7NHW
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3UZA
| Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine | Descriptor: | 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine, Adenosine receptor A2a | Authors: | Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Tehan, B, Zhukov, A, Weir, M, Marshall, F.H. | Deposit date: | 2011-12-07 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.273 Å) | Cite: | Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design J.Med.Chem., 55, 2012
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7NL8
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5UL9
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6QG9
| Crystal structure of Ideonella sakaiensis MHETase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. Nat Commun, 10, 2019
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6QIC
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6QJE
| Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2019-01-24 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole To Be Published
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6QK9
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7L4Z
| Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2, Spike protein S1 | Authors: | Christie, M, Mackay, J.P, Passioura, T, Payne, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.96 Å) | Cite: | Discovery of Cyclic Peptide Ligands to the SARS-CoV-2 Spike Protein Using mRNA Display. Acs Cent.Sci., 7, 2021
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6PT0
| Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | Descriptor: | CHOLESTEROL, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, T.H, Xing, C, Zhuang, Y, Feng, Z, Zhou, X.E, Chen, M, Wang, L, Meng, X, Xue, Y, Wang, J, Liu, H, McGuire, T, Zhao, G, Melcher, K, Zhang, C, Xu, H.E, Xie, X.Q. | Deposit date: | 2019-07-14 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex. Cell, 180, 2020
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6PZK
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2OK7
| Ferredoxin-NADP+ reductase from Plasmodium falciparum with 2'P-AMP | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, 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: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 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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5A6B
| GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with PUGNAc | Descriptor: | MAGNESIUM ION, N-ACETYL-BETA-D-GLUCOSAMINIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | Authors: | Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B. | Deposit date: | 2015-06-24 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans. J. Biol. Chem., 290, 2015
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5V2G
| De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-03 | Release date: | 2017-09-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6XVE
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3V3X
| Nitroxide Spin Labels in Protein GB1: N8/K28 Double Mutant | Descriptor: | ACETATE ION, GLYCEROL, Immunoglobulin G-binding protein G, ... | Authors: | Cunningham, T.F, McGoff, M.S, Sengupta, I, Jaroniec, C.P, Horne, W.S, Saxena, S.K. | Deposit date: | 2011-12-14 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structure of a protein spin-label in a solvent-exposed beta-sheet and comparison with DEER spectroscopy. Biochemistry, 51, 2012
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6CFJ
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with histidyl-CAM and bound to mRNA and A-, P-, and E-site tRNAs at 2.8A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S. | Deposit date: | 2018-02-15 | Release date: | 2018-03-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome. J. Mol. Biol., 430, 2018
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2OE2
| MSrecA-native-low humidity 95% | Descriptor: | PHOSPHATE ION, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-12-28 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
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6Q47
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1RCH
| SOLUTION NMR STRUCTURE OF RIBONUCLEASE HI FROM ESCHERICHIA COLI, 8 STRUCTURES | Descriptor: | RIBONUCLEASE HI | Authors: | Yamazaki, T, Fujiwara, M, Kato, T, Yamasaki, K, Nagayama, K. | Deposit date: | 1995-06-23 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of Ribonuclease Hi from Escherichia Coli Biol.Pharm.Bull., 23, 2000
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5UPX
| Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria Monocytogenes in the presence of Xanthosine Monophosphate | Descriptor: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Kim, Y, Makowska-Grzyska, M, Osipiuk, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-04 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria Monocytogenes in the presence of Xanthosine Monophosphate To Be Published
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2NWQ
| Short chain dehydrogenase from Pseudomonas aeruginosa | Descriptor: | Probable short-chain dehydrogenase, SULFATE ION | Authors: | McGrath, T.E, Kimber, M.S, Beattie, B, Thambipillai, D, Dharamsi, A, Virag, C, Nethery-Brokx, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2006-11-16 | Release date: | 2006-11-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Short chain dehydrogenase from Pseudomonas aeruginosa To be Published
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5OBJ
| Aurora A kinase in complex with 2-(3-fluorophenyl)quinoline-4-carboxylic acid and ATP | Descriptor: | 2-(3-fluorophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Rossmann, M, Janecek, M, Hyvonen, M. | Deposit date: | 2017-06-28 | Release date: | 2017-08-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction. Chem. Commun. (Camb.), 53, 2017
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6Q61
| Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | Descriptor: | Kunitz-type conkunitzin-S1, SULFATE ION | Authors: | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | Deposit date: | 2018-12-10 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Pore-modulating toxins exploit inherent slow inactivation to block K+channels. Proc.Natl.Acad.Sci.USA, 116, 2019
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5UXY
| The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid) | Descriptor: | ACETIC ACID, DegV family protein, SODIUM ION, ... | Authors: | Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-02-23 | Release date: | 2018-11-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
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