6CGI
 
 | | Structure of Salmonella Effector SseK3 | | Descriptor: | Type III secretion system effector protein, URIDINE-5'-DIPHOSPHATE | | Authors: | Chung, I.Y.W, Cygler, M. | | Deposit date: | 2018-02-20 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Salmonella Effectors SseK1 and SseK3 Target Death Domain Proteins in the TNF and TRAIL Signaling Pathways.
Mol.Cell Proteomics, 18, 2019
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6FJY
 | | Crystal structure of CsuC-CsuE chaperone-tip adhesion subunit pre-assembly complex from archaic chaperone-usher Csu pili of Acinetobacter baumannii | | Descriptor: | CsuC, Protein CsuE | | Authors: | Pakharukova, N.A, Tuitilla, M, Paavilainen, S, Zavialov, A.V. | | Deposit date: | 2018-01-23 | | Release date: | 2018-05-16 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural basis forAcinetobacter baumanniibiofilm formation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3RTK
 | | Crystal structure of Cpn60.2 from Mycobacterium tuberculosis at 2.8A | | Descriptor: | 60 kDa chaperonin 2, MAGNESIUM ION | | Authors: | Shahar, A, Melamed-Frank, M, Kashi, Y, Adir, N. | | Deposit date: | 2011-05-03 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The dimeric structure of the Cpn60.2 chaperonin of Mycobacterium tuberculosis at 2.8 A reveals possible modes of function.
J.Mol.Biol., 412, 2011
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6Q7S
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, PHENOL, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6Q83
 | | Crystal structure of the biportin Pdr6 in complex with UBC9 | | Descriptor: | Importin beta-like protein KAP122, UBC9 | | Authors: | Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.53 Å) | | Cite: | Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
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2OK8
 | | Ferredoxin-NADP+ reductase from Plasmodium falciparum | | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase | | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2007-01-16 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis.
J.Mol.Biol., 367, 2007
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6CQ6
 | | K2P2.1(TREK-1) apo structure | | Descriptor: | CADMIUM ION, DECANE, POTASSIUM ION, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2018-03-14 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
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7MX8
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2NZD
 | | Nucleosome core particle containing 145 bp of DNA | | Descriptor: | DNA (145-MER), Histone H2B, Histone H3, ... | | Authors: | Ong, M.S, Richmond, T.J, Davey, C.A. | | Deposit date: | 2006-11-23 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | DNA stretching and extreme kinking in the nucleosome core
J.Mol.Biol., 368, 2007
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6CQG
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5V31
 | | Ethylene forming enzyme in complex with manganese and L-arginine | | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, MANGANESE (II) ION | | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2017-03-06 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
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3RDS
 | | Crystal structure of the refolded R7-2 streptavidin | | Descriptor: | PENTAETHYLENE GLYCOL, Streptavidin | | Authors: | Malashkevich, V.N, Magalhaes, M, Czecster, C.M, Guan, R, Levy, M, Almo, S.C. | | Deposit date: | 2011-04-01 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding.
Protein Sci., 20, 2011
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6Q7T
 | | ERK2 mini-fragment binding | | Descriptor: | 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6CRN
 | | Structure of the USP15 deubiquitinase domain in complex with a high-affinity first-generation Ubv | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 15, Ubiquitin variant 15.2, ZINC ION | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-03-19 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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5V44
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3UXM
 | | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | | Descriptor: | 5'-deoxy-5'-fluorothymidine, MAGNESIUM ION, Thymidylate kinase | | Authors: | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | | Deposit date: | 2011-12-05 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
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7N2G
 | | MicroED structure of human CPEB3 segment(154-161) kinked polymorph phased by ARCIMBOLDO-BORGES | | Descriptor: | CPEB3 | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.201 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2J
 | | MicroED structure of a mutant mammalian prion segment phased by ARCIMBOLDO-BORGES | | Descriptor: | prion protein | | Authors: | Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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6CJO
 | | Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | | Descriptor: | Chalcone--flavonone isomerase 1, SULFATE ION | | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | | Deposit date: | 2018-02-26 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
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7N2K
 | | MicroED structure of sequence variant of repeat segment of the yeast prion New1p phased by ARCIMBOLDO-BORGES | | Descriptor: | prion New1p | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.301 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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6QBO
 | | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A | | Descriptor: | Cell wall assembly regulator SMI1 | | Authors: | Ramos, N, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | | Deposit date: | 2018-12-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
To Be Published
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3CI1
 | | Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)alamin and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | | Authors: | Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2008-03-10 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
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6QBU
 | | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC188 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chymotrypsin-like elastase family member 1, PHOSPHATE ION, ... | | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | | Deposit date: | 2018-12-21 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
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7N2L
 | | MicroED structure of a mutant mammalian prion segment | | Descriptor: | prion protein | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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6QAH
 | | ERK2 mini-fragment binding | | Descriptor: | 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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