PDB: 97814 件ウェブページステータス検索Chemie searchBIRD

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6BVF	Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA 分子名称: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine 著者 Schlicksup, C, Wang, J.C, Zlotnick, A. 登録日 2017-12-12 公開日 2018-02-07 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids. Elife, 7, 2018
6BXZ	Crystal Structure of Pig Protocadherin-15 EC10-MAD12 分子名称: CALCIUM ION, Protocadherin related 15 著者 De-la-Torre, P, Araya-Secchi, R, Choudhary, D, Sotomayor, M. 登録日 2017-12-19 公開日 2018-11-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 A Mechanically Weak Extracellular Membrane-Adjacent Domain Induces Dimerization of Protocadherin-15. Biophys. J., 115, 2018
3G0I	Complex of Aspergillus niger epoxide hydrolase with valpromide (2-propylpentanamide) 分子名称: 2-PROPYLPENTANAMIDE, Epoxide hydrolase 著者 Zou, J, Mowbray, S.L. 登録日 2009-01-28 公開日 2009-06-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage J.Am.Chem.Soc., 131, 2009
4KTD	Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate 分子名称: GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ... 著者 Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T. 登録日 2013-05-20 公開日 2014-02-05 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA, 111, 2014
5D2X	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 6 Round5 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, De novo desinged kemp eliminase KE07 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2015-08-06 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type To Be Published
6AQJ	Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase (NADP(+)), ... 著者 Patel, K.M, Teran, D, Zheng, S, Gracia, M, Lv, Y, Schembri, M.A, McGeary, R.P, Schenk, G, Guddat, L.W. 登録日 2017-08-20 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.373 Å) 主引用文献 Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity. Chemistry, 23, 2017
5IAK	Caspase 3 V266S 分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION 著者 Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. 登録日 2016-02-21 公開日 2016-10-26 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
5INH	Crystal structure of Autotaxin/ENPP2 with a covalent fragment 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, ACETATE ION, ... 著者 Klein, M.G, Tjhen, R. 登録日 2016-03-07 公開日 2017-03-15 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes. J. Med. Chem., 60, 2017
6C55	Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3 分子名称: (cyclohexylamino)(oxo)acetic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... 著者 Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schmbri, M, McGeary, R.P. 登録日 2018-01-14 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors To Be Published
6RG0	Structure of pdxj 分子名称: Pyridoxine 5'-phosphate synthase 著者 Rohweder, B, Rajendran, C, Sterner, R. 登録日 2019-04-16 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.074 Å) 主引用文献 Library Selection with a Randomized Repertoire of ( beta alpha )8-Barrel Enzymes Results in Unexpected Induction of Gene Expression. Biochemistry, 58, 2019
5Z4H	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-01-11 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5DXA	Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460) 分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ... 著者 Boriack-Sjodin, P.A. 登録日 2015-09-23 公開日 2015-11-25 最終更新日 2016-03-30 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
5KND	Crystal structure of the Pi-bound V1 complex 分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... 著者 Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T. 登録日 2016-06-28 公開日 2016-11-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.888 Å) 主引用文献 Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor Nat Commun, 7, 2016
1R1B	EPRS SECOND REPEATED ELEMENT, NMR, MINIMIZED AVERAGE STRUCTURE 分子名称: TRNA SYNTHETASE 著者 Cahuzac, B, Berthonneau, E, Birlirakis, N, Mirande, M, Guittet, E. 登録日 1998-12-15 公開日 1999-12-15 最終更新日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 A recurrent RNA-binding domain is appended to eukaryotic aminoacyl-tRNA synthetases. EMBO J., 19, 2000
6C68	MHC-independent t cell receptor A11 分子名称: T-cell receptor alpha chain, T-cell receptor beta chain 著者 Lu, J, Van Laethem, F, Saba, I, Chu, J, Bhattacharya, A, Love, N.C, Tikhonova, A, Radaev, S, Sun, X, Ko, A, Arnon, T, Shifrut, E, Friedman, N, Weng, N, Singer, A, Sun, P.D. 登録日 2018-01-18 公開日 2019-01-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Structure of MHC-Independent TCRs and Their Recognition of Native Antigen CD155. J Immunol., 204, 2020
8Q3C	Structure of Selenomonas ruminantium lactate dehydrogenase I85R mutant 分子名称: CHLORIDE ION, L-lactate dehydrogenase, NITRATE ION, ... 著者 Bertrand, Q, Coquille, S, Iorio, A, Sterpone, F, Madern, D. 登録日 2023-08-03 公開日 2023-11-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases. J.Struct.Biol., 215, 2023
6C5N	Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1 分子名称: (cyclopentylamino)(oxo)acetic acid, IMIDAZOLE, Ketol-acid reductoisomerase (NADP(+)), ... 著者 Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McGeary, R.P. 登録日 2018-01-16 公開日 2019-01-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.673 Å) 主引用文献 Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductosiomerase (KARI) inhibitor To Be Published
4ZZE	Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with panose 分子名称: CHLORIDE ION, MAGNESIUM ION, Sugar binding protein of ABC transporter system, ... 著者 Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Hachem, M.A. 登録日 2015-05-22 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates. J. Biol. Chem., 291, 2016
8RPO	BFL1 in complex with a reversible covalent ligand 分子名称: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 著者 Hargreaves, D. 登録日 2024-01-16 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (1.791 Å) 主引用文献 Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen. Acs Med.Chem.Lett., 15, 2024
1O80	Crystal structure of IP-10 H-Form 分子名称: SMALL INDUCIBLE CYTOKINE B10 著者 Swaminathan, G.J, Holloway, D.E, Papageorgiou, A.C, Acharya, K.R. 登録日 2002-11-20 公開日 2003-05-08 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structures of Oligomeric Forms of the Ip-10/Cxcl10 Chemokine Structure, 11, 2003
6YR2	TetR(D) soaked with Tigecycline P4(1)2(1)2 分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ... 著者 Hinrichs, W, Stary, K. 登録日 2020-04-19 公開日 2021-04-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 TetR(D) soaked with Tigecycline to be published
4ZZA	Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose, selenomethionine derivative 分子名称: Sugar binding protein of ABC transporter system, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose 著者 Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Abou Hachem, M. 登録日 2015-05-22 公開日 2016-06-29 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates. J. Biol. Chem., 291, 2016
4KTE	Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate 分子名称: GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ... 著者 Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T. 登録日 2013-05-20 公開日 2014-02-05 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA, 111, 2014
6YR1	TetR(D) soaked with Tigecycline I4(1)22 分子名称: CHLORIDE ION, MAGNESIUM ION, TIGECYCLINE, ... 著者 Hinrichs, W, Stary, K. 登録日 2020-04-18 公開日 2021-04-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 TetR(D) soaked with Tigecycline to be published
8Q8I	AO75L in complex with a synthetic trisaccharide acceptor. 分子名称: (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, BICINE, ... 著者 Laugueri, M.E, Speciale, I, Gimeno, A, Sicheng, L, Poveda, A, Lowary, T, Van Etten J, L, Barbero, J, De Castro, C, Tonetti, M, Rojas A, L. 登録日 2023-08-18 公開日 2024-08-21 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 AO75L in complex with a synthetic trisaccharide acceptor. To Be Published

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