3HSD
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![BU of 3hsd by Molmil](/molmil-images/mine/3hsd) | Crystal structure of E. coli HPPK(Y53A) | 分子名称: | CHLORIDE ION, GLYCEROL, HPPK, ... | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | 登録日 | 2009-06-10 | 公開日 | 2010-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.652 Å) | 主引用文献 | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK. To be Published
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7BCQ
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![BU of 7bcq by Molmil](/molmil-images/mine/7bcq) | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | 分子名称: | 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | 著者 | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | 登録日 | 2020-12-21 | 公開日 | 2021-09-22 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | 主引用文献 | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach. Proc.Natl.Acad.Sci.USA, 118, 2021
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6QBS
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![BU of 6qbs by Molmil](/molmil-images/mine/6qbs) | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | 分子名称: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | 著者 | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | 登録日 | 2018-12-21 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
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7V35
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![BU of 7v35 by Molmil](/molmil-images/mine/7v35) | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | 分子名称: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | 登録日 | 2021-08-10 | 公開日 | 2022-03-02 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors. Nat Commun, 13, 2022
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1MD2
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![BU of 1md2 by Molmil](/molmil-images/mine/1md2) | CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013 | 分子名称: | 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ... | 著者 | Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E. | 登録日 | 2002-08-06 | 公開日 | 2002-12-11 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin. J.Am.Chem.Soc., 124, 2002
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7LW1
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![BU of 7lw1 by Molmil](/molmil-images/mine/7lw1) | Human phosphofructokinase-1 liver type bound to activator NA-11 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Lynch, E.M, Kollman, J.M, Webb, B. | 登録日 | 2021-02-27 | 公開日 | 2022-01-26 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Selective activation of PFKL suppresses the phagocytic oxidative burst. Cell, 184, 2021
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6QDI
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![BU of 6qdi by Molmil](/molmil-images/mine/6qdi) | anti-sigma factor domain-containing protein from Clostridium clariflavum | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | 著者 | Voronov, M, Bayer, E.A, Livnah, O. | 登録日 | 2019-01-01 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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1MEP
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![BU of 1mep by Molmil](/molmil-images/mine/1mep) | Crystal Structure of Streptavidin Double Mutant S45A/D128A with Biotin: Cooperative Hydrogen-Bond Interactions in the Streptavidin-Biotin System. | 分子名称: | BIOTIN, Streptavidin | 著者 | Hyre, D.E, Le Trong, I, Merritt, E.A, Stenkamp, R.E, Green, N.M, Stayton, P.S. | 登録日 | 2002-08-08 | 公開日 | 2003-09-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Cooperative hydrogen bond interactions in the streptavidin-biotin system Protein Sci., 15, 2006
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1ULJ
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![BU of 1ulj by Molmil](/molmil-images/mine/1ulj) | Biphenyl dioxygenase (BphA1A2) in complex with the substrate | 分子名称: | BIPHENYL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Furusawa, Y, Nagarajan, V, Masai, E, Tanokura, M, Fukuda, M, Senda, T. | 登録日 | 2003-09-12 | 公開日 | 2004-09-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of the Terminal Oxygenase Component of Biphenyl Dioxygenase Derived from Rhodococcus sp. Strain RHA1 J.Mol.Biol., 342, 2004
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5VWV
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![BU of 5vwv by Molmil](/molmil-images/mine/5vwv) | Bak core latch dimer in complex with Bim-BH3 - Cubic | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | 著者 | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VX2
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![BU of 5vx2 by Molmil](/molmil-images/mine/5vx2) | Mcl-1 in complex with Bim-h3Pc-RT | 分子名称: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | 著者 | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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6QF3
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![BU of 6qf3 by Molmil](/molmil-images/mine/6qf3) | X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | 著者 | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | 登録日 | 2019-01-09 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.521 Å) | 主引用文献 | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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5VI4
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![BU of 5vi4 by Molmil](/molmil-images/mine/5vi4) | IL-33/ST2/IL-1RAcP ternary complex structure | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein, Interleukin-1 receptor-like 1, ... | 著者 | Guenther, S, Sundberg, E.J. | 登録日 | 2017-04-13 | 公開日 | 2017-09-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | 主引用文献 | IL-1 Family Cytokines Use Distinct Molecular Mechanisms to Signal through Their Shared Co-receptor. Immunity, 47, 2017
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6D1S
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![BU of 6d1s by Molmil](/molmil-images/mine/6d1s) | Crystal structure of an apo chimeric human alpha1GABAA receptor | 分子名称: | chimeric alpha1GABAA receptor | 著者 | Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P. | 登録日 | 2018-04-12 | 公開日 | 2018-08-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of neurosteroid anesthetic action on GABAAreceptors. Nat Commun, 9, 2018
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2C7U
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![BU of 2c7u by Molmil](/molmil-images/mine/2c7u) | Conflicting selective forces affect CD8 T-cell receptor contact sites in an HLA-A2 immunodominant HIV epitope. | 分子名称: | BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | 著者 | Iversen, A.K, Stewart-Jones, G, Learn, G.H, Christie, N, Sylvester-Hviid, C, Armitage, A.E, Kaul, R, Beattie, T, Lee, J.K, Li, Y, Chotiyarnwong, P, Dong, T, Xu, X, Luscher, M.A, MacDonald, K, Ullum, H, Klarlund-Pedersen, B, Skinhoj, P, Fugger, J.L, Buus, S, Mullins, J.I, Jones, E.Y, van der Merwe, P.A, McMichael, A.J. | 登録日 | 2005-11-29 | 公開日 | 2006-03-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Conflicting Selective Forces Affect T Cell Receptor Contacts in an Immunodominant Human Immunodeficiency Virus Epitope. Nat.Immunol., 7, 2006
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8WKZ
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![BU of 8wkz by Molmil](/molmil-images/mine/8wkz) | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S31 | 分子名称: | CALCIUM ION, Melanocortin receptor 4, OLEIC ACID, ... | 著者 | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | 登録日 | 2023-09-28 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design. J.Med.Chem., 67, 2024
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6W69
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![BU of 6w69 by Molmil](/molmil-images/mine/6w69) | The structure of F64, S172A Keap1-BTB domain | 分子名称: | Kelch-like ECH-associated protein 1 | 著者 | Mena, E.L, Gee, C.L, Kuriyan, J, Rape, M. | 登録日 | 2020-03-16 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structural basis for dimerization quality control. Nature, 586, 2020
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5A7P
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![BU of 5a7p by Molmil](/molmil-images/mine/5a7p) | Crystal structure of human JMJD2A in complex with compound 36 | 分子名称: | 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F9A
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![BU of 5f9a by Molmil](/molmil-images/mine/5f9a) | Blood group antigen binding adhesin BabA of Helicobacter pylori strain P436 in complex with blood group H Lewis b hexasaccharide | 分子名称: | Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | 登録日 | 2015-12-09 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori. Cell Host Microbe, 19, 2016
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8ZBO
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![BU of 8zbo by Molmil](/molmil-images/mine/8zbo) | Crystal structure of the biphotochromic fluorescent protein moxSAASoti (F97M variant) in its green on-state | 分子名称: | 1,2-ETHANEDIOL, F97M variant of the biphotochromic fluorescent protein moxSAASoti, NITRATE ION, ... | 著者 | Boyko, K.M, Matyuta, I.O, Marynich, N.K, Minyaev, M.E, Khadiyatova, A.A, Popov, V.O, Savitsky, A.P. | 登録日 | 2024-04-26 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Single-point substitution F97M leads to in cellulo crystallization of the biphotochromic protein moxSAASoti. Biochem.Biophys.Res.Commun., 732, 2024
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5AJH
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![BU of 5ajh by Molmil](/molmil-images/mine/5ajh) | Crystal structure of Fusarium oxysporum cutinase | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CUTINASE | 著者 | Dimarogona, M, Nikolaivits, E, Kanelli, M, Christakopoulos, P, Sandgren, M, Topakas, E. | 登録日 | 2015-02-24 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Functional Studies of a Fusarium Oxysporum Cutinase with Polyethylene Terephthalate Modification Potential. Biochim.Biophys.Acta, 1850, 2015
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1MZC
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![BU of 1mzc by Molmil](/molmil-images/mine/1mzc) | Co-Crystal Structure Of Human Farnesyltransferase With Farnesyldiphosphate and Inhibitor Compound 33a | 分子名称: | 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE, FARNESYL DIPHOSPHATE, Protein Farnesyltransferase alpha Subunit, ... | 著者 | deSolms, S.J, Ciccarone, T.M, MacTough, S.C, Shaw, A.W, Buser, C.A, Ellis-Hutchings, M, Fernandes, C, Hamilton, K.A, Huber, H.E, Kohl, N.E, Lobell, R.B, Robinson, R.G, Tsou, N.N, Walsh, E.S, Graham, S.L, Beese, L.S, Taylor, J.S. | 登録日 | 2002-10-07 | 公開日 | 2003-07-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual Protein Farnesyltransferase-Geranylgeranyltransferase-I Inhibitors as Potential Cancer Chemotherapeutic Agents. J.Med.Chem., 46, 2003
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5ACH
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![BU of 5ach by Molmil](/molmil-images/mine/5ach) | X-ray Structure of LPMO | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | 登録日 | 2015-08-17 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases. Nat. Chem. Biol., 12, 2016
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7TUD
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![BU of 7tud by Molmil](/molmil-images/mine/7tud) | Crystal structure of HLA-B*44:05 (T73C) with 6mer EEFGRC and dipeptide GL | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, EEFGRC peptide, ... | 著者 | Jiang, J, Natarajan, K, Kim, E, Boyd, L.F, Margulies, D.H. | 登録日 | 2022-02-02 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
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1L6X
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![BU of 1l6x by Molmil](/molmil-images/mine/1l6x) | FC FRAGMENT OF RITUXIMAB BOUND TO A MINIMIZED VERSION OF THE B-DOMAIN FROM PROTEIN A CALLED Z34C | 分子名称: | IMMUNOGLOBULIN GAMMA-1 HEAVY CHAIN CONSTANT REGION, Minimized B-domain of Protein A Z34C, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Idusogie, E.E, Presta, L.G, Santoro-Gazzano, H, Totpal, K, Wong, P.Y, Ultsch, M, Meng, Y.G, Mullkerrin, M.G. | 登録日 | 2002-03-14 | 公開日 | 2002-04-10 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Mapping of the C1q binding site on rituxan, a chimeric antibody with a human IgG1 Fc. J.Immunol., 164, 2000
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