PDB: 20505 件ウェブページステータス検索Chemie searchBIRD

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6US9	Influenza A M2 proton channel wild type TM domain bound to R-rimantadine 分子名称: CHLORIDE ION, Matrix protein 2, RIMANTADINE 著者 Thomaston, J.L, DeGrado, W.F. 登録日 2019-10-25 公開日 2020-10-28 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity. Biochemistry, 2021
4I8X	Crystal structure of rabbit LDHA in complex with AP27460 分子名称: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain 著者 Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. 登録日 2012-12-04 公開日 2013-01-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
3OBL	Crystal structure of the potent anti-HIV cyanobacterial lectin from Oscillatoria Agardhii 分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Lectin 著者 Koharudin, L.M.I, Furey, W, Gronenborn, A.M. 登録日 2010-08-06 公開日 2010-10-20 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Novel fold and carbohydrate specificity of the potent anti-HIV cyanobacterial lectin from Oscillatoria agardhii. J.Biol.Chem., 286, 2011
6UWR	Clostridium difficile binary toxin translocase CDTb in asymmetric tetradecamer conformation 分子名称: ADP-ribosyltransferase binding component, CALCIUM ION 著者 Xu, X, Pozharski, E, des Georges, A. 登録日 2019-11-05 公開日 2020-01-22 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
3O00	Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD-C244S 分子名称: Cell invasion protein sipD, NICKEL (II) ION 著者 Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. 登録日 2010-07-18 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
6VBJ	CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE THERMOANAEROBACTER TENGCONGENSIS ENZYME WITH THE ACTIVE SITE LOOPS FROM THE ESCHERICHIA COLI ENZYME 分子名称: Phosphoenolpyruvate-protein phosphotransferase 著者 Stewart Jr, C.E. 登録日 2019-12-19 公開日 2020-06-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I. J.Mol.Biol., 432, 2020
4I9N	Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 分子名称: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain 著者 Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. 登録日 2012-12-05 公開日 2013-01-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
4IBG	Ebola virus VP35 bound to small molecule 分子名称: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... 著者 Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. 登録日 2012-12-08 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.413 Å) 主引用文献 In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
6UWO	Crystal structure of receptor binding domain 2 from Clostridium difficile translocase CDTb 分子名称: ADP-ribosyltransferase binding component 著者 Pozharski, E. 登録日 2019-11-05 公開日 2020-01-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
3NWV	Human cytochrome c G41S 分子名称: Cytochrome c, HEME C 著者 Fagerlund, R.D, Wilbanks, S.M. 登録日 2010-07-11 公開日 2011-03-09 最終更新日 2019-10-02 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Proapoptotic G41S Mutation to Human Cytochrome c Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate. J.Am.Chem.Soc., 133, 2011
4IBB	Ebola virus VP35 bound to small molecule 分子名称: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid 著者 Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2012-12-08 公開日 2014-02-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.752 Å) 主引用文献 In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
4IBD	Ebola virus VP35 bound to small molecule 分子名称: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... 著者 Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. 登録日 2012-12-08 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
6V1N	CSP1-E1A-cyc(Dap6E10) 分子名称: Competence-stimulating peptide type 1 著者 Yang, Y. 登録日 2019-11-20 公開日 2020-01-08 最終更新日 2020-02-05 実験手法 SOLUTION NMR 主引用文献 Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae. Proc.Natl.Acad.Sci.USA, 117, 2020
8R3C	Cocrystal form II of the Pent - sulfonato-calix[8]arene complex 分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene 著者 Flood, R.J, Crowley, P.B. 登録日 2023-11-08 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Multivalent Calixarene Complexation of a Designed Pentameric Lectin. Biomacromolecules, 25, 2024
8AHG	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery 分子名称: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide 著者 Baker, L.M, Murray, J.B, Hubbard, R.E. 登録日 2022-07-21 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.885 Å) 主引用文献 PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
8AHH	PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery 分子名称: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4 著者 Baker, L.M, Murray, J.B, Hubbard, R.E. 登録日 2022-07-21 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.037 Å) 主引用文献 PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
3NY2	Structure of the ubr-box of UBR2 ubiquitin ligase 分子名称: E3 ubiquitin-protein ligase UBR2, ZINC ION 著者 Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K. 登録日 2010-07-14 公開日 2010-08-11 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Structural basis of substrate recognition and specificity in the N-end rule pathway. Nat.Struct.Mol.Biol., 17, 2010
8AHE	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery 分子名称: SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide 著者 Baker, L.M, Murray, J.B, Hubbard, R.E. 登録日 2022-07-21 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.108 Å) 主引用文献 PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
8AHF	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery 分子名称: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase 著者 Baker, L.M, Murray, J.B, Hubbard, R.E. 登録日 2022-07-21 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.271 Å) 主引用文献 PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
8AHI	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery 分子名称: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide 著者 Baker, L.M, Murray, J.B, Hubbard, R.E. 登録日 2022-07-21 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
6V6M	Crystal structure of an inactive state of GMPPNP-bound RhoA 分子名称: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-05 公開日 2020-12-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6US8	Influenza A M2 proton channel wild type TM domain bound to S-rimantadine 分子名称: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2 著者 Thomaston, J.L, DeGrado, W.F. 登録日 2019-10-25 公開日 2020-10-28 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity. Biochemistry, 2021
6V6U	Crystal structure of RhoA-GDP with novel Switch I conformation 分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-06 公開日 2020-12-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
3NXE	X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease covalent dimer 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-13 公開日 2011-11-02 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3NY3	Structure of the ubr-box of UBR2 in complex with N-degron 分子名称: E3 ubiquitin-protein ligase UBR2, N-degron, ZINC ION 著者 Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K. 登録日 2010-07-14 公開日 2010-08-11 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural basis of substrate recognition and specificity in the N-end rule pathway. Nat.Struct.Mol.Biol., 17, 2010

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