8YSX
 
 | | canine immunoproteasome 20S subunit in complex with compound 2 | | Descriptor: | Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... | | Authors: | Kashima, A, Arai, Y. | | Deposit date: | 2024-03-24 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor.
Bioorg.Med.Chem., 109, 2024
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8VJR
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8XI9
 | | Crystal structure of FRB-FKBP fusion protein in complex with rapamycin | | Descriptor: | FRB-FKBP fusion protein, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Inobe, T, Sakaguchi, R, Obita, T, Mukaiyama, A, Yokoyama, T, Mizuguchi, M, Akiyama, S. | | Deposit date: | 2023-12-19 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insights into rapamycin-induced oligomerization of a FRB-FKBP fusion protein.
Febs Lett., 2024
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8Y0W
 | | dormant ribosome with eIF5A, eEF2 and SERBP1 | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | | Authors: | Du, M, Zeng, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Implication of Stm1 in the protection of eIF5A, eEF2 and tRNA through dormant ribosomes.
Front Mol Biosci, 11, 2024
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9BFY
 | | Tri-complex of Compound-12, KRAS G12C, and CypA | | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
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9CK3
 | | Cryo-EM structure of in-vitro alpha-synuclein fibril | | Descriptor: | Alpha-synuclein | | Authors: | Sanchez, J.C, Borcik, C.G, Tonelli, M, Sibert, B, Rienstra, C.M, Wright, E.R. | | Deposit date: | 2024-07-08 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.04 Å) | | Cite: | Multimodal High-Resolution Structure Determination Of Alpha-Synuclein Fibrils
To Be Published
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8WBK
 | | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] | | Descriptor: | Epoxide hydrolase, SULFATE ION | | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | | Deposit date: | 2023-09-10 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
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8W3W
 | | Crystal structure of IRAK4 in complex with compound 4 | | Descriptor: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Knafels, J.D. | | Deposit date: | 2024-02-22 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.976 Å) | | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833).
Acs Med.Chem.Lett., 15, 2024
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9BG1
 | | Tri-complex of Compound-3, KRAS G12V, and CypA | | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]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]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
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8WZP
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | Authors: | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8VCN
 | | GluER mutant - W66F F269Y Q293T F68Y T36E P263L | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Jeffrey, P.D, Sorigue, D.R, Liu, Y, Hyster, T.K. | | Deposit date: | 2023-12-14 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins.
J.Am.Chem.Soc., 146, 2024
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8X2R
 | | The Crystal Structure of HSP 90-alpha from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-alpha | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | | Deposit date: | 2023-11-10 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Crystal Structure of HSP 90-alpha from Biortus.
To Be Published
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9EUE
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23a | | Descriptor: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-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 (2 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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8VI4
 | | TehA from Haemophilus influenzae purified in LMNG | | 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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9AT6
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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9F1T
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8WFI
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8X1W
 | | CYP725A4 apo structure | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase | | Authors: | Chang, Z, Wang, Q. | | Deposit date: | 2023-11-09 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses.
Acs Catalysis, 14, 2024
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8VGC
 | | Complex of ExbD with D-box peptide: Orthorhombic form | | Descriptor: | Biopolymer transport protein ExbD, GLN-PRO-ILE-SER-VAL-THR-MET-VAL-THR-PRO | | Authors: | Loll, P.J. | | Deposit date: | 2023-12-27 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery and structural characterization of the D-box, a conserved TonB motif that couples an inner-membrane motor to outer-membrane transport.
J.Biol.Chem., 300, 2024
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8VTK
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8X35
 | | Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form A) | | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S. | | Deposit date: | 2023-11-12 | | Release date: | 2024-02-07 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
Chembiochem, 25, 2024
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9ATJ
 | | Crystal structure of MERS 3CL protease in complex with a m-chlorobenzyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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8X2S
 | | The Crystal Structure of BPGM from Biortus | | Descriptor: | 1,2-ETHANEDIOL, Bisphosphoglycerate mutase | | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | | Deposit date: | 2023-11-10 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal Structure of BPGM from Biortus
To Be Published
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8Z1L
 | | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant atomoxetine in an outward-open state at resolution of 3.4 angstrom. | | Descriptor: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2024-04-11 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 2024
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8XXQ
 | | Structural of methylmalonate semialdehyde dehydrogenase ALDH6A1 | | Descriptor: | Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial | | Authors: | Su, G, Xu, Y, Luan, X. | | Deposit date: | 2024-01-18 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structural and biochemical basis of methylmalonate semialdehyde dehydrogenase ALDH6A1
Medicine Plus, 1, 2024
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