9EML
 
 | | SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | | Deposit date: | 2024-03-08 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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9FTG
 | | Closed conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10 mM Ca2+ | | Descriptor: | CALCIUM ION, Neurotransmitter-gated ion-channel ligand-binding domain-containing protein | | Authors: | Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E. | | Deposit date: | 2024-06-24 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural characterization of pH-modulated closed and open states
in a pentameric ligand-gated ion channel
To Be Published
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9BBM
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9EMJ
 | | SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog) | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | | Deposit date: | 2024-03-08 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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9B1Z
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8ZLH
 | | The crystal structure of CcmS. | | Descriptor: | All1292 protein | | Authors: | Cheng, J, Li, C.L. | | Deposit date: | 2024-05-20 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Molecular interactions of the chaperone CcmS and carboxysome shell protein CcmK1 that mediate beta-carboxysome assembly.
Plant Physiol., 2024
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8ZMG
 | | Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A | | Descriptor: | 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, Pimavanserin | | Authors: | Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K. | | Deposit date: | 2024-05-23 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
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9B20
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9JA0
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9ENZ
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9B22
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8Y2D
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9J8F
 | | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Bifunctional ligase/repressor BirA, PENTAETHYLENE GLYCOL | | Authors: | Lee, J.Y, Jeong, K.H, Son, S.B, Ko, J.H. | | Deposit date: | 2024-08-21 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor.
Biochem.Biophys.Res.Commun., 733, 2024
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4V7K
 | | Structure of RelE nuclease bound to the 70S ribosome (postcleavage state) | | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | | Authors: | Neubauer, C, Gao, Y.-G, Andersen, K.R, Dunham, C.M, Kelley, A.C, Hentschel, J, Gerdes, K, Ramakrishnan, V, Brodersen, D.E. | | Deposit date: | 2009-11-02 | | Release date: | 2014-07-09 | | Last modified: | 2014-12-10 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The structural basis for mRNA recognition and cleavage by the ribosome-dependent endonuclease RelE.
Cell(Cambridge,Mass.), 139, 2009
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9F48
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8XVD
 | | CryoEM structure of ADP-DNA-MuB conformation2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent target DNA activator B | | Authors: | Zhao, X, Zhang, K, Li, S. | | Deposit date: | 2024-01-14 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Elucidating the Architectural dynamics of MuB filaments in bacteriophage Mu DNA transposition.
Nat Commun, 15, 2024
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8YF7
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9BHR
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-21 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
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4V6Z
 | | E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in classic pre-translocation state (pre1b) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | | Deposit date: | 2013-10-14 | | Release date: | 2014-07-09 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
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9AVK
 | | Structure of long Rib domain from Limosilactobacillus reuteri | | Descriptor: | SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein | | Authors: | Xue, Y, Kang, X. | | Deposit date: | 2024-03-04 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
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9AX6
 | | Tricomplex of RMC-6236, KRAS G12D, and CypA | | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-03-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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9F4J
 | | UP1 in complex with Z416341642 | | Descriptor: | (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8XTF
 | | Crystal structure of methyltransferase MpaG' in complex with SAH and FDHMP-3C | | Descriptor: | 4-farnesyl-3,5-dihydroxy-6-methylphthalide-3C, O-methyltransferase mpaG', S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | You, C, Pan, Y.J, Li, S.Y, Feng, Y.G. | | Deposit date: | 2024-01-10 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural basis for substrate flexibility of the O-methyltransferase MpaG' involved in mycophenolic acid biosynthesis.
Protein Sci., 33, 2024
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9G2W
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9F4Q
 | | UP1 in complex with Z641239276 | | Descriptor: | 5-(2-phenylethylamino)pyrimidine-2,4-diol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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