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6W1R
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RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 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Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
7RF5
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RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF1
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RT XFEL structure of Photosystem II averaged across all S-states at 1.89 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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF6
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RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF4
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RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF2
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RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom
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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF8
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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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF3
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BU of 7rf3 by Molmil
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF7
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BU of 7rf7 by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination 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Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
5DAJ
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BU of 5daj by Molmil
Crystal structure of NalD, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa
分子名称: NalD
著者Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H.
登録日2015-08-20
公開日2016-04-20
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa
Mol.Microbiol., 100, 2016
5H9T
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Crystal structure of native NalD at resolution of 2.9, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa
分子名称: NalD
著者Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H.
登録日2015-12-29
公開日2016-04-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa.
Mol. Microbiol., 100, 2016
6IDJ
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BU of 6idj by Molmil
Crystal structure of human DHODH in complex with ferulenol
分子名称: 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S.
登録日2018-09-10
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
6VL6
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BU of 6vl6 by Molmil
De novo designed tetrahedral nanoparticle T33_dn2 presenting BG505 SOSIP trimers
分子名称: T33_dn2A, T33_dn2B
著者Ward, A.B, Antanasijevic, A.
登録日2020-01-22
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
2HZ8
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BU of 2hz8 by Molmil
QM/MM structure refined from NMR-structure of a single chain diiron protein
分子名称: De novo designed diiron protein, ZINC ION
著者Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F.
登録日2006-08-08
公開日2007-07-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
5D38
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BU of 5d38 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
分子名称: De novo kemp eliminase KE07 round 7-2
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.427 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
To Be Published
5D2V
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BU of 5d2v by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 4 Wild Type
分子名称: De novo designed kemp eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published
5D33
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BU of 5d33 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
分子名称: de novo kemp eliminase KE07 round 7
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
To Be Published
5D32
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BU of 5d32 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
分子名称: De novo kemp eliminase KE07 round 6
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
To Be Published
5D37
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BU of 5d37 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
分子名称: De novo kemp eliminase KE07 round 7
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
To Be Published
1JJK
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BU of 1jjk by Molmil
Selenomethionine Substitution of Orotidine-5'-monophosphate Decarboxylase from E. coli Causes a Change in Crystal Contacts and Space Group
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
著者Poulsen, J.-C.N, Harris, P, Jensen, K.F, Larsen, S.
登録日2001-07-06
公開日2001-08-01
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Selenomethionine substitution of orotidine-5'-monophosphate decarboxylase causes a change in crystal contacts and space group.
Acta Crystallogr.,Sect.D, 57, 2001
6J3B
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BU of 6j3b by Molmil
Crystal structure of human DHODH in complex with inhibitor 1289
分子名称: (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one, ACETATE ION, CHLORIDE ION, ...
著者Yu, Y, Chen, Q.
登録日2019-01-04
公開日2019-08-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode.
Febs Open Bio, 9, 2019
8VEI
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BU of 8vei by Molmil
De novo designed colic acid binder CHD_r1
分子名称: CHD_r1
著者Bera, A.K, An, L, Baker, D.
登録日2023-12-19
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Binding and sensing diverse small molecules using shape complementary pseudocycles
To Be Published
8VEJ
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BU of 8vej by Molmil
De novo designed cholic acid binder: CHD_buttress
分子名称: CHD_buttress, CHOLIC ACID
著者Bera, A.K, Tran, L, Kang, A, Baker, D.
登録日2023-12-19
公開日2024-07-17
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Binding and sensing diverse small molecules using shape complementary pseudocycles
To Be Published
8I9O
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BU of 8i9o by Molmil
ecCTPS filament bound with CTP, NADH, DON
分子名称: 5-OXO-L-NORLEUCINE, ADENINE, CTP synthase, ...
著者Guo, C.J, Liu, J.L.
登録日2023-02-07
公開日2024-02-14
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Filamentation and inhibition of prokaryotic CTP synthase with ligands.
Mlife, 3, 2024
6AJ5
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BU of 6aj5 by Molmil
Crystal structure of ligand-free type DHODH from Eimeria tenella
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S.
登録日2018-08-27
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020

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