7UE3
| PANK3 complex structure with compound PZ-3804 | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators. J.Med.Chem., 67, 2024
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6QNQ
| 70S ribosome initiation complex (IC) with experimentally assigned potassium ions | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Khusainov, I, Yusupov, M, Yusupova, G. | Deposit date: | 2019-02-11 | Release date: | 2019-06-19 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Importance of potassium ions for ribosome structure and function revealed by long-wavelength X-ray diffraction. Nat Commun, 10, 2019
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5NPU
| Inferred ancestral pyruvate decarboxylase | Descriptor: | ANC27, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | Deposit date: | 2017-04-19 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase. Acta Crystallogr F Struct Biol Commun, 74, 2018
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7UOS
| Structure of WNK1 inhibitor complex | Descriptor: | 1,2-ETHANEDIOL, 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline, Serine/threonine-protein kinase WNK1 | Authors: | Akella, R, Goldsmith, E.J, Akella, R. | Deposit date: | 2022-04-13 | Release date: | 2023-04-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of WNK1 inhibitor complex To Be Published
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8DYH
| IL17A homodimer bound to Compound 6 | Descriptor: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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5N01
| Crystal structure of the decarboxylase AibA/AibB C56N variant | Descriptor: | ACETATE ION, GLYCEROL, Glutaconate CoA-transferase family, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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8DYI
| IL17A homodimer bound to Compound 5 | Descriptor: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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5NRG
| The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with RB02 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M. | Deposit date: | 2017-04-23 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.442 Å) | Cite: | Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus. Nucleic Acids Res., 45, 2017
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6C5C
| Crystal structure of the 3-dehydroquinate synthase (DHQS) domain of Aro1 from Candida albicans SC5314 in complex with NADH | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate synthase, CHLORIDE ION, ... | Authors: | Michalska, K, Evdokimova, E, Di Leo, R, Stogios, P.J, Savchenko, A, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-01-16 | Release date: | 2018-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans. Life Sci Alliance, 5, 2022
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6N0A
| Structure of the major pilin protein (T-18.1) from Streptococcus pyogenes serotype MGAS8232 | Descriptor: | CALCIUM ION, Major pilin backbone protein T-antigen | Authors: | Young, P.G, Raynes, J.M, Loh, J.M, Proft, T, Baker, E.N, Moreland, N.J. | Deposit date: | 2018-11-06 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Group AStreptococcusT Antigens Have a Highly Conserved Structure Concealed under a Heterogeneous Surface That Has Implications for Vaccine Design. Infect.Immun., 87, 2019
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5N2L
| Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ... | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-07 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue To Be Published
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8KD0
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6C9J
| AMP-activated protein kinase bound to pharmacological activator R734 | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Brunzelle, J.S, Hitoshi, Y, Griffin, P.R, Xu, H.E, Melcher, K. | Deposit date: | 2018-01-26 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states. J. Biol. Chem., 294, 2019
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5N4G
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6BUW
| Thermus thermophilus 70S complex containing 16S G299A ram mutation and empty A site. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M. | Deposit date: | 2017-12-11 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Ribosomal ambiguity (ram) mutations promote the open (off) to closed (on) transition and thereby increase miscoding. Nucleic Acids Res., 47, 2019
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5JIQ
| Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2) | Descriptor: | GLYCEROL, SODIUM ION, Transthyretin, ... | Authors: | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | Deposit date: | 2016-04-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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7RSQ
| Cryo-EM structure of KIFBP core | Descriptor: | KIF-binding protein | Authors: | Solon, A.L, Tan, Z, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A. | Deposit date: | 2021-08-11 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding. Sci Adv, 7, 2021
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5JCS
| CRYO-EM STRUCTURE OF THE RIX1-REA1 PRE-60S PARTICLE | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Barrio-Garcia, C, Thoms, M, Flemming, D, Kater, L, Berninghausen, O, Bassler, J, Beckmann, R, Hurt, E. | Deposit date: | 2016-04-15 | Release date: | 2016-11-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Architecture of the Rix1-Rea1 checkpoint machinery during pre-60S-ribosome remodeling Nat.Struct.Mol.Biol., 23, 2016
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8V5E
| IpaD (122-321) Pi-helix Mutant (delta Q148) Bound to Deoxycholate | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, Invasin IpaD | Authors: | Barker, S.A, Dickenson, N.E, Johnson, S.J. | Deposit date: | 2023-11-30 | Release date: | 2024-08-21 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional characterization of the IpaD pi-helix reveals critical roles in DOC interaction, T3SS apparatus maturation, and Shigella virulence. J.Biol.Chem., 300, 2024
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7RX4
| Cryo-EM reconstruction of AS2 nanotube (Form II like) | Descriptor: | AS2 peptide | Authors: | Wang, F, Gnewou, O.M, Solemanifar, A, Xu, C, Egelman, E.H, Conticello, V.P. | Deposit date: | 2021-08-21 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM of Helical Polymers. Chem.Rev., 122, 2022
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5JIL
| Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase in complex with 4N-acetyl sialic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | Authors: | Bakkers, M.J.G, Feitsma, L.J, de Groot, R.J, Huizinga, E.G. | Deposit date: | 2016-04-22 | Release date: | 2016-05-11 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation. Proc.Natl.Acad.Sci.USA, 113, 2016
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7RX5
| Cryo-EM reconstruction of Form1-N2 nanotube (Form I like) | Descriptor: | F1-N2 nanotube | Authors: | Wang, F, Gnewou, O.M, Solemanifar, A, Xu, C, Egelman, E.H, Conticello, V.P. | Deposit date: | 2021-08-21 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM of Helical Polymers. Chem.Rev., 122, 2022
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7UUQ
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5JJ5
| Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to hydroxymate siderophore ferrioxamine E and iron(III) | Descriptor: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, ABC transporter substrate-binding protein-iron transport, CHLORIDE ION, ... | Authors: | Stogios, P.J, Wawrzak, Z, Kurdritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-04-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to hydroxymate siderophore ferrioxamine E and iron(III) To Be Published
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6MUO
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