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PDB: 2222 件

4YRN
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-bromopyridin-3-amine (Chem 475)
分子名称: 1,2-ETHANEDIOL, 6-bromopyridin-3-amine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRT
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BU of 4yrt by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(5-hydroxynaphthalen-2-yl)propanamide (Chem 1781)
分子名称: 1,2-ETHANEDIOL, HISTIDINE, Histidyl-tRNA synthetase, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
7T2F
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BU of 7t2f by Molmil
Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341
分子名称: HEEH mini protein HEEH_TK_rd5_0341
著者Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H.
登録日2021-12-04
公開日2022-10-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
4RW2
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Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J.
登録日2014-12-01
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization and use of the spent beam for serial operation of LCLS.
J.SYNCHROTRON RADIAT., 22, 2015
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
著者Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2014-12-01
公開日2015-01-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4YRG
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BU of 4yrg by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (6-bromopyridin-2-yl)methanol (Chem 149)
分子名称: (6-bromopyridin-2-yl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRQ
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BU of 4yrq by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-amino-2H-chromen-2-one (Chem 744)
分子名称: 1,2-ETHANEDIOL, 6-amino-2H-chromen-2-one, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2NY4
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BU of 2ny4 by Molmil
HIV-1 gp120 Envelope Glycoprotein (K231C, T257S, E268C, S334A, S375W) Complexed with CD4 and Antibody 17b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
7BZL
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BU of 7bzl by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol
分子名称: (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
著者Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S.
登録日2020-04-28
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TNJ
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BU of 4tnj by Molmil
RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A 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Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TTO
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BU of 4tto by Molmil
Quasi-racemic structure of [V25A] kalata B1
分子名称: D-kalata B1, Kalata-B1
著者Wang, C.K, King, G.J, Craik, D.J.
登録日2014-06-22
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3002 Å)
主引用文献Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds.
Angew.Chem.Int.Ed.Engl., 53, 2014
2NY7
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BU of 2ny7 by Molmil
HIV-1 gp120 Envelope Glycoprotein Complexed with the Broadly Neutralizing CD4-Binding-Site Antibody b12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY b12, HEAVY CHAIN, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
6IBM
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BU of 6ibm by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Rowland, R.J, Wu, L, Davies, G.J.
登録日2018-11-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
4TNI
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BU of 4tni by Molmil
RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A 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Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4YRC
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BU of 4yrc by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)
分子名称: 1,2-ETHANEDIOL, 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRM
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BU of 4yrm by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443)
分子名称: 1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4TNK
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BU of 4tnk by Molmil
RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A 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Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5.2 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4RWD
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BU of 4rwd by Molmil
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ...
著者Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2014-12-02
公開日2015-01-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4YP0
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BU of 4yp0 by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-aminoisoquinoline (Chem 79)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-12
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRE
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BU of 4yre by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (2-bromophenyl)methanol (Chem 145)
分子名称: (2-bromophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4TTM
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BU of 4ttm by Molmil
Racemic structure of kalata B1 (kB1)
分子名称: D-kalata B1, Kalata-B1
著者Wang, C.K, King, G.J, Craik, D.J.
登録日2014-06-22
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9001 Å)
主引用文献Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds.
Angew.Chem.Int.Ed.Engl., 53, 2014
6BZ4
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BU of 6bz4 by Molmil
Human IgG1 lacking complement-dependent cytotoxicity: hu3S193 Fc mutant K322A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Farrugia, W, Burvenich, I.G.J, Scott, A.M, Ramsland, P.A.
登録日2017-12-22
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Global conformational changes in IgG-Fc upon mutation of the FcRn-binding site are not associated with altered antibody-dependent effector functions.
Biochem. J., 475, 2018
6I7X
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BU of 6i7x by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with RT53
分子名称: 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, Bromodomain-containing protein 4
著者Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2018-11-19
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with RT53
To Be Published
6I81
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BU of 6i81 by Molmil
Crystal Structure of the second bromodomain of BRD2 in complex with RT56
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2, ...
著者Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2018-11-19
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure of the second bromodomain of BRD2 in complex with RT56
To Be Published
7CTS
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BU of 7cts by Molmil
Open form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation
分子名称: 1,4-DIETHYLENE DIOXIDE, Alpha/beta hydrolase family protein, BICINE, ...
著者Emori, M, Numoto, N, Senga, A, Bekker, G.J, Kamiya, N, Ito, N, Kawai, F, Oda, M.
登録日2020-08-20
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural basis of mutants of PET-degrading enzyme from Saccharomonospora viridis AHK190 with high activity and thermal stability.
Proteins, 89, 2021

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