6AYB
 
 | | Naegleria fowleri CYP51-ketoconazole complex | | 分子名称: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | 登録日 | 2017-09-08 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
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1AHD
 | | DETERMINATION OF THE NMR SOLUTION STRUCTURE OF AN ANTENNAPEDIA HOMEODOMAIN-DNA COMPLEX | | 分子名称: | DNA (5'-D(*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), Homeotic protein antennapedia | | 著者 | Billeter, M, Qian, Y.Q, Otting, G, Muller, M, Gehring, W.J, Wuthrich, K. | | 登録日 | 1993-04-02 | | 公開日 | 1993-10-31 | | 最終更新日 | 2024-04-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Determination of the nuclear magnetic resonance solution structure of an Antennapedia homeodomain-DNA complex.
J.Mol.Biol., 234, 1993
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7K5C
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7SP4
 | | In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 2 at 3.71A resolution | | 分子名称: | Gene 3 protein, Gene 5 protein, Gene 7 protein | | 著者 | Li, F, Cingolani, G, Hou, C, Yang, R. | | 登録日 | 2021-11-02 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine.
Sci Adv, 8, 2022
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7SPU
 | | In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 1 at 3.73A resolution | | 分子名称: | Gene 3 protein, Gene 5 protein, Gene 7 protein | | 著者 | Li, F, Cingolani, G, Hou, C, Yang, R. | | 登録日 | 2021-11-03 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | | 主引用文献 | High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine.
Sci Adv, 8, 2022
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5HUY
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7SFS
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7SG7
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5HUW
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1ZFO
 | | AMINO-TERMINAL LIM-DOMAIN PEPTIDE OF LASP-1, NMR | | 分子名称: | LASP-1, ZINC ION | | 著者 | Hammarstrom, A, Berndt, K.D, Sillard, R, Adermann, K, Otting, G. | | 登録日 | 1996-05-06 | | 公開日 | 1996-11-08 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a naturally-occurring zinc-peptide complex demonstrates that the N-terminal zinc-binding module of the Lasp-1 LIM domain is an independent folding unit.
Biochemistry, 35, 1996
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4IBE
 | | 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-chlorobenzoic acid, GLYCEROL, 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, Center for Structural Genomics of Infectious Diseases (CSGID) | | 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 (1.95 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
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4IBF
 | | Ebola virus VP35 bound to small molecule | | 分子名称: | (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, 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, Center for Structural Genomics of Infectious Diseases (CSGID) | | 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 (2.291 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
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4IBK
 | | Ebola virus VP35 bound to small molecule | | 分子名称: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 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 (1.85 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
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4IJF
 | | Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain K222A/R225A/K248A/K251A mutant | | 分子名称: | Polymerase cofactor VP35 | | 著者 | Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K. | | 登録日 | 2012-12-21 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.506 Å) | | 主引用文献 | Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
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4UAF
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6CM2
 | | SAMHD1 HD domain bound to decitabine triphosphate | | 分子名称: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | | 登録日 | 2018-03-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
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4IBC
 | | Ebola virus VP35 bound to small molecule | | 分子名称: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-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. | | 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 (1.745 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
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7YLA
 | | Cryo-EM structure of 50S-HflX complex | | 分子名称: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | 著者 | Damu, W, Ning, G. | | 登録日 | 2022-07-25 | | 公開日 | 2023-01-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | | 主引用文献 | Cryo-EM Structure of the 50S-HflX Complex Reveals a Novel Mechanism of Antibiotic Resistance in E. coli
Biorxiv, 2022
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4HRF
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5BVZ
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8G83
 | | Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain | | 分子名称: | NAD(+) hydrolase AbTIR | | 著者 | Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A. | | 登録日 | 2023-02-17 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
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1BIW
 | | DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS | | 分子名称: | CALCIUM ION, N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE, PROTEIN (STROMELYSIN-1 COMPLEX), ... | | 著者 | Natchus, M.G, Cheng, M, Wahl, C.T, Pikul, S, Almstead, N.G, Bradley, R.S, Taiwo, Y.O, Mieling, G.E, Dunaway, C.M, Snider, C.E, McIver, J.M, Barnett, B.L, McPhail, S.J, Anastasio, M.B, De, B. | | 登録日 | 1998-06-19 | | 公開日 | 1999-07-16 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design and synthesis of conformationally-constrained MMP inhibitors.
Bioorg.Med.Chem.Lett., 8, 1998
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7YQK
 | | cryo-EM structure of gammaH2AXK15ub-H4K20me2 nucleosome bound to 53BP1 | | 分子名称: | DNA (145-MER), Histone H2AX, Histone H2B, ... | | 著者 | Ai, H.S, GuoChao, C, Qingyue, G, Ze-Bin, T, Zhiheng, D, Xin, L, Fan, Y, Ziyu, X, Jia-Bin, L, Changlin, T, Liu, L. | | 登録日 | 2022-08-07 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Chemical Synthesis of Post-Translationally Modified H2AX Reveals Redundancy in Interplay between Histone Phosphorylation, Ubiquitination, and Methylation on the Binding of 53BP1 with Nucleosomes.
J.Am.Chem.Soc., 144, 2022
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4D18
 | | Crystal structure of the COP9 signalosome | | 分子名称: | COP9 SIGNALOSOME COMPLEX SUBUNIT 1, COP9 SIGNALOSOME COMPLEX SUBUNIT 2, COP9 SIGNALOSOME COMPLEX SUBUNIT 3, ... | | 著者 | Bunker, R.D, Lingaraju, G.M, Thoma, N.H. | | 登録日 | 2014-05-01 | | 公開日 | 2014-07-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (4.08 Å) | | 主引用文献 | Crystal Structure of the Human Cop9 Signalosome
Nature, 512, 2014
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6AYC
 | | Naegleria fowleri CYP51-itraconazole complex | | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | 登録日 | 2017-09-08 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
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