4TLT
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![BU of 4tlt by Molmil](/molmil-images/mine/4tlt) | Crystal structure of human transthyretin | Descriptor: | MAGNESIUM ION, Transthyretin | Authors: | Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S. | Deposit date: | 2014-05-30 | Release date: | 2015-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Uncovering the Mechanism of Aggregation of Human Transthyretin. J.Biol.Chem., 290, 2015
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5IGX
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5JCJ
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![BU of 5jcj by Molmil](/molmil-images/mine/5jcj) | Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7) | Descriptor: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | Deposit date: | 2016-04-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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4TLK
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![BU of 4tlk by Molmil](/molmil-images/mine/4tlk) | Crystal Structure of Human Transthyretin Ser85Pro/Glu92Pro Mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SODIUM ION, ... | Authors: | Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S. | Deposit date: | 2014-05-30 | Release date: | 2015-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Uncovering the Mechanism of Aggregation of Human Transthyretin. J.Biol.Chem., 290, 2015
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4TQH
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![BU of 4tqh by Molmil](/molmil-images/mine/4tqh) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid | Descriptor: | 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4ATL
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![BU of 4atl by Molmil](/molmil-images/mine/4atl) | Crystal structure of Raucaffricine glucosidase in complex with Glucose | Descriptor: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | Deposit date: | 2012-05-08 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature Phytochemistry, 91, 2013
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4WXM
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![BU of 4wxm by Molmil](/molmil-images/mine/4wxm) | FleQ REC domain from Pseudomonas aeruginosa PAO1 | Descriptor: | Transcriptional regulator FleQ | Authors: | Su, T, Liu, S, Gu, L. | Deposit date: | 2014-11-14 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator J.Struct.Biol., 192, 2015
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4ATD
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![BU of 4atd by Molmil](/molmil-images/mine/4atd) | Crystal structure of native Raucaffricine glucosidase | Descriptor: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | Deposit date: | 2012-05-05 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature Phytochemistry, 91, 2013
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2BBK
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4TM9
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1NTM
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![BU of 1ntm by Molmil](/molmil-images/mine/1ntm) | Crystal Structure of Mitochondrial Cytochrome bc1 Complex at 2.4 Angstrom | Descriptor: | Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C, Xia, D. | Deposit date: | 2003-01-30 | Release date: | 2003-10-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site Biochemistry, 42, 2003
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6GFA
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![BU of 6gfa by Molmil](/molmil-images/mine/6gfa) | Structure of Nucleotide binding domain of HSP110, ATP and Mg2+ complexed | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 105 kDa, MAGNESIUM ION | Authors: | Gonzalez, D, Gotthard, G, Gozzi, G.J, Seigneuric, R, Neiers, F, Briand, L, Garrido, C. | Deposit date: | 2018-04-29 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selecting the first chemical molecule inhibitor of HSP110 for colorectal cancer therapy. Cell Death Differ., 27, 2020
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4RVQ
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![BU of 4rvq by Molmil](/molmil-images/mine/4rvq) | PWI-like domain of Chaetomium thermophilum Brr2 | Descriptor: | 1,2-ETHANEDIOL, Pre-mRNA splicing helicase-like protein, SULFATE ION | Authors: | Absmeier, E, Rosenberger, L, Santos, K.F, Becke, C, Wahl, M.C. | Deposit date: | 2014-11-27 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.135 Å) | Cite: | A noncanonical PWI domain in the N-terminal helicase-associated region of the spliceosomal Brr2 protein. Acta Crystallogr.,Sect.D, 71, 2015
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3ZPD
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5I9Q
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![BU of 5i9q by Molmil](/molmil-images/mine/5i9q) | Crystal structure of 3BNC55 Fab in complex with 426c.TM4deltaV1-3 gp120 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC55 Fab heavy chain, ... | Authors: | Scharf, L, Chen, C, Bjorkman, P.J. | Deposit date: | 2016-02-20 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for germline antibody recognition of HIV-1 immunogens. Elife, 5, 2016
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5JXT
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4BD4
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![BU of 4bd4 by Molmil](/molmil-images/mine/4bd4) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant H43F | Descriptor: | GLYCEROL, SUPEROXIDE DISMUTASE [CU-ZN] | Authors: | Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T. | Deposit date: | 2012-10-04 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Global Structural Motions from the Strain of a Single Hydrogen Bond. Proc.Natl.Acad.Sci.USA, 110, 2013
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4TNE
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![BU of 4tne by Molmil](/molmil-images/mine/4tne) | Crystal Structure of Human Transthyretin Thr119Tyr Mutant | Descriptor: | GLYCEROL, Transthyretin | Authors: | Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S. | Deposit date: | 2014-06-03 | Release date: | 2015-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Uncovering the Mechanism of Aggregation of Human Transthyretin. J.Biol.Chem., 290, 2015
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4TQ8
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![BU of 4tq8 by Molmil](/molmil-images/mine/4tq8) | Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | Descriptor: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | Authors: | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | Deposit date: | 2014-06-10 | Release date: | 2015-06-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4RVM
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![BU of 4rvm by Molmil](/molmil-images/mine/4rvm) | CHK1 kinase domain with diazacarbazole compound 19 | Descriptor: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S. | Deposit date: | 2014-11-26 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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1NYX
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![BU of 1nyx by Molmil](/molmil-images/mine/1nyx) | Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist | Descriptor: | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID, peroxisome proliferator activated receptor gamma | Authors: | Ebdrup, S, Pettersson, I, Rasmussen, H.B, Deussen, H.-J, Frost Jensen, A, Mortensen, S.B, Fleckner, J, Pridal, L, Nygaard, L, Sauerberg, P. | Deposit date: | 2003-02-14 | Release date: | 2003-07-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and biological and structural characterization of the dual-acting peroxisome proliferator-activated receptor alpha/gamma agonist ragaglitazar J.MED.CHEM., 46, 2003
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4A5V
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![BU of 4a5v by Molmil](/molmil-images/mine/4a5v) | Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4 | Descriptor: | MICRONEMAL PROTEIN 4 | Authors: | Marchant, J, Cowper, B, Liu, Y, Lai, L, Pinzan, C, Marq, J.B, Friedrich, N, Sawmynaden, K, Chai, W, Childs, R.A, Saouros, S, Simpson, P, Barreira, M.C.R, Feizi, T, Soldati-Favre, D, Matthews, S. | Deposit date: | 2011-10-28 | Release date: | 2012-04-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Galactose Recognition by the Apicomplexan Parasite Toxoplasma Gondii. J.Biol.Chem., 287, 2012
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8C1V
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![BU of 8c1v by Molmil](/molmil-images/mine/8c1v) | SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sb92, ... | Authors: | Huiskonen, J.T, Rissanen, I, Hannula, L. | Deposit date: | 2022-12-21 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants. Nat Commun, 14, 2023
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5KO9
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![BU of 5ko9 by Molmil](/molmil-images/mine/5ko9) | Crystal Structure of the SRAP Domain of Human HMCES Protein | Descriptor: | Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-29 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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4TQI
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![BU of 4tqi by Molmil](/molmil-images/mine/4tqi) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | Authors: | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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