9EWO
 
 | | Mpro from SARS-CoV-2 with R4A R298A double mutations | | Descriptor: | Non-structural protein 11, SULFATE ION | | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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8W6D
 | | CryoEM structure of NaDC1 in apo state | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-28 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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9EYX
 | | Human PRMT5 in complex with AZ compound 28 | | Descriptor: | (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | | Authors: | Debreczeni, J. | | Deposit date: | 2024-04-09 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024
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8WCT
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8WTC
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8XJJ
 | | Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | | Authors: | Ren, X. | | Deposit date: | 2023-12-21 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers.
Mol.Cancer Ther., 2024
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8YLN
 | | The structure of DSR2-Tail tube complex | | Descriptor: | Bacillus phage SPR Tube protein, SIR2-like domain-containing protein | | Authors: | Zheng, J, Yang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
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8VI3
 | | TehA from Haemophilus influenzae purified in GDN | | Descriptor: | Tellurite resistance protein TehA homolog | | Authors: | Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2024-01-03 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy.
Int J Mol Sci, 25, 2024
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9EOJ
 | | Vertebrate microtubule-capping gamma-tubulin ring complex | | Descriptor: | Gamma-tubulin complex component, Gamma-tubulin complex component 3 homolog, Gamma-tubulin complex component 6, ... | | Authors: | Vermeulen, B.J.A, Pfeffer, S. | | Deposit date: | 2024-03-15 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (17 Å) | | Cite: | gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end.
Embo J., 43, 2024
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9F3Z
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8XE0
 | | O-methyltransferase from Lycoris longituba M52W variant complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde | | Descriptor: | MAGNESIUM ION, Protocatechuic aldehyde, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Saw, Y.Y.H, Nakashima, Y, Morita, H. | | Deposit date: | 2023-12-11 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024
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8WKO
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8X87
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8VR2
 | | Crystal structure of the Pcryo_0617 oxidoreductase/decarboxylase from Psychrobacter cryohalolentis K5 in the presence of NAD and UDP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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8VI2
 | | TehA from Haemophilus influenzae purified in DDM | | Descriptor: | Tellurite resistance protein TehA homolog | | Authors: | Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2024-01-03 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy.
Int J Mol Sci, 25, 2024
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9FXP
 | | Crystal structure of BRD4 BD1 with DI00626383. | | Descriptor: | 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Reinert, D. | | Deposit date: | 2024-07-02 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 67, 2024
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8WCQ
 | | Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 4 in intermediate state | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel | | Authors: | Bharambe, N, Li, Z, Basak, S. | | Deposit date: | 2023-09-13 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment.
Nat Commun, 15, 2024
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9EU6
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23j | | Descriptor: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
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9AUJ
 | | Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.486 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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8Z3S
 | | Activation mechanism and novel binding site of the BKCa channel activator CTIBD | | Descriptor: | 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Lee, N, Kim, S, Jo, H, Lee, N.Y, Jin, M.S, Park, C.S. | | Deposit date: | 2024-04-16 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Activation mechanism and novel binding site of the BKCa channel activator CTIBD
To Be Published
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8X2U
 | | Radial spoke head-neck dimer | | Descriptor: | DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ... | | Authors: | Meng, X, Cong, Y. | | Deposit date: | 2023-11-10 | | Release date: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
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8WY1
 | | The structure of cyclization domain in cyclic beta-1,2-glucan synthase from Thermoanaerobacter italicus | | Descriptor: | Glycosyltransferase 36 | | Authors: | Tanaka, N, Saito, R, Kobayashi, K, Nakai, H, Kamo, S, Kuramochi, K, Taguchi, H, Nakajima, M, Masaike, T. | | Deposit date: | 2023-10-30 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Functional and structural analysis of a cyclization domain in a cyclic beta-1,2-glucan synthase.
Appl.Microbiol.Biotechnol., 108, 2024
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8X3E
 | | CYP725A4-Taxa-4,11-diene complex | | Descriptor: | (1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene, PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase | | Authors: | Chang, Z, Wang, Q. | | Deposit date: | 2023-11-13 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses.
Acs Catalysis, 14, 2024
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8WNG
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile | | Descriptor: | ACETATE ION, GLYCEROL, ISOLEUCINE, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-05 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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9BAZ
 | | CryoEM structure of DIM2-HP1 complex | | Descriptor: | DNA (cytosine-5-)-methyltransferase, Heterochromatin protein one, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Song, J, Shao, Z. | | Deposit date: | 2024-04-05 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | CryoEM structure of DIM2-HP1 complex
To Be Published
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