3CS6
 
 | | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor | | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | | Deposit date: | 2008-04-09 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
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6FUH
 | | Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine | | Descriptor: | (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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1FS1
 | | INSIGHTS INTO SCF UBIQUITIN LIGASES FROM THE STRUCTURE OF THE SKP1-SKP2 COMPLEX | | Descriptor: | CYCLIN A/CDK2-ASSOCIATED P19, CYCLIN A/CDK2-ASSOCIATED P45 | | Authors: | Schulman, B.A, Carrano, A.C, Jeffrey, P.D, Bowen, Z, Kinnucan, E.R.E, Finnin, M.S, Elledge, S.J, Harper, J.W, Pagano, M, Pavletich, N.P. | | Deposit date: | 2000-09-08 | | Release date: | 2000-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into SCF ubiquitin ligases from the structure of the Skp1-Skp2 complex.
Nature, 408, 2000
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1JQG
 | | Crystal Structure of the Carboxypeptidase A from Helicoverpa Armigera | | Descriptor: | ZINC ION, carboxypeptidase A | | Authors: | Estebanez-Perpina, E, Bayes, A, Vendrell, J, Jongsma, M.A, Bown, D.P, Gatehouse, J.A, Huber, R, Bode, W, Aviles, F.X, Reverter, D. | | Deposit date: | 2001-08-07 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a novel mid-gut procarboxypeptidase from the cotton pest Helicoverpa armigera.
J.Mol.Biol., 313, 2001
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3ZLV
 | | Crystal structure of mouse acetylcholinesterase in complex with tabun and HI-6 | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | Authors: | Artursson, E, Andersson, P.O, Akfur, C, Linusson, A, Borjegren, S, Ekstrom, F. | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013
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5DHZ
 | | HIV-1 Rev NTD dimers with variable crossing angles | | Descriptor: | Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ... | | Authors: | DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C. | | Deposit date: | 2015-08-31 | | Release date: | 2016-06-29 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
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5YNI
 | | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAM and m7GpppG | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, S-ADENOSYLMETHIONINE, ZINC ION, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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5YNQ
 | | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAH and m7GpppG | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-25 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.958 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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6FUZ
 | | Crystal structure of the TPR domain of KLC1 in complex with the C-terminal peptide of JIP1 | | Descriptor: | GLYCEROL, Kinesin light chain 1,Kinesin light chain 1,C-Jun-amino-terminal kinase-interacting protein 1, nanobody | | Authors: | Pernigo, S, Dodding, M.P, Steiner, R.A. | | Deposit date: | 2018-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2019-09-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for isoform-specific kinesin-1 recognition of Y-acidic cargo adaptors.
Elife, 7, 2018
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5Y9G
 | | Crystal structure of Salmonella SafD adhesin | | Descriptor: | Pilin structural protein SafD,Pilus assembly protein | | Authors: | Zeng, L.H, Zhang, L, Wang, P.R, Meng, G. | | Deposit date: | 2017-08-25 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of host recognition and biofilm formation by Salmonella Saf pili
Elife, 6, 2017
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3ZR0
 | | Crystal structure of human MTH1 in complex with 8-oxo-dGMP | | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION | | Authors: | Svensson, L.M, Jemth, A, Desroses, M, Loseva, O, Helleday, T, Hogbom, M, Stenmark, P. | | Deposit date: | 2011-06-13 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Human Mth1 and the 8-Oxo-Dgmp Product Complex.
FEBS Lett., 585, 2011
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2W7I
 | | Crystal structure of Y61AbsSHMT internal aldimine | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | | Authors: | Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2008-12-22 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage.
FEBS J., 275, 2008
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6G3N
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6HN4
 | | Leucine-zippered human insulin receptor ectodomain with single bound insulin - "lower" membrane-proximal part | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor,Insulin receptor,General control protein GCN4 | | Authors: | Weis, F, Menting, J.G, Margetts, M.B, Chan, S.J, Xu, Y, Tennagels, N, Wohlfart, P, Langer, T, Mueller, C.W, Dreyer, M.K, Lawrence, M.C. | | Deposit date: | 2018-09-14 | | Release date: | 2018-11-21 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The signalling conformation of the insulin receptor ectodomain.
Nat Commun, 9, 2018
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2JLA
 | | Crystal structure of E.coli MenD, 2-succinyl-5-enolpyruvyl-6-hydroxy- 3-cyclohexadiene-1-carboxylate synthase - SeMet protein | | Descriptor: | 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Dawson, A, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2008-09-05 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Specificity and Reactivity in Menaquinone Biosynthesis: The Structure of Escherichia Coli Mend (2-Succinyl-5-Enolpyruvyl-6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase).
J.Mol.Biol., 384, 2008
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6G40
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH9525 | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, N-glycosylase/DNA lyase, ... | | Authors: | Masuyer, G, Helleday, T, Stenmark, P. | | Deposit date: | 2018-03-26 | | Release date: | 2019-04-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
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5YBI
 | | Structure of the bacterial pathogens ATPase with substrate AMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ... | | Authors: | Mu, Z.X, Gao, X.P, Cui, S. | | Deposit date: | 2017-09-05 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.268 Å) | | Cite: | Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri.
Front Microbiol, 9, 2018
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5EAS
 | | 5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM | | Descriptor: | 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION | | Authors: | Starks, C.M, Back, K, Chappell, J, Noel, J.P. | | Deposit date: | 1997-06-19 | | Release date: | 1997-10-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase.
Science, 277, 1997
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6BJ7
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine | | Descriptor: | 4-chloro-6-methylpyrimidin-2-amine, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-11-05 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine
To Be Published
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6HTF
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5YCT
 | | Engineered hairpin loop3 mutant monomer in Single-chain Monellin | | Descriptor: | Single chain Monellin | | Authors: | Surana, P, Nandwani, N, Udgaonkar, J.B, Gosavi, S, Das, R. | | Deposit date: | 2017-09-08 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | A five-residue motif for the design of domain swapping in proteins.
Nat Commun, 10, 2019
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5ED3
 | | crystal structure of human Hint1 complexing with AP5A | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2015-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.309 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6H8U
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2VX2
 | | Crystal structure of human enoyl Coenzyme A hydratase domain- containing protein 3 (ECHDC3) | | Descriptor: | ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3 | | Authors: | Yue, W.W, Guo, K, Kochan, G, Pilka, E, Murray, J.W, Salah, E, Cocking, R, Sun, Z, Roos, A.K, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Human Enoyl Coenzyme a Hydratase Domain-Containing Protein 3 (Echdc3)
To be Published
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1RMX
 | | A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | | Authors: | Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D. | | Deposit date: | 2003-11-28 | | Release date: | 2004-08-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole.
J.Am.Chem.Soc., 126, 2004
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