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PDB: 308 results

7RVX
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24
Descriptor: 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVP
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI14
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Sankaran, B, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVN
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVY
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BU of 7rvy by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25
Descriptor: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVT
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BU of 7rvt by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20
Descriptor: 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K, Sankaran, B, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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
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
2R0P
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K252c-soaked RebC
Descriptor: 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ryan, K.S, Drennan, C.L.
Deposit date:2007-08-20
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic trapping in the rebeccamycin biosynthetic enzyme RebC
Proc.Natl.Acad.Sci.Usa, 104, 2007
2R0C
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Structure of the substrate-free form of the rebeccamycin biosynthetic enzyme REBC
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, RebC
Authors:Ryan, K.S, Drennan, C.L.
Deposit date:2007-08-18
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic trapping in the rebeccamycin biosynthetic enzyme RebC
Proc.Natl.Acad.Sci.Usa, 104, 2007
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
7RZU
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BU of 7rzu by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation
Descriptor: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZS
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BU of 7rzs by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation
Descriptor: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZR
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BU of 7rzr by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation
Descriptor: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZT
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BU of 7rzt by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with S940F mutation
Descriptor: SARS-CoV-2 HR1 S940F linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZV
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BU of 7rzv by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with V1176F mutation
Descriptor: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZQ
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BU of 7rzq by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex
Descriptor: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TIK
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BU of 7tik by Molmil
Structure of the SARS-CoV-2 Omicron spike post-fusion bundle
Descriptor: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-01-13
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mispacking of the F87 sidechain drives aggregation-promoting conformational fluctuations in the subunit interfaces of the transthyretin tetramer.
Protein Sci., 33, 2024
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
3EPT
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BU of 3ept by Molmil
Structure of the rebeccamycin biosynthetic enzyme RebC with reduced flavin
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, RebC, SODIUM ION
Authors:Ryan, K.S, Drennan, C.L.
Deposit date:2008-09-30
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:The FAD cofactor of RebC shifts to an IN conformation upon flavin reduction
Biochemistry, 47, 2008
7RSM
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BU of 7rsm by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase (N346D/C348S/Y384F) in complex with o-Chlorophenylalanine and AMP-PNP
Descriptor: 2-chloro-L-phenylalanine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
Authors:Yang, K, Liu, W.
Deposit date:2021-08-11
Release date:2022-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Designed, Highly Efficient Pyrrolysyl-tRNA Synthetase Mutant Binds o-Chlorophenylalanine Using Two Halogen Bonds.
J.Mol.Biol., 434, 2022
7JP0
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BU of 7jp0 by Molmil
Crystal structure of Mpro with inhibitor r1
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-07
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Mpro with inhibitor r1
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