5WRQ
 
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-03 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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5V9U
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | Deposit date: | 2017-03-23 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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5VA3
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5V2W
 | | Crystal structure of a LuxS from salmonella typhi | | Descriptor: | S-ribosylhomocysteine lyase, ZINC ION | | Authors: | Perumal, P, Raina, R, Manoj Kumar, P, Arockisamy, A, SundaraBaalaji, N. | | Deposit date: | 2017-03-06 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a LuxS from salmonella typhi
To Be Published
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8BPC
 | | Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom | | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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5WNW
 | | Chaperone Spy bound to Im7 6-45 ensemble | | Descriptor: | CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ... | | Authors: | Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A. | | Deposit date: | 2017-08-01 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
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5UKZ
 | | NMR Solution structure of chemically synthesized antilisterial Pediocin PA-1 M31L analog. | | Descriptor: | Bacteriocin pediocin PA-1 M31L | | Authors: | Bedard, F, Hammami, R, Zirah, S, Rebuffat, S, Fliss, I, Biron, E. | | Deposit date: | 2017-01-23 | | Release date: | 2018-06-27 | | Method: | SOLUTION NMR | | Cite: | Synthesis, antimicrobial activity and conformational analysis of the class IIa bacteriocin pediocin PA-1 and analogs thereof.
Sci Rep, 8, 2018
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5WW0
 | | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | | Descriptor: | SET domain-containing protein 7, SULFATE ION | | Authors: | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | | Deposit date: | 2016-12-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
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1KQX
 | | Crystal structure of apo-CRBP from zebrafish | | Descriptor: | Cellular retinol-binding protein | | Authors: | Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G. | | Deposit date: | 2002-01-08 | | Release date: | 2002-08-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein.
J.Mol.Biol., 321, 2002
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1KQW
 | | Crystal structure of holo-CRBP from zebrafish | | Descriptor: | Cellular retinol-binding protein, RETINOL | | Authors: | Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G. | | Deposit date: | 2002-01-08 | | Release date: | 2002-08-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein.
J.Mol.Biol., 321, 2002
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5ULW
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1KG2
 | | Crystal structure of the core fragment of MutY from E.coli at 1.2A resolution | | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-11-26 | | Release date: | 2002-11-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published
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8BS9
 | | Structure of USP36 in complex with Ubiquitin-PA | | Descriptor: | Polyubiquitin-B, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 36, ... | | Authors: | O'Dea, R, Gersch, M. | | Deposit date: | 2022-11-24 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
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1KG7
 | | Crystal Structure of the E161A mutant of E.coli MutY (core fragment) | | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-11-26 | | Release date: | 2002-11-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published
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1NUC
 | | STAPHYLOCOCCAL NUCLEASE, V23C VARIANT | | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | | Deposit date: | 1997-02-15 | | Release date: | 1997-06-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease.
Protein Sci., 5, 1996
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5WS1
 | | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | | Descriptor: | 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
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5WTC
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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8BS3
 | | Structure of USP36 in complex with Fubi-PA | | Descriptor: | 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ... | | Authors: | O'Dea, R, Gersch, M. | | Deposit date: | 2022-11-24 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
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8BNR
 | | Escherichia coli anaerobic fatty acid beta oxidation trifunctional enzyme (anEcTFE) octameric complex | | Descriptor: | 3-ketoacyl-CoA thiolase FadI, Fatty acid oxidation complex subunit alpha | | Authors: | Sah-Teli, S.K, Pinkas, M, Novacek, J, Venkatesan, R. | | Deposit date: | 2022-11-14 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (10.3 Å) | | Cite: | Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes.
Structure, 31, 2023
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5WG3
 | | Human GRK2 in complex with Gbetagamma subunits and CCG258748 | | Descriptor: | 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Bouley, R, Tesmer, J.J.G. | | Deposit date: | 2017-07-13 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.896 Å) | | Cite: | Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol. Pharmacol., 92, 2017
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5WZE
 | | The structure of Pseudomonas aeruginosa aminopeptidase PepP | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ... | | Authors: | Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J. | | Deposit date: | 2017-01-17 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa.
Front Microbiol, 8, 2017
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5URF
 | | The structure of human bocavirus 1 | | Descriptor: | viral protein 3 | | Authors: | Mietzsch, M, Kailasan, S, Garrison, J, Ilyas, M, Chipman, P, Kandola, K, Jansen, M, Spear, J, Sousa, D, McKenna, R, Soderlund-Venermo, M, Baker, T, Agbandje-McKenna, M. | | Deposit date: | 2017-02-10 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
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5X0K
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8BW5
 | | X-ray structure of the complex between human alpha thrombin and the duplex/quadruplex aptamer M08s-1_41mer | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, M08s-1_41mer, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Troisi, R, Napolitano, V, Sica, F. | | Deposit date: | 2022-12-06 | | Release date: | 2023-07-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Steric hindrance and structural flexibility shape the functional properties of a guanine-rich oligonucleotide.
Nucleic Acids Res., 51, 2023
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1KVP
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