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3ANW
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BU of 3anw by Molmil
A protein complex essential initiation of DNA replication
分子名称: Putative uncharacterized protein
著者Oyama, T, Shirai, T, Nagasawa, N, Ishino, Y, Morikawa, K.
登録日2010-09-10
公開日2011-07-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Architectures of archaeal GINS complexes, essential DNA replication initiation factors
Bmc Biol., 9, 2011
2HOB
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BU of 2hob by Molmil
Crystal structure of SARS-CoV main protease with authentic N and C-termini in complex with a Michael acceptor N3
分子名称: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Replicase polyprotein 1ab
著者Xue, X, Yang, H, Shen, W, Zhao, Q, Li, J, Rao, Z.
登録日2006-07-14
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
4AGC
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl- vinyl)-1H-indazol-6-ylsulfanyl)-benzamide)
分子名称: AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者Mctigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Kania, R.S.
登録日2012-01-26
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ASE
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BU of 4ase by Molmil
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951)
分子名称: TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A.
登録日2012-04-30
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
7VH8
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Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Zhao, Y, Zhang, Q, Yang, H, Rao, Z.
登録日2021-09-21
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
4ASD
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BU of 4asd by Molmil
Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006)
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A.
登録日2012-04-30
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
8EXD
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BU of 8exd by Molmil
Crystal structure of Aspergillus fumigatus sterylglucosidase A
分子名称: Sterylglucosidase A (SglA)
著者Pereira de Sa, N, Del Poeta, M, Airola, M.V.
登録日2022-10-25
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Targeting Sterylglucosidase A to Treat Aspergillus fumigatus Infections.
Mbio, 14, 2023
1N75
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BU of 1n75 by Molmil
Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with ATP.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Glutamyl-tRNA synthetase, MAGNESIUM ION
著者Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-11-12
公開日2003-02-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding
EMBO J., 22, 2003
1N78
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BU of 1n78 by Molmil
Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with tRNA(Glu) and glutamol-AMP.
分子名称: GLUTAMOL-AMP, Glutamyl-tRNA synthetase, MAGNESIUM ION, ...
著者Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-11-13
公開日2003-02-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding
EMBO J., 22, 2003
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-08-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
4AGD
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BU of 4agd by Molmil
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide)
分子名称: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A.
登録日2012-01-26
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
1N77
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BU of 1n77 by Molmil
Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with tRNA(Glu) and ATP.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Glutamyl-tRNA synthetase, MAGNESIUM ION, ...
著者Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-11-13
公開日2003-02-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding
EMBO J., 22, 2003
8TYO
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BU of 8tyo by Molmil
Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
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, Spike glycoprotein
著者Bruch, E.M, Rak, A.
登録日2023-08-25
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
8TYL
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Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Bruch, E.M, Rak, A.
登録日2023-08-25
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
5HG7
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BU of 5hg7 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988)
分子名称: 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one, Epidermal growth factor receptor, SULFATE ION
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-01-27
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
4J20
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X-ray structure of the cytochrome c-554 from chlorobaculum tepidum
分子名称: Cytochrome c-555, HEME B/C, ISOPROPYL ALCOHOL, ...
著者Unno, M, Yu, L.J, Wang-otomo, Z.Y.
登録日2013-02-04
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure analysis and characterization of the cytochrome c-554 from thermophilic green sulfur photosynthetic bacterium Chlorobaculum tepidum
Photosynth.Res., 118, 2013
5HG5
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BU of 5hg5 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
6M03
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The crystal structure of COVID-19 main protease in apo form
分子名称: 3C-like proteinase
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z.
登録日2020-02-19
公開日2020-03-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
5HG9
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BU of 5hg9 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
分子名称: 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG8
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EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
1D56
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ALTERNATIVE STRUCTURES FOR ALTERNATING POLY(DA-DT) TRACTS: THE STRUCTURE OF THE B-DNA DECAMER C-G-A-T-A-T-A-T-C-G
分子名称: CALCIUM ION, DNA (5'-D(*CP*GP*AP*TP*AP*TP*AP*TP*CP*G)-3')
著者Yuan, H, Quintana, J, Dickerson, R.E.
登録日1992-02-19
公開日1992-09-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Alternative structures for alternating poly(dA-dT) tracts: the structure of the B-DNA decamer C-G-A-T-A-T-A-T-C-G.
Biochemistry, 31, 1992
1D57
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BU of 1d57 by Molmil
ALTERNATIVE STRUCTURES FOR ALTERNATING POLY(DA-DT) TRACTS: THE STRUCTURE OF THE B-DNA DECAMER C-G-A-T-A-T-A-T-C-G
分子名称: DNA (5'-D(*CP*GP*AP*TP*AP*TP*AP*TP*CP*G)-3'), MAGNESIUM ION
著者Yuan, H, Quintana, J, Dickerson, R.E.
登録日1992-02-19
公開日1992-09-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alternative structures for alternating poly(dA-dT) tracts: the structure of the B-DNA decamer C-G-A-T-A-T-A-T-C-G.
Biochemistry, 31, 1992
5FD2
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B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
分子名称: 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine, Serine/threonine-protein kinase B-raf
著者Whittington, D.A, Epstein, L.F.
登録日2015-12-15
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
2BM0
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Ribosomal elongation factor G (EF-G) Fusidic acid resistant mutant T84A
分子名称: ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T.
登録日2005-03-09
公開日2005-05-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights Into Fusidic Acid Resistance and Sensitivity in EF-G
J.Mol.Biol., 348, 2005
2BM1
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Ribosomal elongation factor G (EF-G) Fusidic acid resistant mutant G16V
分子名称: ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T.
登録日2005-03-09
公開日2005-05-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights Into Fusidic Acid Resistance and Sensitivity in EF-G
J.Mol.Biol., 348, 2005

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