8JXC
| rat megalin wingB | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | Deposit date: | 2023-06-30 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin. Proc.Natl.Acad.Sci.USA, 121, 2024
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2XHW
| HCV-J4 NS5B Polymerase Trigonal Crystal Form | Descriptor: | RNA-directed RNA polymerase | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-21 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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7K6O
| Crystal structure of PI3Kalpha inhibitor 10-5429 | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.738 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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6TA9
| Bd0314 DslA wild-type form 1 | Descriptor: | SLT domain-containing protein, SULFATE ION | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2019-10-29 | Release date: | 2020-07-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.361 Å) | Cite: | A lysozyme with altered substrate specificity facilitates prey cell exit by the periplasmic predator Bdellovibrio bacteriovorus. Nat Commun, 11, 2020
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5NOO
| Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W. | Deposit date: | 2017-04-12 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. J. Mol. Graph. Model., 77, 2017
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6D1D
| Crystal structure of NDM-1 complexed with compound 6 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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5KGJ
| X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with galactosamine | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-alpha-D-galactopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ... | Authors: | Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M. | Deposit date: | 2016-06-13 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase. Biochemistry, 55, 2016
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5N37
| cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium, DIMETHYL SULFOXIDE, ... | Authors: | Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2017-02-08 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A To Be Published
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5N3M
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6D1I
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2C90
| thrombin inhibitors | Descriptor: | 1-(4-CHLOROPHENYL)-1H-TETRAZOLE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ... | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | Deposit date: | 2005-12-08 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem., 49, 2006
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6WT9
| Structure of STING-associated CdnE c-di-GMP synthase from Capnocytophaga granulosa | Descriptor: | NTP_transf_2 domain-containing protein | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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3BLX
| Yeast Isocitrate Dehydrogenase (Apo Form) | Descriptor: | Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2 | Authors: | Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L. | Deposit date: | 2007-12-11 | Release date: | 2008-02-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase. J.Biol.Chem., 283, 2008
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5NIK
| Structure of the MacAB-TolC ABC-type tripartite multidrug efflux pump | Descriptor: | Macrolide export ATP-binding/permease protein MacB, Macrolide export protein MacA, Outer membrane protein TolC | Authors: | Fitzpatrick, A.W.P, Llabres, S, Neuberger, A, Blaza, J.N, Bai, X.-C, Okada, U, Murakami, S, van Veen, H.W, Zachariae, U, Scheres, S.H.W, Luisi, B.F, Du, D. | Deposit date: | 2017-03-24 | Release date: | 2017-05-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the MacAB-TolC ABC-type tripartite multidrug efflux pump. Nat Microbiol, 2, 2017
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6SGW
| Structure of the ESX-3 core complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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5QJT
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z969560582 | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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4ZOS
| 2.20 Angstrom resolution crystal structure of protein YE0340 of unidentified function from Yersinia enterocolitica subsp. enterocolitica 8081] | Descriptor: | PHOSPHATE ION, protein YE0340 from Yersinia enterocolitica subsp. enterocolitica 8081 | Authors: | Halavaty, A.S, Wawrzak, A, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-06 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2.20 Angstrom resolution crystal structure of protein YE0340 of unidentified function from Yersinia enterocolitica subsp. enterocolitica 8081] To Be Published
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5KI5
| Structural impact of single ribonucleotides in DNA | Descriptor: | DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*CP*CP*TP*G)-3') | Authors: | Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W. | Deposit date: | 2016-06-16 | Release date: | 2016-08-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Impact of Single Ribonucleotide Residues in DNA. Chembiochem, 17, 2016
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6CDD
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5KIE
| Structural impact of single ribonucleotides in DNA | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*TP*CP*CP*AP*T)-3'), DNA/RNA (5'-D(*AP*TP*GP*GP*A)-R(P*G)-D(P*CP*TP*C)-3') | Authors: | Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W. | Deposit date: | 2016-06-16 | Release date: | 2016-08-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Impact of Single Ribonucleotide Residues in DNA. Chembiochem, 17, 2016
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7K71
| Crystal structure of PI3Kalpha inhibitor 4-0686 | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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4AR6
| X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution. | Descriptor: | FE (III) ION, RUBREDOXIN | Authors: | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | Deposit date: | 2012-04-20 | Release date: | 2012-12-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes Angew.Chem.Int.Ed.Engl., 52, 2013
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5KDP
| E491A mutant of choline TMA-lyase | Descriptor: | Choline trimethylamine-lyase, MALONATE ION, SODIUM ION | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase. Cell Chem Biol, 23, 2016
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6ZSE
| Human mitochondrial ribosome in complex with mRNA, A/P-tRNA and P/E-tRNA | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | Deposit date: | 2020-07-15 | Release date: | 2020-09-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Structural basis of mitochondrial translation. Elife, 9, 2020
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4GG2
| The crystal structure of glutamate-bound human gamma-glutamyltranspeptidase 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | West, M.B, Chen, Y, Wickham, S, Heroux, A, Cahill, K, Hanigan, M.H, Mooers, B.H.M. | Deposit date: | 2012-08-04 | Release date: | 2013-09-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Novel Insights into Eukaryotic gamma-Glutamyltranspeptidase 1 from the Crystal Structure of the Glutamate-bound Human Enzyme. J.Biol.Chem., 288, 2013
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