7PY2
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![BU of 7py2 by Molmil](/molmil-images/mine/7py2) | Structure of pathological TDP-43 filaments from ALS with FTLD | 分子名称: | TAR DNA-binding protein 43 | 著者 | Arseni, D, Hasegawa, H, Murzin, A.G, Kametani, F, Arai, M, Yoshida, M, Falcon, B. | 登録日 | 2021-10-08 | 公開日 | 2021-12-15 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.59 Å) | 主引用文献 | Structure of pathological TDP-43 filaments from ALS with FTLD. Nature, 601, 2022
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8FG2
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![BU of 8fg2 by Molmil](/molmil-images/mine/8fg2) | SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients | 分子名称: | Nucleoprotein | 著者 | Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. | 登録日 | 2022-12-12 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-11 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests. Microsc Microanal, 29, 2023
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6S26
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![BU of 6s26 by Molmil](/molmil-images/mine/6s26) | Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | 著者 | Boura, E, Smola, M, Brynda, J. | 登録日 | 2019-06-20 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations. J.Med.Chem., 62, 2019
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5AQI
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![BU of 5aqi by Molmil](/molmil-images/mine/5aqi) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQK
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![BU of 5aqk by Molmil](/molmil-images/mine/5aqk) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5K56
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![BU of 5k56 by Molmil](/molmil-images/mine/5k56) | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | 著者 | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | 登録日 | 2016-05-23 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | Structural studies of human muscle FBPase To Be Published
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5AQQ
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![BU of 5aqq by Molmil](/molmil-images/mine/5aqq) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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6B3J
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![BU of 6b3j by Molmil](/molmil-images/mine/6b3j) | 3.3 angstrom phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex | 分子名称: | Exendin-P5, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Liang, Y.L, Khoshouei, M, Glukhova, A, Furness, S.G.B, Koole, C, Zhao, P, Clydesdale, L, Thal, D.M, Radjainia, M, Danev, R, Baumeister, W, Wang, M.W, Miller, L.J, Christopoulos, A, Sexton, P.M, Wootten, D. | 登録日 | 2017-09-22 | 公開日 | 2018-02-21 | 最終更新日 | 2020-01-15 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex. Nature, 555, 2018
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5AQR
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![BU of 5aqr by Molmil](/molmil-images/mine/5aqr) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5ARD
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![BU of 5ard by Molmil](/molmil-images/mine/5ard) | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | 分子名称: | 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, GLYCEROL, ... | 著者 | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | 登録日 | 2015-09-24 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase To be Published
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3KFU
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![BU of 3kfu by Molmil](/molmil-images/mine/3kfu) | Crystal structure of the transamidosome | 分子名称: | Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, Glutamyl-tRNA(Gln) amidotransferase subunit A, Glutamyl-tRNA(Gln) amidotransferase subunit C, ... | 著者 | Blaise, M, Bailly, M, Frechin, M, Thirup, S, Becker, H.D, Kern, D. | 登録日 | 2009-10-28 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of a transfer-ribonucleoprotein particle that promotes asparagine formation. Embo J., 29, 2010
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5EZR
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![BU of 5ezr by Molmil](/molmil-images/mine/5ezr) | Crystal Structure of PVX_084705 bound to compound | 分子名称: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | 著者 | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-26 | 公開日 | 2017-05-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of PVX_084705 bound to compound To Be Published
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6ZTD
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6USF
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![BU of 6usf by Molmil](/molmil-images/mine/6usf) | CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5 | 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, Fab heavy chain, ... | 著者 | Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A. | 登録日 | 2019-10-26 | 公開日 | 2020-04-29 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | 主引用文献 | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
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1UMA
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![BU of 1uma by Molmil](/molmil-images/mine/1uma) | ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ... | 著者 | Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M. | 登録日 | 1996-03-26 | 公開日 | 1996-11-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study. J.Mol.Biol., 258, 1996
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5JUV
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![BU of 5juv by Molmil](/molmil-images/mine/5juv) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | 著者 | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | 登録日 | 2016-05-10 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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6E5B
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![BU of 6e5b by Molmil](/molmil-images/mine/6e5b) | Human Immunoproteasome 20S particle in complex with compound 1 | 分子名称: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | 著者 | Steinbacher, S, Augustin, M, Blaesse, M, Harris, S.F. | 登録日 | 2018-07-19 | 公開日 | 2019-09-11 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability. J.Med.Chem., 62, 2019
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5C0P
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![BU of 5c0p by Molmil](/molmil-images/mine/5c0p) | The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endo-arabinase, ... | 著者 | Tan, K, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2015-06-12 | 公開日 | 2015-07-01 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.532 Å) | 主引用文献 | The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482 To Be Published
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6S69
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![BU of 6s69 by Molmil](/molmil-images/mine/6s69) | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | 分子名称: | 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | 著者 | Sturbaut, M, Allemand, F, Guichou, J.F. | 登録日 | 2019-07-02 | 公開日 | 2020-07-22 | 最終更新日 | 2022-02-02 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors. Eur.J.Med.Chem., 226, 2021
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1LVF
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![BU of 1lvf by Molmil](/molmil-images/mine/1lvf) | syntaxin 6 | 分子名称: | syntaxin 6 | 著者 | Misura, K.M.S, Bock, J.B, Gonzalez, L.C, Scheller, R.H, Weis, W.I. | 登録日 | 2002-05-28 | 公開日 | 2002-07-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Three-dimensional structure of the amino-terminal domain of syntaxin 6, a SNAP-25 C homolog. Proc.Natl.Acad.Sci.USA, 99, 2002
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5C3J
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![BU of 5c3j by Molmil](/molmil-images/mine/5c3j) | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with Ubiquinone-1 | 分子名称: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | 登録日 | 2015-06-17 | 公開日 | 2016-06-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria To Be Published
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5EYZ
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![BU of 5eyz by Molmil](/molmil-images/mine/5eyz) | CRYSTAL STRUCTURE OF THE PTPN4 PDZ DOMAIN COMPLEXED WITH THE TAILORED PEPTIDE CYTO8-RETEV | 分子名称: | CHLORIDE ION, CYTO8-RETEV, Tyrosine-protein phosphatase non-receptor type 4 | 著者 | Maisonneuve, P, Vaney, M.C, Babault, B, Caillet-Saguy, C, Lafon, M, Delepierre, M, Cordier, F, Wolff, N. | 登録日 | 2015-11-26 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Molecular Basis of the Interaction of the Human Protein Tyrosine Phosphatase Non-receptor Type 4 (PTPN4) with the Mitogen-activated Protein Kinase p38 gamma. J.Biol.Chem., 291, 2016
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5C7C
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![BU of 5c7c by Molmil](/molmil-images/mine/5c7c) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | 分子名称: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5BW7
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![BU of 5bw7 by Molmil](/molmil-images/mine/5bw7) | Crystal structure of nonfucosylated Fc Y296W mutant complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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 | Isoda, Y, Yagi, H, Satoh, T, Shibata-Koyama, M, Masuda, K, Satoh, M, Kato, K, Iida, S. | 登録日 | 2015-06-06 | 公開日 | 2015-10-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Importance of the Side Chain at Position 296 of Antibody Fc in Interactions with Fc gamma RIIIa and Other Fc gamma Receptors Plos One, 10, 2015
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5C8G
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![BU of 5c8g by Molmil](/molmil-images/mine/5c8g) | Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536 | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, PP-BRD20, UNKNOWN ATOM OR ION | 著者 | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Hou, C.F.D, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amain, M, Lin, Y.H, Structural Genomics Consortium (SGC) | 登録日 | 2015-06-25 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure Analysis of PP-BRD20 from Tb427tmp to be published
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