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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
8KD0
 | |
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
|
|
5N4G
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
7UUQ
 | |
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
|
|
6MUO
 | |
