6US3
| MTH1 in complex with compound 4 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | Authors: | Newby, Z.E.R, Lansdon, E.B. | Deposit date: | 2019-10-24 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47028923 Å) | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6C1H
| High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | Deposit date: | 2018-01-04 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6UVP
| BACE-1 in complex with compound #3 | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ... | Authors: | Hendle, J, Timm, D.E. | Deposit date: | 2019-11-04 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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5MRK
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6C29
| Crystal structure of the N-terminal periplasmic domain of ScsB from Proteus mirabilis | Descriptor: | Putative metal resistance protein | Authors: | Furlong, E.J, Choudhury, H.G, Kurth, F, Martin, J.L. | Deposit date: | 2018-01-07 | Release date: | 2018-03-07 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.538 Å) | Cite: | Disulfide isomerase activity of the dynamic, trimericProteus mirabilisScsC protein is primed by the tandem immunoglobulin-fold domain of ScsB. J. Biol. Chem., 293, 2018
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6IOL
| Cryo-EM structure of multidrug efflux pump MexAB-OprM (60 degree state) | Descriptor: | Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM | Authors: | Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E. | Deposit date: | 2018-10-30 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism. Nat Commun, 10, 2019
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5K30
| Crystal structure of methionine gamma-lyase from Citrobacter freundii modified by S-Ethyl-L-cysteine sulfoxide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, ... | Authors: | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Demidkina, T.V. | Deposit date: | 2016-05-19 | Release date: | 2017-07-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Sulfoxides of sulfur-containing amino acids are suicide substrates of Citrobacter freundii methionine gamma-lyase. Structural bases of the enzyme inactivation. Biochimie, 168, 2020
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5K3B
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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6UX8
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8EDC
| Structure of C. elegans UNC-5 IG 1+2 Domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Netrin receptor unc-5, SULFATE ION | Authors: | Priest, J.M, Ozkan, E. | Deposit date: | 2022-09-04 | Release date: | 2023-01-11 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structural insights into the formation of repulsive netrin guidance complexes. Sci Adv, 10, 2024
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8JPD
| Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes | Descriptor: | Beta-adrenergic receptor kinase 1, STAUROSPORINE | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | Deposit date: | 2023-06-11 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist. Nature, 620, 2023
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8DMF
| Cryo-EM structure of the ribosome-bound Bacteroides thetaiotaomicron EF-G2 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tetracycline resistance protein TetQ | Authors: | Wang, C, Han, W, Groisman, E.A, Liu, J. | Deposit date: | 2022-07-08 | Release date: | 2023-01-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Gut colonization by Bacteroides requires translation by an EF-G paralog lacking GTPase activity. Embo J., 2022
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6I9K
| Crystal structure of Jumping Spider Rhodopsin-1 bound to 9-cis retinal | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kumopsin1, RETINAL | Authors: | Varma, N, Mutt, E, Muehle, J, Panneels, V, Terakita, A, Deupi, X, Nogly, P, Schertler, F.X.G, Lesca, E. | Deposit date: | 2018-11-23 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.145 Å) | Cite: | Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR. Proc.Natl.Acad.Sci.USA, 116, 2019
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8JPF
| Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1 | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | Deposit date: | 2023-06-11 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist. Nature, 620, 2023
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6SBP
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5K65
| Crystal structure of VEGF binding IgG1-Fc (Fcab CT6) | Descriptor: | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Humm, A, Lobner, E, Kitzmuller, M, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | Deposit date: | 2016-05-24 | Release date: | 2017-09-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex. MAbs, 9, 2017
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5MSA
| Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of human carbonic anhydrase
isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
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6SID
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5K1N
| Human TTR altered by a rhenium tris-carbonyl Pyta-C12 derivative | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stura, E.A, Ciccone, L, Shepard, W. | Deposit date: | 2016-05-18 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Human TTR conformation altered by rhenium tris-carbonyl derivatives. J.Struct.Biol., 195, 2016
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5MTE
| Crystal structure of PDF from the Vibrio parahaemolyticus bacteriophage VP16T in complex with actinonin - crystal form II | Descriptor: | ACTINONIN, NICKEL (II) ION, Putative uncharacterized protein orf60T, ... | Authors: | Fieulaine, S, Grzela, R, Giglione, C, Meinnel, T. | Deposit date: | 2017-01-09 | Release date: | 2017-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Peptide deformylases from Vibrio parahaemolyticus phage and bacteria display similar deformylase activity and inhibitor binding clefts. Biochim. Biophys. Acta, 1866, 2018
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6M7L
| Complex of OxyA with the X-domain from GPA biosynthesis | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase | Authors: | Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J. | Deposit date: | 2018-08-20 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.648297 Å) | Cite: | Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics. Nat Commun, 10, 2019
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6LPJ
| A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | Deposit date: | 2020-01-10 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography. Sci Rep, 10, 2020
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6SJD
| ZC3H12B-ribonuclease domain bound to RNA | Descriptor: | CACODYLATE ION, MAGNESIUM ION, Probable ribonuclease ZC3H12B, ... | Authors: | Morgunova, E, Bourenkov, G, Taipale, J. | Deposit date: | 2019-08-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Binding specificities of human RNA-binding proteins toward structured and linear RNA sequences. Genome Res., 30, 2020
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6SD3
| 34mer structure of the Salmonella flagella MS-ring protein FliF | Descriptor: | Flagellar M-ring protein | Authors: | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | Deposit date: | 2019-07-26 | Release date: | 2020-03-18 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation. Nat Microbiol, 5, 2020
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6I4R
| Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | Authors: | Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2018-11-10 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.439 Å) | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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