8YLC
| The crystal structure of PDE4D with Amentoflavone | Descriptor: | 3',5'-cyclic-AMP phosphodiesterase 4D, 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, Luo, H.-B. | Deposit date: | 2024-03-06 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.30003722879 Å) | Cite: | Discovery of amentoflavone as a natural PDE4 inhibitor with anti-fibrotic effects Chin.Chem.Lett., 2024
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8YM7
| Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45 | Descriptor: | 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X. | Deposit date: | 2024-03-08 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease To Be Published
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8YOO
| Cryo-EM structure of the human 80S ribosome with 100 um Tigecycline | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Li, X, Wang, M, Denk, T, Cheng, J. | Deposit date: | 2024-03-13 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline. Nat Commun, 15, 2024
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8YOP
| Cryo-EM structure of the human 80S ribosome with 4 um Tigecycline | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Li, X, Wang, M, Denk, T, Cheng, J. | Deposit date: | 2024-03-13 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline. Nat Commun, 15, 2024
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8YPK
| mouse proteasome 20S subunit in complex with compound 1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-17 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.7 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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8YQP
| Crystal structure of HylD1 in complex with MEP | Descriptor: | 2-ethoxycarbonylbenzoic acid, Lipase | Authors: | Wang, N, Li, C.Y. | Deposit date: | 2024-03-19 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular insights into the catalytic mechanism of a phthalate ester hydrolase. J Hazard Mater, 476, 2024
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8YR2
| Structure of NET-Nisoxetine in outward-open state | Descriptor: | CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8YRF
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8YRG
| CryoEM structure of fospropofol-bound MRGPRX4-Gq complex | Descriptor: | Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Cao, C, Fay, J.F, Roth, B.L. | Deposit date: | 2024-03-21 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model. Sci Transl Med, 16, 2024
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8YRO
| SARS-CoV-2 Delta Spike in complex with JL-8C | Descriptor: | JL-8C Heavy Chain, JL-8C Light Chain, Spike glycoprotein | Authors: | Nguyen, V.H.T, Chen, X. | Deposit date: | 2024-03-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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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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8YTO
| Single-chain Fv antibody of E11 complex with NP-glycine | Descriptor: | 2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Yoshida, M, Hanazono, Y, Numoto, N, Ito, N, Oda, M. | Deposit date: | 2024-03-26 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Affinity-matured antibody with a disulfide bond in H-CDR3 loop. Arch.Biochem.Biophys., 758, 2024
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8YTP
| Single-chain Fv antibody of E11 complex with NP-glycine under reducing conditions | Descriptor: | 2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid, Single-chain Fv antibody of E11 | Authors: | Yoshida, M, Hanazono, Y, Numoto, N, Ito, N, Oda, M. | Deposit date: | 2024-03-26 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Affinity-matured antibody with a disulfide bond in H-CDR3 loop. Arch.Biochem.Biophys., 758, 2024
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8YTX
| Tubulin-RB3-TTL in complex with compound SI9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-26 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Tubulin-RB3-TTL in complex with compound SI9 To Be Published
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8YU9
| Tubulin-RB3-TTL in complex with compound SI10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The crystal structure of tubulin-RB3-TTL in complex with compound AB10 To Be Published
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8YUA
| Tubulin-RB3-TTL in complex with compound SI10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The complex structure of tubulin-RB3-TTL in complex with compound SI10 To Be Published
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8YUT
| Cryo-EM structure of the amthamine-bound H2R-Gs complex | Descriptor: | 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
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8YUV
| Cryo-EM structure of the immepip-bound H3R-Gi complex | Descriptor: | 4-(1H-imidazol-5-ylmethyl)piperidine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
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8YVG
| canine immunoproteasome 20S subunit in complex with compound 1 | Descriptor: | Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-28 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (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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8YVP
| canine immunoproteasome 20S subunit in complex with compound 1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-29 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.5 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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8YYQ
| Structure of the HitB F328L mutant | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2024-04-04 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 2024
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8YYR
| Structure of the HitB T293G mutant | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2024-04-04 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 2024
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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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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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8Z5L
| Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor | Descriptor: | 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Kamo, T, Kuroda, K, Nimura, S, Guo, Y, Kondo, S, Nukaga, M, Hoshino, T. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Development of Inhibitory Compounds for Metallo-beta-lactamase through Computational Design and Crystallographic Analysis. Biochemistry, 63, 2024
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