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PDB: 108 results

7M2P
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Structure of the SARS-CoV-2 3CL protease in complex with inhibitor 18
Descriptor: 3C-like proteinase, Inhibitor 18 in bound form
Authors:Yang, K, Li, L.
Deposit date:2021-03-17
Release date:2021-08-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Self-Masked Aldehyde Inhibitors: A Novel Strategy for Inhibiting Cysteine Proteases.
J.Med.Chem., 64, 2021
6DMX
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BU of 6dmx by Molmil
HBZ56 in complex with KIX and c-Myb
Descriptor: BZIP factor, CREB-binding protein, Transcriptional activator Myb
Authors:Yang, K, Wright, P.E, Stanfield, R.L.
Deposit date:2018-06-05
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DNQ
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HBZ77 in complex with KIX and c-Myb
Descriptor: 1,2-ETHANEDIOL, BZIP factor, CREB-binding protein, ...
Authors:Yang, K, Wright, P.E, Stanfield, R.L.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8W2W
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BU of 8w2w by Molmil
Structure of transthyretin synthetic mutation A120L
Descriptor: Transthyretin
Authors:Yang, K, Sun, X, Ferguson, J.A, Stanfield, R.L, Wright, P.E.
Deposit date:2024-02-21
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The mispacked F87 sidechain drives aggregation-promoting conformational fluctuations in transthyretin
To Be Published
8CZI
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BU of 8czi by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with extended HR2
Descriptor: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-05-24
Release date:2022-09-07
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Nanomolar inhibition of SARS-CoV-2 infection by an unmodified peptide targeting the prehairpin intermediate of the spike protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
3E66
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BU of 3e66 by Molmil
Crystal structure of the beta-finger domain of yeast Prp8
Descriptor: PRP8
Authors:Yang, K, Zhang, L, Xu, T, Heroux, A, Zhao, R.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the beta-finger domain of Prp8 reveals analogy to ribosomal proteins.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5HQP
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BU of 5hqp by Molmil
Crystal structure of the ERp44-peroxiredoxin 4 complex
Descriptor: Endoplasmic reticulum resident protein 44, Peroxiredoxin-4
Authors:Yang, K, Li, D.F, Wang, X, Wang, C.C.
Deposit date:2016-01-22
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the ERp44-Peroxiredoxin 4 Complex Reveals the Molecular Mechanisms of Thiol-Mediated Protein Retention.
Structure, 24, 2016
5V7Q
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BU of 5v7q by Molmil
Cryo-EM structure of the large ribosomal subunit from Mycobacterium tuberculosis bound with a potent linezolid analog
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Yang, K, Chang, J.-Y, Cui, Z, Zhang, J.
Deposit date:2017-03-20
Release date:2017-09-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
5V93
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Cryo-EM structure of the 70S ribosome from Mycobacterium tuberculosis bound with Capreomycin
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Yang, K, Chang, J.-Y, Cui, Z, Li, X, Meng, R, Duan, L, Thongchol, J, Jakana, J, Huwe, C, Sacchettini, J, Zhang, J.
Deposit date:2017-03-22
Release date:2017-09-20
Last modified:2020-08-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
8FA1
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BU of 8fa1 by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with N969K mutation
Descriptor: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2' HR2
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-11-25
Release date:2023-03-29
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FA2
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BU of 8fa2 by Molmil
Cryo-EM structure of the SARS-CoV-2 Omicron HR1-42G complex
Descriptor: Scaffolded Spike protein S2' HR1, Spike protein S2' 42G
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-11-25
Release date:2023-03-29
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EOY
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BU of 8eoy by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase, benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name)
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-10-04
Release date:2023-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
3BF3
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BU of 3bf3 by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with product phosphopantothenate
Descriptor: MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Type III pantothenate kinase
Authors:Yang, K, Huerta, C, Strauss, E, Zhang, H.
Deposit date:2007-11-20
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
3BEX
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BU of 3bex by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate
Descriptor: PANTOTHENOIC ACID, PHOSPHATE ION, Type III pantothenate kinase
Authors:Yang, K, Huerta, C, Strauss, E, Zhang, H.
Deposit date:2007-11-20
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
3BF1
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BU of 3bf1 by Molmil
Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Type III pantothenate kinase
Authors:Yang, K, Huerta, C, Strauss, E, Zhang, H.
Deposit date:2007-11-20
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase.
Biochemistry, 47, 2008
2GTD
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BU of 2gtd by Molmil
Crystal Structure of a Type III Pantothenate Kinase: Insight into the Catalysis of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria
Descriptor: Type III Pantothenate Kinase
Authors:Yang, K, Eyobo, Y, Brand, A.L, Martynowski, D, Tomchick, D.
Deposit date:2006-04-27
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Type III Pantothenate Kinase: Insight into the Mechanism of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria.
J.Bacteriol., 188, 2006
7S71
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BU of 7s71 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI35
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S72
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BU of 7s72 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6X
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BU of 7s6x by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6W
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BU of 7s6w by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S75
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BU of 7s75 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42
Descriptor: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Y
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BU of 7s6y by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S74
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38
Descriptor: 3C-like proteinase, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S73
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BU of 7s73 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Z
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BU of 7s6z by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022

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