4JZI
 
 | | Crystal Structure of Matriptase in complex with Inhibitor". | | 分子名称: | N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein | | 著者 | Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | | 登録日 | 2013-04-03 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
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8WM6
 | | The structure of PSI-CAC(L-14)of R.salina at 2.7 angstroms resolution | | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Zhang, S.M, Si, L, Li, M. | | 登録日 | 2023-10-03 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
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3VFQ
 | | Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphoribose | | 分子名称: | Poly [ADP-ribose] polymerase 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2012-01-10 | | 公開日 | 2013-03-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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9BJK
 | | Inactive mu opioid receptor bound to Nb6, naloxone and NAM | | 分子名称: | Mu-type opioid receptor, Naloxone, Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide, ... | | 著者 | O'Brien, E.S, Wang, H, Kaavya Krishna, K, Zhang, C, Kobilka, B.K. | | 登録日 | 2024-04-25 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | A mu-opioid receptor modulator that works cooperatively with naloxone.
Nature, 631, 2024
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8H65
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1ZHK
 | | Crystal structure of HLA-B*3501 presenting 13-mer EBV antigen LPEPLPQGQLTAY | | 分子名称: | Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ... | | 著者 | Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J. | | 登録日 | 2005-04-26 | | 公開日 | 2005-05-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance
J.Biol.Chem., 280, 2005
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3VOU
 | | The crystal structure of NaK-NavSulP chimera channel | | 分子名称: | COBALT (II) ION, Ion transport 2 domain protein, Voltage-gated sodium channel, ... | | 著者 | Irie, K, Shimomura, T, Fujiyoshi, Y. | | 登録日 | 2012-02-10 | | 公開日 | 2012-05-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The C-terminal helical bundle of the tetrameric prokaryotic sodium channel accelerates the inactivation rate
Nat Commun, 3, 2012
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3IBD
 | | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole | | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. | | 登録日 | 2009-07-15 | | 公開日 | 2010-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Mol.Pharmacol., 77, 2010
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8H82
 | | Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Lin, M, Liu, X. | | 登録日 | 2022-10-21 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8HBJ
 | | cocktail of FMDV (A/TUR/14/98) in complex with M678F and M688F | | 分子名称: | M678F nab, M688F nab, VP1 of capsid protein, ... | | 著者 | Li, H.Z, Dong, H, Liu, P. | | 登録日 | 2022-10-28 | | 公開日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural and in vivo studies of neutralizing antibody topographical classifications reveal mechanisms underlying differences in immunogenicity and antigenicity between 146S and 12S of foot-and-mouth disease virus
To Be Published
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8HBG
 | | FMDV (A/TUR/14/98) in complex with M678F | | 分子名称: | M678F nab, VP1 of capsid protein, VP2 of capsid protein, ... | | 著者 | Li, H.Z, Dong, H, Liu, P. | | 登録日 | 2022-10-28 | | 公開日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural and in vivo studies of neutralizing antibody topographical classifications reveal mechanisms underlying differences in immunogenicity and antigenicity between 146S and 12S of foot-and-mouth disease virus
To Be Published
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8HEG
 | | Pentamer of FMDV (A/TUR/14/98) in complex with M3F | | 分子名称: | M3F, VP1 of capsid protein, VP2 of capsid protein, ... | | 著者 | Li, H.Z, Dong, H, Liu, P. | | 登録日 | 2022-11-08 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural and in vivo studies of neutralizing antibody topographical classifications reveal mechanisms underlying differences in immunogenicity and antigenicity between 146S and 12S of foot-and-mouth disease virus
To Be Published
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3KBT
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3KBU
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5MMC
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5ML5
 | | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Buehrmann, M, Rauh, D. | | 登録日 | 2016-12-06 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
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1A6B
 | | NMR STRUCTURE OF THE COMPLEX BETWEEN THE ZINC FINGER PROTEIN NCP10 OF MOLONEY MURINE LEUKEMIA VIRUS AND A SEQUENCE OF THE PSI-PACKAGING DOMAIN OF HIV-1, 20 STRUCTURES | | 分子名称: | DNA (5'-D(*AP*CP*GP*CP*C)-3'), ZINC FINGER PROTEIN NCP10, ZINC ION | | 著者 | Schueler, W, Dong, C.-Z, Wecker, K, Roques, B.P. | | 登録日 | 1998-02-23 | | 公開日 | 1999-08-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of the complex between the zinc finger protein NCp10 of Moloney murine leukemia virus and the single-stranded pentanucleotide d(ACGCC): comparison with HIV-NCp7 complexes.
Biochemistry, 38, 1999
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1AB7
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5MTX
 | | Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | | 分子名称: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Buehrmann, M, Rauh, D. | | 登録日 | 2017-01-11 | | 公開日 | 2017-09-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
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5LXP
 | | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H5 | | 分子名称: | Poly [ADP-ribose] polymerase 14, ~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide | | 著者 | Karlberg, T, Thorsell, A.G, Schuler, H. | | 登録日 | 2016-09-22 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Small Molecule Microarray Based Discovery of PARP14 Inhibitors.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5LYH
 | | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H10 | | 分子名称: | 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | | 著者 | Karlberg, T, Thorsell, A.G, Schuler, H. | | 登録日 | 2016-09-28 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Small Molecule Microarray Based Discovery of PARP14 Inhibitors.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8U77
 | | Crystal structure of Taf14 in complex with Yng1 | | 分子名称: | Protein YNG1, Transcription initiation factor TFIID subunit 14 | | 著者 | Nguyen, M.C, Wei, P.C, Zhang, G.Y, Kutateladze, T.G. | | 登録日 | 2023-09-14 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Molecular insight into interactions between the Taf14, Yng1 and Sas3 subunits of the NuA3 complex.
Nat Commun, 15, 2024
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5N65
 | | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h | | 分子名称: | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | | 著者 | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | | 登録日 | 2017-02-14 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
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5MZ3
 | | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | 著者 | Cowan-Jacob, S.W, Scheufler, C. | | 登録日 | 2017-01-30 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5N64
 | | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g | | 分子名称: | 2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | | 著者 | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | | 登録日 | 2017-02-14 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
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