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 | Last modified: | 2024-10-09 | 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 | Last modified: | 2024-10-09 | 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 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 25, 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 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 25, 2024
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8Z0K
| Cryo-EM structure of Cas8-HNH system at full R-loop state | Descriptor: | DNA (37-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ... | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-04-09 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 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: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 632, 2024
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8Z2N
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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 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Activation mechanism and novel binding sites of the BK Ca channel activator CTIBD. Life Sci Alliance, 7, 2024
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8Z4R
| The crystal structure of a Hydroquinone Dioxygenase PaD with substrate | Descriptor: | 2-methoxy-6-methyl-benzene-1,4-diol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, Z.W, Huang, J.-W, Wang, Y.X, Chen, C.-C, Guo, R.-T. | Deposit date: | 2024-04-17 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs. Nat Commun, 15, 2024
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8Z4S
| The crystal structure of a Hydroquinone Dioxygenase PaD with nonnatural substrate S6 | Descriptor: | 2,3,5-trimethylbenzene-1,4-diol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, Z.W, Huang, J.-W, Wang, Y.X, Chen, C.-C, Guo, R.-T. | Deposit date: | 2024-04-17 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs. Nat Commun, 15, 2024
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8Z5G
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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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8Z9X
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8ZB8
| Crystal structure of T2R-TTL-DPP21 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ... | Authors: | Wu, C.Y, Chen, J.J. | Deposit date: | 2024-04-26 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal structure of T2R-TTL-DPP21 complex To Be Published
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8ZC3
| SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.69 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZDY
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8ZEM
| Crystal Structure of NLRP3 NACHT domain in complex with NP3-1 | Descriptor: | 1-[5-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1~{H}-inden-4-yl]-3-[4-(2-oxidanylpropan-2-yl)thiophen-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | Authors: | Shi, C, Liu, Z.M. | Deposit date: | 2024-05-06 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Deep-Learning-Driven Discovery of SN3-1, a Potent NLRP3 Inhibitor with Therapeutic Potential for Inflammatory Diseases. J.Med.Chem., 2024
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8ZFK
| Caenorhabditis elegans ACR-23 in betaine and monepantel bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betaine receptor acr-23,Soluble cytochrome b562, ... | Authors: | Chen, Q.F, Liu, F.L, Li, T.Y, Gong, H.H, Guo, F, Liu, S. | Deposit date: | 2024-05-08 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Structural basis of acetylcholine receptor like-23 (ACR-23) activation by anthelmintics monepantel and betaine To Be Published
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8ZFW
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8ZH4
| HIV-1 integrase core domain in complex with compound 5 | Descriptor: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | Authors: | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-10 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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8ZHA
| HIV-1 integrase core domain in complex with compound 15 | Descriptor: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | Authors: | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-10 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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