6PXJ
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![BU of 6pxj by Molmil](/molmil-images/mine/6pxj) | Crystal structure of human thrombin mutant I16T | 分子名称: | GLYCEROL, MAGNESIUM ION, Thrombin heavy chain, ... | 著者 | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | 登録日 | 2019-07-26 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
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6GAB
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![BU of 6gab by Molmil](/molmil-images/mine/6gab) | BACTERIORHODOPSIN, 460 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | 登録日 | 2018-04-11 | 公開日 | 2019-04-24 | 最終更新日 | 2019-07-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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8QEU
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![BU of 8qeu by Molmil](/molmil-images/mine/8qeu) | Crystal structure of ornithine transcarbamylase from Arabidopsis thaliana (AtOTC) in complex with ornithine | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, L-ornithine, ... | 著者 | Nielipinski, M, Pietrzyk-Brzezinska, A, Sekula, B. | 登録日 | 2023-09-01 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae . Front Plant Sci, 14, 2023
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7ZJM
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![BU of 7zjm by Molmil](/molmil-images/mine/7zjm) | Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7 | 分子名称: | Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ... | 著者 | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | 登録日 | 2022-04-11 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZHP
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![BU of 7zhp by Molmil](/molmil-images/mine/7zhp) | Crystal structure of TTBK1 in complex with compound 9 (7-005) | 分子名称: | 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-04-06 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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5NEY
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![BU of 5ney by Molmil](/molmil-images/mine/5ney) | Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa | 分子名称: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, CYS-TRD-TRP-LYD-LYS-LYD-LYS-LYD-TRP-TRD-CYS-ALA, ... | 著者 | Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R. | 登録日 | 2017-03-13 | 公開日 | 2017-09-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa. Chem Sci, 8, 2017
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6N4R
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![BU of 6n4r by Molmil](/molmil-images/mine/6n4r) | CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2 | 分子名称: | Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ... | 著者 | Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M. | 登録日 | 2018-11-20 | 公開日 | 2019-01-23 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin. Cell, 176, 2019
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4YIY
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![BU of 4yiy by Molmil](/molmil-images/mine/4yiy) | Structure of MRB1590 bound to AMP-PNP | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, kRNA Editing A6 Specific Protein | 著者 | Shaw, P.L.R, Schumacher, M.A. | 登録日 | 2015-03-02 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.016 Å) | 主引用文献 | Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold. Nucleic Acids Res., 43, 2015
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7ZJK
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![BU of 7zjk by Molmil](/molmil-images/mine/7zjk) | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | 分子名称: | CspZ | 著者 | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | 登録日 | 2022-04-11 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
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5NGR
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![BU of 5ngr by Molmil](/molmil-images/mine/5ngr) | Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION | 著者 | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | 登録日 | 2017-03-20 | 公開日 | 2017-10-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J. Med. Chem., 60, 2017
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4Y9P
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![BU of 4y9p by Molmil](/molmil-images/mine/4y9p) | PA3825-EAL Ca-CdG Structure | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | 登録日 | 2015-02-17 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
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6PZ1
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![BU of 6pz1 by Molmil](/molmil-images/mine/6pz1) | Crystal Structure of human Indoleamine 2,3-Dioxygenase 1 in complex with PF-06840003 in Active Site and Si site | 分子名称: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | 登録日 | 2019-07-31 | 公開日 | 2020-01-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase. J.Am.Chem.Soc., 141, 2019
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6G27
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![BU of 6g27 by Molmil](/molmil-images/mine/6g27) | X-ray structure of NSD3-PWWP1 in complex with compound 5 | 分子名称: | 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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8QYR
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![BU of 8qyr by Molmil](/molmil-images/mine/8qyr) | Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | 分子名称: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | 登録日 | 2023-10-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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6Q3Z
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![BU of 6q3z by Molmil](/molmil-images/mine/6q3z) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | 分子名称: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-04 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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6Q43
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![BU of 6q43 by Molmil](/molmil-images/mine/6q43) | Atomic resolution crystal structure of an ABA collagen heterotrimer | 分子名称: | GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ... | 著者 | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | 登録日 | 2018-12-05 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Atomic resolution crystal structure of an AAB collagen heterotrimer Nat.Chem.Biol., 2019
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6CJ6
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![BU of 6cj6 by Molmil](/molmil-images/mine/6cj6) | Structure of the poxvirus protein F9 | 分子名称: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | 著者 | Diesterbeck, U.S, Gittis, A.G, Garboczi, D.N, Moss, B. | 登録日 | 2018-02-26 | 公開日 | 2019-03-06 | 最終更新日 | 2019-09-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The 2.1 angstrom structure of protein F9 and its comparison to L1, two components of the conserved poxvirus entry-fusion complex. Sci Rep, 8, 2018
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6ZCO
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![BU of 6zco by Molmil](/molmil-images/mine/6zco) | Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2, crystal form II | 分子名称: | Nucleoprotein | 著者 | Zinzula, L, Basquin, J, Nagy, I, Bracher, A. | 登録日 | 2020-06-11 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.361 Å) | 主引用文献 | High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2. Biochem.Biophys.Res.Commun., 538, 2021
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5K7G
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![BU of 5k7g by Molmil](/molmil-images/mine/5k7g) | IRAK4 in complex with AZ3862 | 分子名称: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | 著者 | Ferguson, A.D. | 登録日 | 2016-05-26 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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6W5G
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![BU of 6w5g by Molmil](/molmil-images/mine/6w5g) | Class D beta-lactamase BAT-2 | 分子名称: | 1,2-ETHANEDIOL, BAT-2 beta-lactamase | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-03-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6NJS
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![BU of 6njs by Molmil](/molmil-images/mine/6njs) | Stat3 Core in complex with compound SD36 | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2019-01-04 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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6ZU8
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![BU of 6zu8 by Molmil](/molmil-images/mine/6zu8) | Crystal structure of human Brachyury G177D variant in complex with Afatinib | 分子名称: | Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION | 著者 | Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-07-21 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of human Brachyury G177D variant in complex with Afatinib To Be Published
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6W5Q
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![BU of 6w5q by Molmil](/molmil-images/mine/6w5q) | Structure of the globular C-terminal domain of P. aeruginosa LpoP | 分子名称: | Peptidoglycan synthase activator LpoP, SULFATE ION, TRIETHYLENE GLYCOL | 著者 | Caveney, N.A, Robb, C.S, Simorre, J.P, Strynadka, N.C.J. | 登録日 | 2020-03-13 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of the Peptidoglycan Synthase Activator LpoP in Pseudomonas aeruginosa. Structure, 28, 2020
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4YCK
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![BU of 4yck by Molmil](/molmil-images/mine/4yck) | |
6TCR
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![BU of 6tcr by Molmil](/molmil-images/mine/6tcr) | Crystal structure of the omalizumab Fab Ser81Arg, Gln83Arg and Leu158Pro light chain mutant | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Omalizumab Fab Ser81Arg, ... | 著者 | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | 登録日 | 2019-11-06 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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