8TS9
 
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSC
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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6L8O
 | | Crystal structure of the K. lactis Rad5 (Hg-derivative) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA repair protein RAD5, MERCURY (II) ION | | Authors: | Shen, M, Xiang, S. | | Deposit date: | 2019-11-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
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6L8N
 | | Crystal structure of the K. lactis Rad5 | | Descriptor: | DNA repair protein RAD5, ZINC ION | | Authors: | Shen, M, Xiang, S. | | Deposit date: | 2019-11-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
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6L8R
 | | membrane-bound PD-L1-CD | | Descriptor: | Programmed cell death 1 ligand 1 | | Authors: | Maorong, W, Cao, Y, Bin, W, Bo, O. | | Deposit date: | 2019-11-07 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | PD-L1 degradation is regulated by electrostatic membrane association of its cytoplasmic domain.
Nat Commun, 12, 2021
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6J99
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7FH7
 | | Friedel-Crafts alkylation enzyme CylK mutant Y37F | | Descriptor: | 5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, H.Q, Wei, Z, Xiang, Z. | | Deposit date: | 2021-07-29 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
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7FH8
 | | Friedel-Crafts alkylation enzyme CylK mutant H391A | | Descriptor: | 2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, H.Q, Wei, Z, Xiang, Z. | | Deposit date: | 2021-07-29 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
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7FH6
 | | Friedel-Crafts alkylation enzyme CylK | | Descriptor: | CALCIUM ION, CHLORIDE ION, CylK, ... | | Authors: | Liu, L, Wang, H.Q, Xiang, Z. | | Deposit date: | 2021-07-29 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
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6JHO
 | | The complex crystal structure of Cagbeta with CagZ revealed a novel regulatory mechanism for T4SS coupling ATPase in Helicobacter pylori | | Descriptor: | Cag pathogenicity island protein (Cag5), Cag pathogenicity island protein (Cag6) | | Authors: | Wu, X, Zhao, Y, Sun, L, Ye, X, Jiang, M, Wang, Q, Wang, Q, Wu, Y. | | Deposit date: | 2019-02-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The complex crystal structure of Cagbeta with CagZ revealed a novel regulatory mechanism in VirD4 coupling ATPase
To Be Published
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8WKU
 | | Complex structure of MjHKU4r-CoV-1 spike RBD bound to human CD26 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form, MjHKU4r-CoV-1 spike RBD, ... | | Authors: | Zhao, Z.N, Chai, Y, Gao, F. | | Deposit date: | 2023-09-28 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Molecular basis for receptor recognition and broad host tropism for merbecovirus MjHKU4r-CoV-1.
Embo Rep., 25, 2024
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6LS4
 | | A novel anti-tumor agent S-40 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | Deposit date: | 2020-01-17 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
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8JVA
 | | Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ... | | Authors: | Liu, B, Liu, H.H, Han, P, Qi, J.X. | | Deposit date: | 2023-06-28 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain.
Signal Transduct Target Ther, 9, 2024
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8IFF
 | | Cryo-EM structure of Arabidopsis phytochrome A. | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A | | Authors: | Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P. | | Deposit date: | 2023-02-17 | | Release date: | 2023-08-02 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Plant phytochrome A in the Pr state assembles as an asymmetric dimer.
Cell Res., 33, 2023
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6K7O
 | | Complex structure of LILRB4 and h128-3 antibody | | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily B member 4, h128-3 Fab heavy chain, h128-3 Fab light chain | | Authors: | Song, H, Chai, Y, Xu, X, Gao, F.G. | | Deposit date: | 2019-06-08 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | Disrupting LILRB4/APOE Interaction by an Efficacious Humanized Antibody Reverses T-cell Suppression and Blocks AML Development.
Cancer Immunol Res, 7, 2019
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7D5I
 | | Structure of Mycobacterium smegmatis bd complex in the apo-form. | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome D ubiquinol oxidase subunit 1, HEME B/C, ... | | Authors: | Wang, W, Gong, H, Gao, Y, Zhou, X, Rao, Z. | | Deposit date: | 2020-09-26 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels.
Nat Commun, 12, 2021
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8IGA
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7E1V
 | | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-13 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
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7E1X
 | | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
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7E1W
 | | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
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8JRP
 | | Structure of E6AP-E6 complex in Att3 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
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8JRQ
 | | Structure of E6AP-E6 complex in Det1 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.15 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
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8JRO
 | | Structure of E6AP-E6 complex in Att2 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
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8JRR
 | | Structure of E6AP-E6 complex in Det2 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.35 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
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8JRN
 | | Structure of E6AP-E6 complex in Att1 state | | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
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