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6UKY
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BU of 6uky by Molmil
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
6EG0
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BU of 6eg0 by Molmil
Crystal structure of Dpr4 Ig1-Ig2 in complex with DIP-Eta Ig1-Ig3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]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:Cosmanescu, F, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
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
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:2021-03-03
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
6EFY
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BU of 6efy by Molmil
Crystal Structure of DIP-Alpha Ig1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Dpr-interacting protein alpha, isoform A, ...
Authors:Cosmanescu, F, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
6EFZ
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BU of 6efz by Molmil
Crystal Structure of DIP-Theta Ig1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Cosmanescu, F, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.499 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
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
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
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:2018-10-24
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
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
7R7X
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BU of 7r7x by Molmil
Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, ...
Authors:Li, X.L, Tan, K.M, 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 (2.099 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R7V
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BU of 7r7v by Molmil
Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9
Descriptor: Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ...
Authors:Li, X.L, Tan, K.M, 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 (1.6 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R7W
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BU of 7r7w by Molmil
Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 S3T variant
Descriptor: Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, MHC class I antigen
Authors:Li, X.L, Tan, K.M, 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 (1.17 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R80
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BU of 7r80 by Molmil
Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301
Descriptor: Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ...
Authors:Li, X.L, Tan, K.M, 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 (2.9 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R7Y
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BU of 7r7y by Molmil
Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 S3T variant
Descriptor: Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ...
Authors:Li, X.L, Ng, R, Tan, K.M, 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 (1.601 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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
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
5HXB
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BU of 5hxb by Molmil
Cereblon in complex with DDB1, CC-885, and GSPT1
Descriptor: 1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
Authors:Chamberlain, P.P, Matyskiela, M, Pagarigan, B.
Deposit date:2016-01-30
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase.
Nature, 535, 2016
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
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
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
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
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

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