7S6X
 
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S72
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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8DZ8
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8EK5
 | | Engineered scFv 10LH bound to PHOX2B/HLA-A24:02 | | Descriptor: | 10LH single chain fragment variable (scFv), Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Garfinkle, S.E, Florio, T.J, Sgourakis, N.G. | | Deposit date: | 2022-09-20 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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7U8T
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8SBL
 | | Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI | | Descriptor: | Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, MHC class I antigen | | Authors: | Mallik, L, Young, M.C, Sgourakis, N.G. | | Deposit date: | 2023-04-03 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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8SBK
 | | Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI (ATG2A). | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, ... | | Authors: | Mallik, L, Young, M.C, Sgourakis, N.G. | | Deposit date: | 2023-04-03 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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8TYP
 | | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | | Descriptor: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Geisbrecht, B.V. | | Deposit date: | 2023-08-25 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs.
J Immunol., 212, 2024
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5Z2C
 | | Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose | | Descriptor: | Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Ding, J, She, Y, Shao, F. | | Deposit date: | 2018-01-02 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
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8JJ9
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3GZN
 | | Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924 | | Descriptor: | NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... | | Authors: | Sintchak, M.D. | | Deposit date: | 2009-04-07 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Substrate-assisted inhibition of ubiquitin-like protein-activating enzymes: the NEDD8 E1 inhibitor MLN4924 forms a NEDD8-AMP mimetic in situ.
Mol.Cell, 37, 2010
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5T18
 | | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | | Descriptor: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2016-08-18 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
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5U0C
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5U0B
 | | Structure of full-length Zika virus NS5 | | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Zhao, B, Du, F. | | Deposit date: | 2016-11-23 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and function of the Zika virus full-length NS5 protein.
Nat Commun, 8, 2017
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5CI6
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5W2E
 | | HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876 | | Descriptor: | 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide, Genome polyprotein | | Authors: | Lesburg, C.A, Ummat, A. | | Deposit date: | 2017-06-06 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876.
ChemMedChem, 12, 2017
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5W4S
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3PJA
 | | Crystal structure of human C3PO complex | | Descriptor: | Translin, Translin-associated protein X | | Authors: | Huang, N, Zhang, H. | | Deposit date: | 2010-11-09 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of C3PO and mechanism of human RISC activation.
Nat.Struct.Mol.Biol., 18, 2011
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8IL0
 | | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 | | Descriptor: | Glycosyltransferase | | Authors: | Dai, Y, Li, P, Qiao, H, Xia, M, Liu, W, Fang, P. | | Deposit date: | 2023-03-01 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
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3QB5
 | | Human C3PO complex in the presence of MnSO4 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Ye, X, Huang, N, Liu, Y, Paroo, Z, Chen, S, Zhang, H, Liu, Q. | | Deposit date: | 2011-01-12 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of C3PO and mechanism of human RISC activation.
Nat.Struct.Mol.Biol., 18, 2011
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6K1Z
 | | Crystal structure of farnesylated hGBP1 | | Descriptor: | FARNESYL, Guanylate-binding protein 1 | | Authors: | Du, S, Xiao, J.Y. | | Deposit date: | 2019-05-13 | | Release date: | 2019-06-12 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8.
Plos Pathog., 15, 2019
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4F2L
 | | Structure of a regulatory domain of AMPK | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, MAGNESIUM ION | | Authors: | Xin, F.J, Zhang, Y.Y, Wang, J, Wang, Z.X, Wu, J.W. | | Deposit date: | 2012-05-08 | | Release date: | 2013-06-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conserved regulatory elements in AMPK
Nature, 498, 2013
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4OQW
 | | Crystal structure of mCardinal far-red fluorescent protein | | Descriptor: | Fluorescent protein FP480 | | Authors: | Burg, J.S, Chu, J, Lam, A.J, Lin, M.Z, Garcia, K.C. | | Deposit date: | 2014-02-10 | | Release date: | 2014-03-12 | | Last modified: | 2014-05-14 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Non-invasive intravital imaging of cellular differentiation with a bright red-excitable fluorescent protein.
Nat.Methods, 11, 2014
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7VRU
 | | Crystal structure of PacII_M1M2S-DNA-SAH complex | | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | | Authors: | Zhu, J, Gao, P. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
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7VS4
 | | Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex | | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | | Authors: | Zhu, J, Gao, P. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
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