8DKX
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7CCE
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8DKM
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6NIG
| Crystal structure of the human TLR2-Diprovocim complex | Descriptor: | (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, H, Beutler, B.A, Tomchick, D.R, Su, L. | Deposit date: | 2018-12-27 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim. J. Med. Chem., 62, 2019
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7W2I
| Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shang, L, Zhang, G. | Deposit date: | 2021-11-23 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the cytokinin-producing enzyme "lonely guy" (LOG) from Mycobacterium tuberculosis. Biochem.Biophys.Res.Commun., 598, 2022
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4XNV
| The human P2Y1 receptor in complex with BPTU | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ... | Authors: | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | Deposit date: | 2015-01-16 | Release date: | 2015-04-01 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Two disparate ligand-binding sites in the human P2Y1 receptor Nature, 520, 2015
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5YIJ
| Structure of a Legionella effector with substrates | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin | Authors: | Feng, Y, Mu, Y, Wang, H. | Deposit date: | 2017-10-05 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structural basis of ubiquitin modification by the Legionella effector SdeA. Nature, 557, 2018
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6NIL
| cryoEM structure of the truncated HIV-1 Vif/CBFbeta/A3F complex | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3F, Virion infectivity factor, ... | Authors: | Hu, Y, Xiong, Y. | Deposit date: | 2018-12-29 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of antagonism of human APOBEC3F by HIV-1 Vif. Nat.Struct.Mol.Biol., 26, 2019
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7CJM
| SARS CoV-2 PLpro in complex with GRL0617 | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION | Authors: | Fu, Z, Huang, H. | Deposit date: | 2020-07-11 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery. Nat Commun, 12, 2021
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4FZ3
| Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | Authors: | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | Deposit date: | 2012-07-06 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate J.Med.Chem., 56, 2013
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5DI0
| Crystal structure of Dln1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-08-31 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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4ZOL
| Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex | Descriptor: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-05-06 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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4WZF
| Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION | Authors: | Dong, W.Y, Fu, Z.F, Peng, G.Q. | Deposit date: | 2014-11-19 | Release date: | 2015-12-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis. Sci Rep, 5, 2015
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7P3J
| EED in complex with compound 4 | Descriptor: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one, MAGNESIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3C
| EED in complex with compound 4 | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3G
| EED in complex with compound 4 | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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6NIH
| Crystal structure of human TLR1 | 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, ... | Authors: | Su, L, Zhang, H. | Deposit date: | 2018-12-27 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim. J. Med. Chem., 62, 2019
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7OO7
| KRasG12C ligand complex | Descriptor: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | Authors: | Phillips, C. | Deposit date: | 2021-05-26 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7WY5
| ADGRL3/Gq complex | Descriptor: | 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, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-15 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling. Mol.Cell, 82, 2022
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7WYB
| ADGRL3/Gi complex | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-15 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling. Mol.Cell, 82, 2022
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7WY8
| ADGRL3/Gs complex | Descriptor: | 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, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-15 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling Mol.Cell, 82, 2022
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4NIE
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7X10
| ADGRL3/miniG12 complex | Descriptor: | 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, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-22 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling. Mol.Cell, 82, 2022
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8WI0
| wt-hMRP5 inward-open | Descriptor: | ATP-binding cassette sub-family C member 5 | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
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6LHC
| The cryo-EM structure of coxsackievirus A16 empty particle | Descriptor: | VP1, VP2, VP3 | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | Deposit date: | 2019-12-07 | Release date: | 2020-02-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16. Cell Host Microbe, 27, 2020
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