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6FOY
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The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
分子名称: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6HLK
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Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
分子名称: Redirecting phage packaging protein C (RppC)
著者Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
登録日2018-09-11
公開日2019-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
7M78
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Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
登録日2021-03-26
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
7M75
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Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
登録日2021-03-26
公開日2021-11-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
7M76
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Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
登録日2021-03-26
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
6E5G
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Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
分子名称: 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one, Transcriptional enhancer factor TEF-4
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
登録日2018-07-20
公開日2019-01-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
7U7O
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Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional T-A rich sequence.
分子名称: DNA (5'-D(A*TP*AP*AP*TP*TP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*TP*AP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*AP*AP*T)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2022-03-07
公開日2023-03-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7U6K
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Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2022-03-04
公開日2023-03-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UOG
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Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and asymmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*CP*CP*GP*CP*CP*TP*T)-3', DNA (5'-D(GP*TP*AP*AP*GP*GP*CP*GP*GP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*G)-3', MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2022-04-12
公開日2023-04-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UXY
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Isoreticular, interpenetrating co-crystal of protein variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*P*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*P*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Snow, C.D.
登録日2022-05-06
公開日2023-05-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UFX
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BU of 7ufx by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively.
分子名称: DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ...
著者Ward, A.R, Shields, E.T, Snow, C.D.
登録日2022-03-23
公開日2023-03-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UR0
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BU of 7ur0 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional T-A rich sequence, respectively.
分子名称: DNA (5'-D(*AP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*TP*AP*AP*TP*T)-3'), DNA (5'-D(A*GP*TP*AP*AP*TP*TP*AP*CP*CP*G)-3'), ...
著者Orun, A.R, Snow, C.D.
登録日2022-04-20
公開日2023-04-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
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
4TNI
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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
4TNK
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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2024-10-23
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
4TNH
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RT XFEL structure of Photosystem II in the dark state at 4.9 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2024-10-23
実験手法X-RAY DIFFRACTION (4.900007 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNL
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1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL
分子名称: CALCIUM ION, Thermolysin, ZINC ION
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 (1.8 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
6RPQ
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Crystal structure of PhoCDC21-1 intein
分子名称: Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein
著者Beyer, H.M, Mikula, K.M, Iwai, H.
登録日2019-05-14
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
6RPP
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Crystal structure of PabCDC21-1 intein
分子名称: ACETATE ION, Cell division control protein, DI(HYDROXYETHYL)ETHER
著者Mikula, K.M, Beyer, H.M, Iwai, H.
登録日2019-05-14
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
6XA9
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SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
分子名称: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
著者Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
登録日2020-06-04
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
4FE1
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Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
登録日2012-05-29
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.9228 Å)
主引用文献Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
6PW8
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Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
分子名称: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
著者Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
登録日2019-07-22
公開日2020-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
5FAL
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BU of 5fal by Molmil
Crystal structure of PvHCT in complex with CoA and p-coumaroyl-shikimate
分子名称: (3~{R},4~{R},5~{R})-5-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid, COENZYME A, GLYCEROL, ...
著者Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D.
登録日2015-12-11
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin.
Plant Cell.Physiol., 57, 2016
8PXV
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Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
分子名称: Beta-N-acetylhexosaminidase, GLYCEROL, SODIUM ION, ...
著者Weikum, J, Jensen, M, Abou Hachem, M, Morth, J.P.
登録日2023-07-24
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXU
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Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
分子名称: Beta-N-acetylhexosaminidase, CACODYLATE ION
著者Jensen, M, Abou Hachem, M, Morth, J.P.
登録日2023-07-24
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024

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