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8BBK
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BU of 8bbk by Molmil
Crystal structure of human Sirt3 in complex with a fragment of the human AROS protein
Descriptor: Active regulator of SIRT1, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
Authors:Steegborn, C, Weiss, S.
Deposit date:2022-10-13
Release date:2023-08-30
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Molecular Mechanism of Sirtuin 1 Modulation by the AROS Protein.
Int J Mol Sci, 23, 2022
1XH3
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BU of 1xh3 by Molmil
Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Probst-Kepper, M, Hecht, H.J, Herrmann, H, Janke, V, Ocklenburg, F, Klempnauer, J, van den Eynde, B.J, Weiss, S.
Deposit date:2004-09-17
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Conformational restraints and flexibility of 14-meric peptides in complex with HLA-B*3501.
J.Immunol., 173, 2004
6XQI
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BU of 6xqi by Molmil
Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A
Descriptor: ASN-PRO-LEU-GLU-PHE-LEU, Protein Vpr, UV excision repair protein RAD23 homolog A, ...
Authors:Calero, G.C, Wu, Y, Weiss, S.C.
Deposit date:2020-07-09
Release date:2021-08-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
8U9X
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BU of 8u9x by Molmil
STRUCTURAL BASIS OF TRANSCRIPTION: RNA POLYMERASE II SUBSTRATE BINDING AND METAL COORDINATION AT 3.0 A OF T834P MUTANT USING A FREE-ELECTRON LASER
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Arjunan, P, Calero, G, Kaplan, C.D.
Deposit date:2023-09-20
Release date:2024-09-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U9R
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BU of 8u9r by Molmil
STRUCTURAL BASIS OF TRANSCRIPTION: RNA POLYMERASE II SUBSTRATE BINDING AND METAL COORDINATION USING A FREE-ELECTRON LASER
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*AP*CP*GP*TP*CP*CP*CP*TP*CP*TP*CP*GP*A)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Arjunan, P, Calero, G, Kaplan, C.D.
Deposit date:2023-09-20
Release date:2024-09-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser.
Proc.Natl.Acad.Sci.USA, 121, 2024
7NFX
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Mammalian ribosome nascent chain complex with SRP and SRP receptor in early state A
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Jomaa, A, Lee, J.H, Shan, S, Ban, N.
Deposit date:2021-02-08
Release date:2021-06-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Receptor compaction and GTPase rearrangement drive SRP-mediated cotranslational protein translocation into the ER.
Sci Adv, 7, 2021
6XQJ
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BU of 6xqj by Molmil
Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A
Descriptor: Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION
Authors:Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M.
Deposit date:2020-07-09
Release date:2021-11-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
6QCN
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BU of 6qcn by Molmil
Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
Authors:Riemer, S, You, W, Steegborn, C.
Deposit date:2018-12-29
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCJ
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BU of 6qcj by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate
Descriptor: (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-28
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCE
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BU of 6qce by Molmil
Human Sirt6 in complex with ADP-ribose and the activator isoquercetin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCH
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BU of 6qch by Molmil
Human Sirt6 in complex with ADP-ribose and the activator cyanidin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-28
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCD
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BU of 6qcd by Molmil
Human Sirt6 in complex with ADP-ribose and the activator quercetin
Descriptor: 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
5JCZ
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BU of 5jcz by Molmil
Rab11 bound to MyoVa-GTD
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A.
Deposit date:2016-04-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.056 Å)
Cite:Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
5JCY
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BU of 5jcy by Molmil
Spir2-GTBM bound to MyoVa-GTD
Descriptor: Protein spire homolog 2, Unconventional myosin-Va
Authors:Pylypenko, O, Malherbes, G, Welz, T, Kerkhoff, E, Houdusse, A.
Deposit date:2016-04-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
7O00
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BU of 7o00 by Molmil
Crystal structure of HLA-DR4 in complex with a HSP70 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaperone protein DnaK, ...
Authors:Ge, C, Holmdahl, R.
Deposit date:2021-03-25
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7NZH
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BU of 7nzh by Molmil
Crystal structure of HLA-DR4 in complex with a citrullinated cilp peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, ...
Authors:Ge, C, Holmdahl, R.
Deposit date:2021-03-24
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.831 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7NZF
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BU of 7nzf by Molmil
Crystal structure of HLA-DR4 in complex with a mutated human collagen type II peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Ge, C, Dobritzsch, D, Holmdahl, R.
Deposit date:2021-03-24
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7NZE
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BU of 7nze by Molmil
Crystal structure of HLA-DR4 in complex with a human collagen type II peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(II) chain, GLYCEROL, ...
Authors:Ge, C, Dobritzsch, D, Holmdahl, R.
Deposit date:2021-03-24
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7GCF
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BU of 7gcf by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-5a013bed-4 (Mpro-x10604)
Descriptor: 2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GB1
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BU of 7gb1 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with STE-KUL-2e0d2e88-2 (Mpro-x10150)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.289 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCW
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BU of 7gcw by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NAU-LAT-445f63e5-6 (Mpro-x10800)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBG
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BU of 7gbg by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-1 (Mpro-x10329)
Descriptor: (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBX
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BU of 7gbx by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-5a013bed-2 (Mpro-x10466)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCC
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BU of 7gcc by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-95b75b4d-4 (Mpro-x10566)
Descriptor: 2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCT
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BU of 7gct by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BRU-LEF-c49414a7-1 (Mpro-x10756)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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PDB entries from 2024-09-18

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