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6W2V
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Junction 23, DHR14-DHR18
分子名称: Junction 23 DHR14-DHR18
著者Bick, M.J, Brunette, T.J, Baker, D.
登録日2020-03-08
公開日2020-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Modular repeat protein sculpting using rigid helical junctions.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W6W
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BU of 6w6w by Molmil
Cryo-EM structure of CST bound to telomeric single-stranded DNA
分子名称: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
著者Lim, C, Barbour, A.T, Zaug, A.J, Goodrich, K.J, McKay, A.E, Wuttke, D.S, Cech, T.R.
登録日2020-03-17
公開日2020-06-03
最終更新日2020-06-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The structure of human CST reveals a decameric assembly bound to telomeric DNA.
Science, 368, 2020
6W4X
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Holocomplex of E. coli class Ia ribonucleotide reductase with GDP and TTP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ...
著者Kang, G, Taguchi, A, Stubbe, J, Drennan, C.
登録日2020-03-11
公開日2020-04-08
最終更新日2020-05-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of a trapped radical transfer pathway within a ribonucleotide reductase holocomplex.
Science, 368, 2020
4Q1B
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BU of 4q1b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
分子名称: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3PT6
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Crystal structure of mouse DNMT1(650-1602) in complex with DNA
分子名称: DNA (5'-D(*CP*CP*TP*GP*CP*GP*GP*AP*GP*GP*CP*TP*CP*AP*CP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*GP*TP*GP*AP*GP*CP*CP*TP*CP*CP*GP*CP*AP*GP*G)-3'), DNA (cytosine-5)-methyltransferase 1, ...
著者Song, J, Patel, D.J.
登録日2010-12-02
公開日2010-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of DNMT1-DNA complex reveals a role for autoinhibition in maintenance DNA methylation.
Science, 331, 2011
4Q19
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Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL}
分子名称: 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3Q24
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X-ray crystal structure of the N4 mini-VRNAP and P2_7a promoter transcription initiation complex with pppGpG and pyrophosphate: product complex
分子名称: DIHYDROGENPHOSPHATE ION, DNA (5'-D(*TP*GP*CP*CP*TP*CP*CP*CP*AP*GP*GP*CP*AP*TP*CP*CP*AP*AP*AP*AP*GP*AP*AP*GP*CP*GP*GP*AP*GP*CP*TP*TP*CP*TP*TP*C)-3'), GUANOSINE-5'-MONOPHOSPHATE, ...
著者Gleghorn, M.L, Murakami, K.S.
登録日2010-12-19
公開日2011-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献X-ray crystal structures elucidate the nucleotidyl transfer reaction of transcript initiation using two nucleotides.
Proc.Natl.Acad.Sci.USA, 108, 2011
3Q23
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BU of 3q23 by Molmil
X-ray crystal structure of the N4 mini-VRNAP and P2_7a promoter transcription initiation complex with GMPCPP and Manganese: sustrate complex II
分子名称: DIHYDROGENPHOSPHATE ION, DNA (5'-D(*TP*GP*CP*CP*TP*CP*CP*CP*AP*GP*GP*CP*AP*TP*CP*CP*AP*AP*AP*AP*GP*AP*AP*GP*CP*GP*GP*AP*GP*CP*TP*TP*CP*TP*TP*C)-3'), MANGANESE (II) ION, ...
著者Gleghorn, M.L, Murakami, K.S.
登録日2010-12-19
公開日2011-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structures elucidate the nucleotidyl transfer reaction of transcript initiation using two nucleotides.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PI5
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BU of 3pi5 by Molmil
Crystal Structure of Human Beta Secretase in Complex with BFG356
分子名称: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
著者Rondeau, J.M.
登録日2010-11-05
公開日2011-03-23
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4OZS
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BU of 4ozs by Molmil
RNA binding protein
分子名称: Alpha solenoid protein
著者Gully, B.S, Bond, C.S.
登録日2014-02-19
公開日2015-04-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The design and structural characterization of a synthetic pentatricopeptide repeat protein.
Acta Crystallogr.,Sect.D, 71, 2015
3QGY
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BU of 3qgy by Molmil
Crystal structure of ITK inhibitor complex
分子名称: 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide, N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide, Tyrosine-protein kinase ITK/TSK
著者Brown, K, Cheetham, G.M.T.
登録日2011-01-25
公開日2011-06-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors
J.Med.Chem., 54, 2011
4QLB
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BU of 4qlb by Molmil
Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin
分子名称: GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ...
著者Zeqiraj, E, Judd, A, Sicheri, F.
登録日2014-06-11
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the recruitment of glycogen synthase by glycogenin.
Proc.Natl.Acad.Sci.USA, 111, 2014
3OC5
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BU of 3oc5 by Molmil
Crystal Structure of the vibrio cholerae secreted colonization factor TcpF
分子名称: Toxin coregulated pilus biosynthesis protein F
著者Craig, L, Kolappan, S, Yuen, A.S.W.
登録日2010-08-09
公開日2011-04-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Vibrio cholerae Colonization Factor TcpF and Identification of a Functional Immunogenic Site.
J.Mol.Biol., 409, 2011
4Q1E
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BU of 4q1e by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
分子名称: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ...
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4PY8
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BU of 4py8 by Molmil
Crystal structure of Fab 3.1 in complex with the 1918 influenza virus hemagglutinin
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, Hemagglutinin HA1 chain, ...
著者Dreyfus, C.
登録日2014-03-26
公開日2014-05-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody.
J.Virol., 88, 2014
4Q1A
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BU of 4q1a by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol}
分子名称: 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3OC8
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BU of 3oc8 by Molmil
Crystal Structure of the C-terminal Domain of the Vibrio cholerae soluble colonization factor TcpF
分子名称: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, SULFATE ION, ...
著者Craig, L, Kolappan, S, Yuen, A.S.W.
登録日2010-08-09
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Vibrio cholerae Colonization Factor TcpF and Identification of a Functional Immunogenic Site.
J.Mol.Biol., 409, 2011
4Q18
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Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol]
分子名称: 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3RVG
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BU of 3rvg by Molmil
Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor
分子名称: 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2
著者Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R.
登録日2011-05-06
公開日2012-03-21
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
J.Med.Chem., 54, 2011
8F4F
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BU of 8f4f by Molmil
RT XFEL structure of Photosystem II 500 microseconds after the third illumination at 2.03 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4H
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RT XFEL structure of Photosystem II 1200 microseconds after the third illumination at 2.10 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8EZ5
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RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-10-31
公開日2023-03-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4C
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BU of 8f4c by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.00 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4I
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RT XFEL structure of Photosystem II 2000 microseconds after the third illumination at 2.00 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4K
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RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.16 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023

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