be Published
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5MKP
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![BU of 5mkp by Molmil](/molmil-images/mine/5mkp) | Non redox thiolation in transfer RNAs occuring via sulfur activation by a [4Fe-4S] cluster | Descriptor: | Fe4 H S5, PH0300, ZINC ION | Authors: | Arragain, S, Bimai, O, Legrand, P, Golinelli-Pimpaneau, B. | Deposit date: | 2016-12-05 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonredox thiolation in tRNA occurring via sulfur activation by a [4Fe-4S] cluster. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1K1Y
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![BU of 1k1y by Molmil](/molmil-images/mine/1k1y) | Crystal structure of thermococcus litoralis 4-alpha-glucanotransferase complexed with acarbose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-ALPHA-GLUCANOTRANSFERASE, ... | Authors: | Imamura, H, Fushinobu, S, Kumasaka, T, Yamamoto, M, Jeon, B.S, Wakagi, T, Matsuzawa, H. | Deposit date: | 2001-09-26 | Release date: | 2003-06-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of 4-alpha-glucanotransferase from Thermococcus litoralis and its complex with an inhibitor J.BIOL.CHEM., 278, 2003
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