3L3L
 
 | | PARP complexed with A906894 | | Descriptor: | 3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Park, C.H. | | Deposit date: | 2009-12-17 | | Release date: | 2010-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and SAR of substituted 3-oxoisoindoline-4-carboxamides as potent inhibitors of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3L9I
 | | Myosin VI nucleotide-free (mdinsert2) L310G mutant crystal structure | | Descriptor: | ACETATE ION, CALCIUM ION, Calmodulin, ... | | Authors: | Pylypenko, O, Song, L, Sweeney, L.H, Houdusse, A. | | Deposit date: | 2010-01-05 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of insert i of myosin VI in modulating nucleotide affinity
To be Published
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3O8B
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3O8R
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7BZ7
 | | Template lasso peptide C24 mutant F15Y | | Descriptor: | lasso peptide | | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | | Deposit date: | 2020-04-27 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
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7WSB
 | | The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B | | Descriptor: | 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | | Authors: | Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P. | | Deposit date: | 2022-01-28 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
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7YSU
 | | Cryo-EM Structure of FGF23-FGFR3c-aKlotho-HS Quaternary Complex | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ... | | Authors: | Mohammadi, M, Chen, L. | | Deposit date: | 2022-08-13 | | Release date: | 2023-04-19 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for FGF hormone signalling.
Nature, 618, 2023
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7YSH
 | | Cryo-EM Structure of FGF23-FGFR1c-aKlotho-HS Quaternary Complex | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, COPPER (II) ION, Fibroblast growth factor 23, ... | | Authors: | Mohammadi, M, Chen, L. | | Deposit date: | 2022-08-12 | | Release date: | 2023-04-19 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structural basis for FGF hormone signalling.
Nature, 618, 2023
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7YSW
 | | Cryo-EM Structure of FGF23-FGFR4-aKlotho-HS Quaternary Complex | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ... | | Authors: | Mohammadi, M, Chen, L. | | Deposit date: | 2022-08-13 | | Release date: | 2023-06-14 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural basis for FGF hormone signalling.
Nature, 618, 2023
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8HBK
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Lin, M. | | Deposit date: | 2022-10-29 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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7DAJ
 | | The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa | | Descriptor: | ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, chloroplastic | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAL
 | | The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from Oryza Sativa | | Descriptor: | ACETYL COENZYME *A, SEROTONIN, Serotonin N-acetyltransferase 1, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAK
 | | The crystal structure of a serotonin N-acetyltransferase in complex with 5-Methoxytryptamine and acetyl-CoA from Oryza Sativa | | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAI
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa | | Descriptor: | Serotonin N-acetyltransferase 1, chloroplastic | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4RB4
 | | Crystal structure of dodecameric iron-containing heptosyltransferase TibC in complex with ADP-D-beta-D-heptose at 3.9 angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase tibC, ... | | Authors: | Yao, Q, Lu, Q, Shao, F. | | Deposit date: | 2014-09-12 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.88 Å) | | Cite: | A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family
Elife, 3, 2014
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3PWK
 | | Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2010-12-08 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
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3PZR
 | | Crystals structure of aspartate beta-Semialdehyde dehydrogenase from Vibrio Cholerae with NADP and product of S-carbamoyl-L-cysteine | | Descriptor: | Aspartate-semialdehyde dehydrogenase, CYSTEINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pavlovsky, A.G, Potente, N, Viola, R.E. | | Deposit date: | 2010-12-14 | | Release date: | 2012-01-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
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3Q11
 | | Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Streptococcus pneumoniae with NADP and aspartyl beta-difluorophosphonate | | Descriptor: | 1,2-ETHANEDIOL, 5,5-difluoro-4-oxo-5-phosphono-D-norvaline, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E, Faehnle, C.R. | | Deposit date: | 2010-12-16 | | Release date: | 2012-01-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
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7DYN
 | | Phosphorylation of MHC I peptide | | Descriptor: | ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen | | Authors: | Sun, M.W, Feng, L, Qi, J.X, Liu, W.J. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
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7CIS
 | | Peptide modification of MHC class I molecules | | Descriptor: | ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG, Beta-2-microglobulin, MHC class I antigen | | Authors: | Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F. | | Deposit date: | 2020-07-08 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
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7CIR
 | | Peptide phosphorylation modification of MHC class I molecules | | Descriptor: | ARG-ARG-PHE-SEP-ARG-SER-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen | | Authors: | Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F. | | Deposit date: | 2020-07-08 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
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7CIQ
 | | Phosphorylation modification of MHC I polypeptide | | Descriptor: | ARG-ARG-PHE-SER-ARG-SER-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen | | Authors: | Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F. | | Deposit date: | 2020-07-08 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
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7CU6
 | | lasso peptide C24 mutant - A11V2C | | Descriptor: | lasso peptide C24_A11V2C | | Authors: | Ma, M, Liu, X.H. | | Deposit date: | 2020-08-21 | | Release date: | 2021-08-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
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8HF8
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | | Descriptor: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | Deposit date: | 2022-11-09 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
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3Q1L
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