5H24
| EED in complex with PRC2 allosteric inhibitor compound 8 | Descriptor: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5H13
| EED in complex with PRC2 allosteric inhibitor EED396 | Descriptor: | 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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5H17
| EED in complex with PRC2 allosteric inhibitor EED210 | Descriptor: | (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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6DV3
| Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG in the open gate state | Descriptor: | Protein InvG | Authors: | Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J. | Deposit date: | 2018-06-22 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin. Nat Commun, 9, 2018
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6DV6
| Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG (residues 176-end) in the open gate state | Descriptor: | Protein InvG | Authors: | Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J. | Deposit date: | 2018-06-22 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin. Nat Commun, 9, 2018
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6DUZ
| Structure of the periplasmic domains of PrgH and PrgK from the assembled Salmonella type III secretion injectisome needle complex | Descriptor: | Lipoprotein PrgK, Protein PrgH | Authors: | Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J. | Deposit date: | 2018-06-22 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin. Nat Commun, 9, 2018
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7KDT
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5XEP
| Crystal structure of BRP39, a chitinase-like protein, at 2.6 Angstorm resolution | Descriptor: | 1,2-ETHANEDIOL, Chitinase-3-like protein 1 | Authors: | Mohanty, A.K, Fisher, A.J, Choudhary, S, Kaushik, J.K. | Deposit date: | 2017-04-05 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of BRP39, a signalling glycoprotein expressed during mammary gland apoptosis. To be published
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7ROZ
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7RQS
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6MPV
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6NI2
| Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex | Descriptor: | Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ... | Authors: | Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J. | Deposit date: | 2018-12-26 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex. Nat.Struct.Mol.Biol., 26, 2019
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6NI3
| B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex | Descriptor: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J. | Deposit date: | 2018-12-26 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex. Nat.Struct.Mol.Biol., 26, 2019
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6PEP
| Focussed refinement of InvGN0N1:SpaPQR:PrgIJ from the Salmonella SPI-1 injectisome needle complex | Descriptor: | Protein InvG, Protein PrgH, Protein PrgI, ... | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2019-06-20 | Release date: | 2019-10-23 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly. Nat Microbiol, 4, 2019
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6PEE
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6PEM
| Focussed refinement of InvGN0N1:SpaPQR:PrgHK from Salmonella SPI-1 injectisome NC-base | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH, ... | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2019-06-20 | Release date: | 2019-10-23 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly. Nat Microbiol, 4, 2019
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6Q15
| Structure of the Salmonella SPI-1 injectisome needle complex | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH, ... | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2019-08-02 | Release date: | 2019-10-23 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (5.15 Å) | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly. Nat Microbiol, 4, 2019
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6Q14
| Structure of the Salmonella SPI-1 injectisome NC-base | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH, ... | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2019-08-02 | Release date: | 2019-10-23 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly. Nat Microbiol, 4, 2019
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6QDB
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6QDA
| Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811 | Descriptor: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
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6QDG
| Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169 | Descriptor: | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
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6QDD
| Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105 | Descriptor: | 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
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3N2Y
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7LTN
| Crystal structure of Mpro in complex with inhibitor CDD-1713 | Descriptor: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S. | Deposit date: | 2021-02-19 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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3RIK
| The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | Descriptor: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | Authors: | Orwig, S.D, Lieberman, R.L. | Deposit date: | 2011-04-13 | Release date: | 2012-03-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease Biochemistry, 50, 2011
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