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6UKW
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BU of 6ukw by Molmil
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
7R7Z
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BU of 7r7z by Molmil
Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3
Descriptor: Alpha chain of C3 TCR, Beta chain of C3 TCR, HEXAETHYLENE GLYCOL, ...
Authors:Li, X.L, Tan, K.M, Xu, S.T, Ng, R, Walker, B.D, Wang, J.H.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
6GHC
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BU of 6ghc by Molmil
Modification dependent EcoKMcrA restriction endonuclease
Descriptor: 5-methylcytosine-specific restriction enzyme A, ZINC ION
Authors:Czapinska, H, Kowalska, M, Zagorskaite, E, Manakova, E, Xu, S, Siksnys, V, Sasnauskas, G, Bochtler, M.
Deposit date:2018-05-07
Release date:2018-08-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Activity and structure of EcoKMcrA.
Nucleic Acids Res., 46, 2018
6GHS
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BU of 6ghs by Molmil
Modification dependent TagI restriction endonuclease
Descriptor: SODIUM ION, TagI restriction endonuclease, ZINC ION
Authors:Kisiala, M, Copelas, A, Czapinska, H, Xu, S, Bochtler, M.
Deposit date:2018-05-08
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of the modification-dependent SRA-HNH endonuclease TagI.
Nucleic Acids Res., 46, 2018
4Y2W
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BU of 4y2w by Molmil
Crystal structure of a thermostable alanine racemase from Thermoanaerobacter tengcongensis MB4
Descriptor: ALANINE, Alanine racemase 1, PHOSPHATE ION
Authors:Xu, X, Ju, J, Dong, H.
Deposit date:2015-02-10
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a Thermostable Alanine Racemase from Thermoanaerobacter tengcongensis MB4 Reveals the Role of Gln360 in Substrate Selection
Plos One, 10, 2015
1DC1
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BU of 1dc1 by Molmil
RESTRICTION ENZYME BSOBI/DNA COMPLEX STRUCTURE: ENCIRCLEMENT OF THE DNA AND HISTIDINE-CATALYZED HYDROLYSIS WITHIN A CANONICAL RESTRICTION ENZYME FOLD
Descriptor: 1,4-DIETHYLENE DIOXIDE, BSOBI RESTRICTION ENDONUCLEASE, DNA (5'-D(*T*AP*TP*AP*CP*TP*CP*GP*AP*GP*TP*AP*T)-3')
Authors:van der Woerd, M.J, Pelletier, J.J, Xu, S.-Y, Friedman, A.M.
Deposit date:1999-11-04
Release date:2001-02-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Restriction enzyme BsoBI-DNA complex: a tunnel for recognition of degenerate DNA sequences and potential histidine catalysis.
Structure, 9, 2001
8GWO
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BU of 8gwo by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-11-30
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWG
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BU of 8gwg by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWI
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BU of 8gwi by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWN
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BU of 8gwn by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWB
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BU of 8gwb by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9
Descriptor: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
Authors:Yan, L.M, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-16
Release date:2022-12-07
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWE
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BU of 8gwe by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP
Descriptor: Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ...
Authors:Yan, L.M, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-16
Release date:2023-01-11
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWF
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BU of 8gwf by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2023-01-11
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
6YEX
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BU of 6yex by Molmil
VcaM4I restriction endonuclease in the absence of DNA
Descriptor: CHLORIDE ION, HNH endonuclease, SULFATE ION
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-03-25
Release date:2020-12-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6YMG
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BU of 6ymg by Molmil
VcaM4I restriction endonuclease in complex with 5mC-modified dsDNA
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*A)-3'), DNA (5'-D(P*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), ...
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-04-08
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
1GP7
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BU of 1gp7 by Molmil
Acidic Phospholipase A2 from venom of Ophiophagus Hannah
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Zhang, H, Lin, Z.
Deposit date:2001-10-30
Release date:2002-10-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a Cardiotoxic Phospholipase A(2) from Ophiophagus Hannah with the "Pancreatic Loop"
J.Struct.Biol., 138, 2002
6YKF
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BU of 6ykf by Molmil
VcaM4I restriction endonuclease in the presence of 5mC-modified ssDNA
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*AP*(5CM)P*AP*G)-3'), GLYCEROL, ...
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-04-06
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6YJB
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BU of 6yjb by Molmil
VcaM4I restriction endonuclease 5hmC-ssDNA complex
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*AP*(5HC)P*AP*G)-3'), GLYCEROL, ...
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-04-02
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6OC0
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BU of 6oc0 by Molmil
Crystal structure of human DHODH with OSU-03012
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Durst, M.A, Lavie, A.
Deposit date:2019-03-21
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
6OC1
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BU of 6oc1 by Molmil
Crystal structure of human DHODH with TAK-632
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Durst, M.A, Lavie, A.
Deposit date:2019-03-21
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
6M05
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BU of 6m05 by Molmil
Trimolecular G-quadruplex
Descriptor: DNA (5'-D(*GP*TP*TP*AP*GP*G)-3')
Authors:Jing, H.T, Fu, W.Q, Zhang, N.
Deposit date:2020-02-20
Release date:2021-01-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structural study on the self-trimerization of d(GTTAGG) into a dynamic trimolecular G-quadruplex assembly preferentially in Na+ solution with a moderate K+ tolerance.
Nucleic Acids Res., 49, 2021
8FF8
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BU of 8ff8 by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE
Descriptor: 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Muckelbauer, J.K, Lewis, H.A.
Deposit date:2022-12-08
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors.
J.Med.Chem., 66, 2023
4WXM
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BU of 4wxm by Molmil
FleQ REC domain from Pseudomonas aeruginosa PAO1
Descriptor: Transcriptional regulator FleQ
Authors:Su, T, Liu, S, Gu, L.
Deposit date:2014-11-14
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator
J.Struct.Biol., 192, 2015
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023

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