5N6V
 
 | | Crystal structure of Neisseria polysaccharea amylosucrase mutant derived from Neutral genetic Drift-based engineering | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amylosucrase, ... | | Authors: | Daude, D, Verges, A, Tranier, S. | | Deposit date: | 2017-02-16 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Neutral Genetic Drift-Based Engineering of a Sucrose-Utilizing Enzyme toward Glycodiversification.
Acs Catalysis, 2019
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5NP0
 | | Closed dimer of human ATM (Ataxia telangiectasia mutated) | | Descriptor: | Serine-protein kinase ATM | | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | | Deposit date: | 2017-04-13 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
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5TIF
 | | x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid | | Descriptor: | Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID) | | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | | Deposit date: | 2016-10-02 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
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5NA4
 | | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878 | | Authors: | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | | Deposit date: | 2017-02-27 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
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5NX7
 | | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2-fluorogeranyl diphosphate | | Descriptor: | (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ... | | Authors: | Karuppiah, V, Leys, D, Scrutton, N.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
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5NX4
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5NXD
 | | LIM Domain Kinase 2 (LIMK2) In Complex With TH-300 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide, LIM domain kinase 2 | | Authors: | Mathea, S, Salah, E, Hanke, T, Newman, J.A, Oerum, S, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Knapp, S. | | Deposit date: | 2017-05-10 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | LIM Domain Kinase 2 (LIMK2)In Complex With TH-300
To Be Published
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5T00
 | | Human CTCF ZnF3-7 and methylated DNA complex | | Descriptor: | DNA (5'-GCCAGCAGGGGG(5CM)GCTA-3'), DNA (5'-TAG(5CM)GCCCCCTGCTGGC-3'), Transcriptional repressor CTCF, ... | | Authors: | Hashimoto, H, Wang, D, Cheng, X. | | Deposit date: | 2016-08-15 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
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5O61
 | | The complete structure of the Mycobacterium smegmatis 70S ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Hentschel, J, Burnside, C, Mignot, I, Leibundgut, M, Boehringer, D, Ban, N. | | Deposit date: | 2017-06-03 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | The Complete Structure of the Mycobacterium smegmatis 70S Ribosome.
Cell Rep, 20, 2017
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5OC6
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5SY5
 | | Crystal Structure of the Heterodimeric NPAS1-ARNT Complex | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Neuronal PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F. | | Deposit date: | 2016-08-10 | | Release date: | 2016-11-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors.
Elife, 5, 2016
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5SZS
 | | Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Walls, A.C, Tortorici, M.A, Frenz, B, Snijder, J, Li, W, Rey, F.A, DiMaio, F, Bosch, B.J, Veesler, D. | | Deposit date: | 2016-08-15 | | Release date: | 2016-09-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy.
Nat.Struct.Mol.Biol., 23, 2016
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5O71
 | | Crystal structure of human USP25 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 25 | | Authors: | Reverter, D, Liu, B. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.283 Å) | | Cite: | A quaternary tetramer assembly inhibits the deubiquitinating activity of USP25.
Nat Commun, 9, 2018
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5T4D
 | | Cryo-EM structure of Polycystic Kidney Disease protein 2 (PKD2), residues 198-703 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hPKD:198-703, Polycystin-2 | | Authors: | Shen, P.S, Yang, X, DeCaen, P.G, Liu, X, Bulkley, D, Clapham, D.E, Cao, E. | | Deposit date: | 2016-08-29 | | Release date: | 2016-11-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The Structure of the Polycystic Kidney Disease Channel PKD2 in Lipid Nanodiscs.
Cell, 167, 2016
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5UI1
 | | Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor | | Descriptor: | 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | | Authors: | Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structure Human PP5C in Complex with an Inhibitor
To Be Published
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5U29
 | | Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(acetylsulfamoyl)adenosine, Acetyl-coenzyme A synthetase, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Edwards, T.E, Potts, K.T, Taylor, B.M. | | Deposit date: | 2016-11-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS
To Be Published
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5TYR
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2016-11-21 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency.
Elife, 6, 2017
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5U8T
 | | Structure of Eukaryotic CMG Helicase at a Replication Fork and Implications | | Descriptor: | Cell division control protein 45, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA replication complex GINS protein PSF1, ... | | Authors: | Li, B, Georgescu, R, Yuan, Z, Santos, R, Sun, J, Zhang, D, Yurieva, O, Li, H, O'Donnell, M.E. | | Deposit date: | 2016-12-15 | | Release date: | 2017-02-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UBD
 | | Crystal structure of the N-terminal domain (domain 1) of RctB, RctB-1-124-L48M | | Descriptor: | RctB replication initiator protein | | Authors: | Orlova, N, Ivashkiv, O, Waldor, M.K, Jeruzalmi, D. | | Deposit date: | 2016-12-20 | | Release date: | 2017-01-11 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | The replication initiator of the cholera pathogen's second chromosome shows structural similarity to plasmid initiators.
Nucleic Acids Res., 45, 2017
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5TPJ
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5TSA
 | | Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Zn2+ | | Descriptor: | CADMIUM ION, Membrane protein, ZINC ION | | Authors: | Zhang, T, Fellner, M, Sui, D, Liu, J, Hu, J. | | Deposit date: | 2016-10-28 | | Release date: | 2017-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of a ZIP zinc transporter reveal a binuclear metal center in the transport pathway.
Sci Adv, 3, 2017
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5TTH
 | | Heterodimeric SpyCatcher/SpyTag-fused zebrafish TRAP1 in ATP/ADP-hybrid state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, C-terminal SpyCatcher fusion of wildtype zebrafish TNF receptor-associated protein 1, ... | | Authors: | Elnatan, D, Betegon, M, Liu, Y, Agard, D.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2016-11-03 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1.
Elife, 6, 2017
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5TVX
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5TYS
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-142 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2016-11-21 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.007 Å) | | Cite: | A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency.
Elife, 6, 2017
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5U9R
 | | Ocellatin-LB2, solution structure in TFE by NMR spectroscopy | | Descriptor: | Ocellatin-LB2 | | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, Verly, R.M, de Lima, M.E, Resende, J.M. | | Deposit date: | 2016-12-18 | | Release date: | 2017-03-29 | | Last modified: | 2018-04-18 | | Method: | SOLUTION NMR | | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus.
Peptides, 103, 2018
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