5YQL
| Crystal structure of Sirt2 in complex with selective inhibitor A2I | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQM
| Crystal structure of Sirt2 in complex with selective inhibitor A29 | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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4LVD
| Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4OEW
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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4OEX
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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8I91
| ACE2-SIT1 complex bound with proline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | Deposit date: | 2023-02-06 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1. Cell Discov, 9, 2023
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8I93
| ACE2-B0AT1 complex bound with methionine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | Deposit date: | 2023-02-06 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1. Cell Discov, 9, 2023
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8I92
| ACE2-B0AT1 complex bound with glutamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | Deposit date: | 2023-02-06 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1. Cell Discov, 9, 2023
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8HT7
| The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex | Descriptor: | DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), GLN-ALA-GLN-ALA-THR-ILE-SER-PHE-PRO-LYS-ARG-LYS-LEU-SER-TRP | Authors: | Liu, C, Zhu, G, Geng, Y, Xu, N. | Deposit date: | 2022-12-20 | Release date: | 2023-12-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex. Int.J.Biol.Macromol., 260, 2024
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4EJS
| Structure of yeast elongator subcomplex Elp456 | Descriptor: | Elongator complex protein 4, Elongator complex protein 5, Elongator complex protein 6 | Authors: | Lin, Z, Zhao, W, Long, J, Shen, Y. | Deposit date: | 2012-04-07 | Release date: | 2012-05-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Crystal structure of elongator subcomplex Elp4-6 J.Biol.Chem., 287, 2012
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8I9O
| ecCTPS filament bound with CTP, NADH, DON | Descriptor: | 5-OXO-L-NORLEUCINE, ADENINE, CTP synthase, ... | Authors: | Guo, C.J, Liu, J.L. | Deposit date: | 2023-02-07 | Release date: | 2024-02-14 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Filamentation and inhibition of prokaryotic CTP synthase with ligands. Mlife, 3, 2024
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8DD5
| Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | Descriptor: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | Authors: | Greasley, S.E, Johnson, E, Brodsky, O. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363 To Be Published
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8HBT
| AmAT7-3 mutant A310G | Descriptor: | AmAT7-3-A310G, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-31 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8H8I
| Triterpenoid saponin acetyltransferase, AmAT7-3 | Descriptor: | AmAT7-3, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-22 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8EPL
| Human R-type voltage-gated calcium channel Cav2.3 at 3.1 Angstrom resolution | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-10-06 | Release date: | 2022-12-14 | Last modified: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments. Nat Commun, 13, 2022
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8EPM
| Human R-type voltage-gated calcium channel Cav2.3 CH2II-deleted mutant at 3.1 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-10-06 | Release date: | 2022-12-14 | Last modified: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments. Nat Commun, 13, 2022
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7F4G
| Structure of RPAP2-bound RNA polymerase II | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Chen, X, Qi, Y, Wang, X, Li, J, Zhao, D, Xu, Y. | Deposit date: | 2021-06-18 | Release date: | 2021-07-07 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | RPAP2 regulates a transcription initiation checkpoint by inhibiting assembly of pre-initiation complex. Cell Rep, 39, 2022
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7RA8
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7RAL
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5CQR
| Dimerization of Elp1 is essential for Elongator complex assembly | Descriptor: | Elongator complex protein 1 | Authors: | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | Deposit date: | 2015-07-22 | Release date: | 2015-08-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.015 Å) | Cite: | Dimerization of elongator protein 1 is essential for Elongator complex assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
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5CQS
| Dimerization of Elp1 is essential for Elongator complex assembly | Descriptor: | Elongator complex protein 1 | Authors: | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | Deposit date: | 2015-07-22 | Release date: | 2015-08-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Dimerization of elongator protein 1 is essential for Elongator complex assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
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5YKI
| Crystal structure of the engineered nine-repeat PUF domain in complex with cognate 9nt-RNA | Descriptor: | Pumilio homolog 1, RNA (5'-R(*UP*GP*UP*UP*GP*UP*AP*UP*A)-3') | Authors: | Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W. | Deposit date: | 2017-10-14 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Expanding RNA binding specificity and affinity of engineered PUF domains. Nucleic Acids Res., 46, 2018
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8W9B
| CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | Descriptor: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 32, 2024
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5YKH
| Crystal structure of the engineered nine-repeat PUF domain | Descriptor: | PHOSPHATE ION, Pumilio homolog 1 | Authors: | Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W. | Deposit date: | 2017-10-14 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.457 Å) | Cite: | Expanding RNA binding specificity and affinity of engineered PUF domains. Nucleic Acids Res., 46, 2018
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8W9A
| CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site | Descriptor: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 32, 2024
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