6U2N
 
 | | PCSK9 in complex with compound 4 | | Descriptor: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-20 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6UKM
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2 | | Descriptor: | 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-05 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6U36
 | | PCSK9 in complex with a Fab and compound 14 | | Descriptor: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-21 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6UKV
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKU
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | | Descriptor: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UL0
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | | Descriptor: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6U3X
 | | PCSK9 in complex with compound 2 | | Descriptor: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U26
 | | PCSK9 in complex with compound 16 | | Descriptor: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2019-08-19 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U2P
 | | PCSK9 in complex with compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-20 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6UKX
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11 | | Descriptor: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKZ
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6 | | Descriptor: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKW
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10 | | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UKY
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12 | | Descriptor: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-06 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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4QUW
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4RC7
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4RC8
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4RC6
 | | Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant | | Descriptor: | Aldehyde decarbonylase, FE (II) ION | | Authors: | Jia, C.J, Li, M, Li, J.J, Zhang, J.J, Zhang, H.M, Cao, P, Pan, X.W, Lu, X.F, Chang, W.R. | | Deposit date: | 2014-09-14 | | Release date: | 2014-12-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
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4RC5
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4RT4
 | | Crystal structure of Dpy30 complexed with Bre2 | | Descriptor: | Peptide from COMPASS component BRE2, Protein dpy-30 homolog | | Authors: | Zhang, H.M, Li, M, Chang, W.R. | | Deposit date: | 2014-11-12 | | Release date: | 2015-10-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural implications of Dpy30 oligomerization for MLL/SET1 COMPASS H3K4 trimethylation
Protein Cell, 6, 2015
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4RTA
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8KIF
 | | The structure of MmaE with substrate | | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Putative dioxygenase | | Authors: | Chen, J, Zhou, J. | | Deposit date: | 2023-08-23 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Variation in Biosynthesis and Metal-Binding Properties of Isonitrile-Containing Peptides Produced by Mycobacteria versus Streptomyces
Acs Catalysis, 14, 2024
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8KHT
 | | The structure of Rv0097 with substrate | | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Oxidoreductase | | Authors: | Chen, J, Zhou, J. | | Deposit date: | 2023-08-22 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Variation in Biosynthesis and Metal-Binding Properties of Isonitrile-Containing Peptides Produced by Mycobacteria versus Streptomyces.
Acs Catalysis, 14, 2024
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3BXV
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1WAV
 | | CRYSTAL STRUCTURE OF FORM B MONOCLINIC CRYSTAL OF INSULIN | | Descriptor: | INSULIN, PHENOL, ZINC ION | | Authors: | Liang, D.-C, Ding, J.-H, Chang, W.-R, Wan, Z.-L. | | Deposit date: | 1996-02-28 | | Release date: | 1997-02-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular replacement study on form-B monoclinic crystal of insulin.
Sci.China, Ser.C: Life Sci., 39, 1996
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3PL9
 | | Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R. | | Deposit date: | 2010-11-14 | | Release date: | 2011-02-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
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