2XBS
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![BU of 2xbs by Molmil](/molmil-images/mine/2xbs) | Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy) | Descriptor: | CHLORIDE ION, LYSOZYME C | Authors: | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | Deposit date: | 2010-04-14 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure, 18, 2010
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4AGA
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![BU of 4aga by Molmil](/molmil-images/mine/4aga) | Hofmeister effects of ionic liquids in protein crystallization: direct and water-mediated interactions | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | Authors: | Mukhopadhyay, A, Carvalho, A.L, Romao, M.J. | Deposit date: | 2012-01-25 | Release date: | 2012-07-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions Cryst.Eng.Comm., 14, 2012
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2XBR
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![BU of 2xbr by Molmil](/molmil-images/mine/2xbr) | Raman crystallography of Hen White Egg Lysozyme - Low X-ray dose (0.2 MGy) | Descriptor: | CHLORIDE ION, LYSOZYME C | Authors: | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | Deposit date: | 2010-04-14 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure, 18, 2010
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4ONF
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![BU of 4onf by Molmil](/molmil-images/mine/4onf) | Fab fragment of 3D6 in complex with amyloid beta 1-7 | Descriptor: | 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein | Authors: | Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S. | Deposit date: | 2014-01-28 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab. Alzheimers Res Ther, 6, 2014
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4ONG
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![BU of 4ong by Molmil](/molmil-images/mine/4ong) | Fab fragment of 3D6 in complex with amyloid beta 1-40 | Descriptor: | 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein, ... | Authors: | Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S. | Deposit date: | 2014-01-28 | Release date: | 2014-06-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab. Alzheimers Res Ther, 6, 2014
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4TV9
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![BU of 4tv9 by Molmil](/molmil-images/mine/4tv9) | Tubulin-PM060184 complex | Descriptor: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-L-valyl)amino]octa-1,6-dien-4-yl carbamate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | Deposit date: | 2014-06-26 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs. Proc.Natl.Acad.Sci.USA, 111, 2014
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2YC3
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![BU of 2yc3 by Molmil](/molmil-images/mine/2yc3) | Inhibitors of the herbicidal target IspD | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ... | Authors: | Hoeffken, H.W. | Deposit date: | 2011-03-11 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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3WKU
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![BU of 3wku by Molmil](/molmil-images/mine/3wku) | Crystal structure of the anaerobic DesB-gallate complex | Descriptor: | 3,4,5-trihydroxybenzoic acid, FE (III) ION, Gallate dioxygenase | Authors: | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | Deposit date: | 2013-10-31 | Release date: | 2014-04-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6 Plos One, 9, 2014
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4BED
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![BU of 4bed by Molmil](/molmil-images/mine/4bed) | |
7BDS
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![BU of 7bds by Molmil](/molmil-images/mine/7bds) | |
4UFI
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![BU of 4ufi by Molmil](/molmil-images/mine/4ufi) | Mouse Galactocerebrosidase complexed with aza-galacto-fagomine AGF | Descriptor: | (3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-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: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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7BDR
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![BU of 7bdr by Molmil](/molmil-images/mine/7bdr) | Structure of CTX-M-15 E166Q mutant crystallised in the presence of tazobactam (AAI101) | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-12-22 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 13, 2022
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4U5D
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![BU of 4u5d by Molmil](/molmil-images/mine/4u5d) | Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.5757 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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4U5G
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![BU of 4u5g by Molmil](/molmil-images/mine/4u5g) | Crystal structure of con-ikot-ikot toxin | Descriptor: | Con-ikot-ikot, ZINC ION | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1997 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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4U5H
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![BU of 4u5h by Molmil](/molmil-images/mine/4u5h) | crystal structure of con-ikot-ikot toxin | Descriptor: | Con-ikot-ikot | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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7BMC
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![BU of 7bmc by Molmil](/molmil-images/mine/7bmc) | Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | Authors: | Centorrino, F, Andlovic, B, Ottmann, C. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3. Acs Chem.Biol., 17, 2022
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4U5Z
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![BU of 4u5z by Molmil](/molmil-images/mine/4u5z) | |
4TUO
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![BU of 4tuo by Molmil](/molmil-images/mine/4tuo) | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | Descriptor: | Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Golik, P, Grudnik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G. | Deposit date: | 2014-06-24 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
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4TWB
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![BU of 4twb by Molmil](/molmil-images/mine/4twb) | Sulfolobus solfataricus ribose-phosphate pyrophosphokinase | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION | Authors: | Kadziola, A. | Deposit date: | 2014-06-30 | Release date: | 2014-07-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structure of dimeric, recombinant Sulfolobus solfataricus phosphoribosyl diphosphate synthase: a bent dimer defining the adenine specificity of the substrate ATP. Extremophiles, 19, 2015
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4TXN
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![BU of 4txn by Molmil](/molmil-images/mine/4txn) | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil | Descriptor: | 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
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7BM9
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![BU of 7bm9 by Molmil](/molmil-images/mine/7bm9) | Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Centorrino, F, Andlovic, B, Ottmann, C. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3. Acs Chem.Biol., 17, 2022
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4TWT
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![BU of 4twt by Molmil](/molmil-images/mine/4twt) | Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21 | Descriptor: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol, ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY, GLYCEROL, ... | Authors: | Luzi, S, Kondo, Y, Bernard, E, Stadler, L, Winter, G, Holliger, P. | Deposit date: | 2014-07-01 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Subunit disassembly and inhibition of TNF alpha by a semi-synthetic bicyclic peptide. Protein Eng.Des.Sel., 28, 2015
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4TXH
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![BU of 4txh by Molmil](/molmil-images/mine/4txh) | Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form | Descriptor: | SULFATE ION, Uridine phosphorylase | Authors: | Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
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4TVH
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![BU of 4tvh by Molmil](/molmil-images/mine/4tvh) | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | Deposit date: | 2014-06-26 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J.Phys.Chem.B, 119, 2015
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4U8Z
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![BU of 4u8z by Molmil](/molmil-images/mine/4u8z) | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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