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8DDI
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166N Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8DDM
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BU of 8ddm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
6L8Q
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BU of 6l8q by Molmil
Complex structure of bat CD26 and MERS-RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Yuan, Y.
登録日2019-11-07
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Basis of Binding between Middle East Respiratory Syndrome Coronavirus and CD26 from Seven Bat Species.
J.Virol., 94, 2020
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
3QWX
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CED-2 1-174
分子名称: Cell death abnormality protein 2, SULFATE ION
著者Kang, Y, Sun, J, Liu, Y.
登録日2011-02-28
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of the cell corpse engulfment protein CED-2 in Caenorhabditis elegans.
Biochem.Biophys.Res.Commun., 410, 2011
3IGB
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BU of 3igb by Molmil
Bace-1 with Compound 3
分子名称: 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Beta-secretase 1
著者Olland, A.M.
登録日2009-07-27
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52, 2009
3IN4
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BU of 3in4 by Molmil
Bace1 with Compound 38
分子名称: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IN3
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Bace1 with Compound 30
分子名称: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
6KUZ
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BU of 6kuz by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01
分子名称: 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J.
登録日2019-09-03
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
7M71
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BU of 7m71 by Molmil
SARS-CoV-2 Spike:5A6 Fab complex I focused refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ...
著者Asarnow, D, Cheng, Y.
登録日2021-03-26
公開日2021-05-26
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7M7B
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SARS-CoV-2 Spike:Fab 3D11 complex focused refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ...
著者Asarnow, D, Cheng, Y.
登録日2021-03-27
公開日2021-05-26
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
3LHG
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BU of 3lhg by Molmil
Bace1 in complex with the aminohydantoin Compound 4g
分子名称: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2010-01-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7M8E
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BU of 7m8e by Molmil
E.coli RNAP-RapA elongation complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Shi, W, Liu, B.
登録日2021-03-29
公開日2021-08-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for activation of Swi2/Snf2 ATPase RapA by RNA polymerase.
Nucleic Acids Res., 49, 2021
7JQC
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BU of 7jqc by Molmil
SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex
分子名称: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
著者Yuan, S, Xiong, Y.
登録日2020-08-10
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7JQB
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SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex
分子名称: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
著者Yuan, S, Xiong, Y.
登録日2020-08-10
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
著者Skene, R.J, Lane, W.
登録日2021-01-21
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
7KQB
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BU of 7kqb by Molmil
SARS-CoV-2 spike glycoprotein:Fab 5A6 complex I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 5A6 heavy chain, Fab 5A6 light chain, ...
著者Asarnow, D, Charles, C, Cheng, Y.
登録日2020-11-14
公開日2021-05-26
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7KQE
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BU of 7kqe by Molmil
SARS-CoV-2 spike glycoprotein:Fab 3D11 complex
分子名称: Fab 3D11 heavy chain, Fab 3D11 light chain, Spike glycoprotein
著者Asarnow, D, Charles, C, Cheng, Y.
登録日2020-11-15
公開日2021-05-26
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
2FEK
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BU of 2fek by Molmil
Structure of a protein tyrosine phosphatase
分子名称: Low molecular weight protein-tyrosine-phosphatase wzb
著者Lescop, E, Jin, C.
登録日2005-12-16
公開日2006-05-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The solution structure of Escherichia coli Wzb reveals a novel substrate recognition mechanism of prokaryotic low molecular weight protein-tyrosine phosphatases
J.Biol.Chem., 281, 2006
5KUC
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BU of 5kuc by Molmil
Crystal structure of trypsin activated Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E.
登録日2016-07-13
公開日2016-08-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
5KUD
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BU of 5kud by Molmil
Crystal structure of full length Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K.
登録日2016-07-13
公開日2016-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
5ITI
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A cynobacterial PP2C (tPphA) structure
分子名称: CALCIUM ION, Protein serin-threonin phosphatase
著者Su, J.Y.
登録日2016-03-16
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 6, 2016
5D2U
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Crystal structure of tPphA Variant - H39A
分子名称: CALCIUM ION, Protein serin-threonin phosphatase
著者Su, J.
登録日2015-08-06
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 2016
6OCF
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BU of 6ocf by Molmil
The crystal structure of VASH1-SVBP complex
分子名称: CHLORIDE ION, GLYCEROL, Small vasohibin-binding protein, ...
著者Li, F, Luo, X, Yu, H.
登録日2019-03-23
公開日2019-06-26
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structural basis of tubulin detyrosination by vasohibins.
Nat.Struct.Mol.Biol., 26, 2019
2HVJ
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Crystal structure of KcsA-Fab-TBA complex in low K+
分子名称: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, NONAN-1-OL, POTASSIUM ION, ...
著者Zhou, Y.
登録日2006-07-28
公開日2007-02-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel.
J.Mol.Biol., 366, 2007

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