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4UBD
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BU of 4ubd by Molmil
Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA
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Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J.
登録日2014-08-12
公開日2015-06-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
4UC0
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Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
分子名称: HYPOXANTHINE, Purine nucleoside phosphorylase
著者Cameron, S.A, Sampathkumar, P, Ramagopal, U.A, Attonito, J, Ahmed, M, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-08-13
公開日2014-10-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
To be published
4U7P
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Crystal structure of DNMT3A-DNMT3L complex
分子名称: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y.
登録日2014-07-31
公開日2014-11-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.821 Å)
主引用文献Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
4U7Q
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Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6
分子名称: N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease
著者Pachl, P, Rezacova, P, Schimer, J.
登録日2014-07-31
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor.
Nat Commun, 6, 2015
4U7V
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Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor
分子名称: BETA-MERCAPTOETHANOL, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease
著者Pachl, P, Rezacova, P, Schimer, J.
登録日2014-07-31
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor.
Nat Commun, 6, 2015
4V82
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Crystal structure of cyanobacterial Photosystem II in complex with terbutryn
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Gabdulkhakov, A, Broser, M, Guskov, A, Kern, J, Glockner, C, Muh, F, Saenger, W, Zouni, A.
登録日2010-11-30
公開日2014-07-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of cyanobacterial photosystem II Inhibition by the herbicide terbutryn
J.Biol.Chem., 286, 2011
7NHQ
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Structure of PSII-I prime (PSII with Psb28, and Psb34)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M.
登録日2021-02-11
公開日2021-05-05
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structural insights into photosystem II assembly.
Nat.Plants, 7, 2021
7NHP
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BU of 7nhp by Molmil
Structure of PSII-I (PSII with Psb27, Psb28, and Psb34)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M.
登録日2021-02-11
公開日2021-05-05
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Structural insights into photosystem II assembly.
Nat.Plants, 7, 2021
7NHO
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BU of 7nho by Molmil
Structure of PSII-M
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M.
登録日2021-02-11
公開日2021-05-05
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural insights into photosystem II assembly.
Nat.Plants, 7, 2021
4TYM
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Crystal structure of purine nucleoside phosphorylase from Streptococcus agalactiae 2603V/R, NYSGRC Target 030935
分子名称: Purine nucleoside phosphorylase DeoD-type, SULFATE ION
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-07-08
公開日2014-07-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Crystal structure of purine nucleoside phosphorylase from Streptococcus agalactiae 2603V/R, NYSGRC Target 030935.
To Be Published
4U26
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BU of 4u26 by Molmil
Crystal structure of the E. coli ribosome bound to dalfopristin and quinupristin.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
登録日2014-07-16
公開日2014-07-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4U7O
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BU of 4u7o by Molmil
Active histidine kinase bound with ATP
分子名称: AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein
著者Cai, Y, Hu, X, Sang, J.
登録日2014-07-31
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
4TXS
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BU of 4txs by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: (4-hydroxyphenyl)acetonitrile, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-07
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TY8
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BU of 4ty8 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 6-methyl-2H-chromen-2-one, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TYT
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BU of 4tyt by Molmil
Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ...
著者Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J.
登録日2014-07-09
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4UWK
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ...
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWL
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWH
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4V69
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Ternary complex-bound E.coli 70S ribosome.
分子名称: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J.
登録日2008-12-11
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis
Proc.Natl.Acad.Sci.USA, 106, 2009
4UU9
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Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody
分子名称: COMPLEMENT C5, MEDI7814, SULFATE ION
著者Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T.
登録日2014-07-25
公開日2015-08-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors.
MAbs, 10, 2018
4V36
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The structure of L-PGS from Bacillus licheniformis
分子名称: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSYL-TRNA-DEPENDENT L-YSYL-PHOSPHATIDYLGYCEROL SYNTHASE
著者Krausze, J, Hebecker, S, Heinz, D.W, Moser, J.
登録日2014-10-16
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V35
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The Structure of A-PGS from Pseudomonas aeruginosa
分子名称: ACETATE ION, ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CALCIUM ION, ...
著者Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J.
登録日2014-10-16
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V34
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The Structure of A-PGS from Pseudomonas aeruginosa (SeMet derivative)
分子名称: ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CHLORIDE ION, SULFATE ION
著者Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J.
登録日2014-10-16
公開日2015-08-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
8ZCA
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Crystal structure of human CD47 ECD bound to Fab of Hu1C8
分子名称: 1C8 Fab heavy chain, 1C8 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Z, Ding, J.
登録日2024-04-29
公開日2025-05-07
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An anti-CD47 antibody binds to a distinct epitope in a novel metal ion-dependent manner to minimize cross-linking of red blood cells.
J.Biol.Chem., 2025

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件を2025-07-09に公開中

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