3OC1
 
 | | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | | 分子名称: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14 | | 著者 | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | | 登録日 | 2010-08-09 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
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3OBJ
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3P5K
 | | P38 inhibitor-bound | | 分子名称: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Namboodiri, H. | | 登録日 | 2010-10-08 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
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3O8U
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3O8P
 | | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | | 分子名称: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ... | | 著者 | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | | 登録日 | 2010-08-03 | | 公開日 | 2010-09-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
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3OBG
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8UTE
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | 登録日 | 2023-10-31 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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3P7K
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8UPW
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | 登録日 | 2023-10-23 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | 登録日 | 2023-10-23 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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3HEC
 | | P38 in complex with Imatinib | | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Namboodiri, H.V, Karpusas, M. | | 登録日 | 2009-05-08 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
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3HEG
 | | P38 in complex with Sorafenib | | 分子名称: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14 | | 著者 | Namboodiri, H.V, Karpusas, M. | | 登録日 | 2009-05-08 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
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1UI7
 | | Site-directed mutagenesis of His433 involved in binding of copper ion in Arthrobacter globiformis amine oxidase | | 分子名称: | COPPER (II) ION, Phenylethylamine oxidase | | 著者 | Matsunami, H, Okajima, T, Hirota, S, Yamaguchi, H, Hori, H, Kuroda, S, Tanizawa, K. | | 登録日 | 2003-07-15 | | 公開日 | 2004-04-20 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Chemical rescue of a site-specific mutant of bacterial copper amine oxidase for generation of the topa quinone cofactor
Biochemistry, 43, 2004
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1UI8
 | | Site-directed mutagenesis of His592 involved in binding of copper ion in Arthrobacter globiformis amine oxidase | | 分子名称: | COPPER (II) ION, Phenylethylamine oxidase | | 著者 | Matsunami, H, Okajima, T, Hirota, S, Yamaguchi, H, Hori, H, Kuroda, S, Tanizawa, K. | | 登録日 | 2003-07-15 | | 公開日 | 2004-04-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Chemical rescue of a site-specific mutant of bacterial copper amine oxidase for generation of the topa quinone cofactor
Biochemistry, 43, 2004
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3TT3
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3TT1
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3TU0
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2ZFU
 | | Structure of the methyltransferase-like domain of nucleomethylin | | 分子名称: | Cerebral protein 1, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Minami, H, Hashimoto, H, Murayama, A, Yanagisawa, J, Sato, M, Shimizu, T. | | 登録日 | 2008-01-14 | | 公開日 | 2008-12-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Epigenetic control of rDNA loci in response to intracellular energy status
Cell(Cambridge,Mass.), 133, 2008
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5BQD
 | | Crystal Structure of TBX5 (1-239) Dimer | | 分子名称: | MAGNESIUM ION, T-box transcription factor TBX5 | | 著者 | Pradhan, L, Gopal, S, Patel, A, Kasahara, H, Nam, H.J. | | 登録日 | 2015-05-28 | | 公開日 | 2016-03-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.583 Å) | | 主引用文献 | Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
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2JMK
 | | Solution structure of ta0956 | | 分子名称: | Hypothetical protein Ta0956 | | 著者 | Koo, B, Jung, J, Jung, H, Nam, H, Kim, Y, Yee, A, Arrowsmith, C.H, Lee, W. | | 登録日 | 2006-11-20 | | 公開日 | 2007-10-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the hypothetical novel-fold protein TA0956 from Thermoplasma acidophilum
Proteins, 69, 2007
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3RKQ
 | | NKX2.5 Homeodomain dimer bound to ANF-242 DNA | | 分子名称: | ANF-242 DNA, Homeobox protein Nkx-2.5, MAGNESIUM ION | | 著者 | Genis, C, Scone, P, Kasahara, H, Nam, H.-J. | | 登録日 | 2011-04-18 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of the human NKX2.5 homeodomain in complex with DNA target.
Biochemistry, 51, 2012
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5KAZ
 | | Human SH2D1B structure | | 分子名称: | SH2 domain-containing protein 1B, SULFATE ION | | 著者 | Taha, M, Nezerwa, E, Nam, H.-J. | | 登録日 | 2016-06-02 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The X-ray Crystallographic Structure of Human EAT2 (SH2D1B).
Protein Pept. Lett., 23, 2016
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1Z1C
 | | Structural Determinants of Tissue Tropism and In Vivo Pathogenicity for the Parvovirus Minute virus of Mice | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-D(*AP*CP*AP*CP*CP*AP*AP*AP*A)-3', 5'-D(*AP*TP*CP*CP*TP*CP*TP*AP*TP*CP*AP*C)-3', ... | | 著者 | Kontou, M, Govindasamy, L, Nam, H.J, Bryant, N, Llamas-Saiz, A.L, Foces-Foces, C, Hernando, E, Rubio, M.P, McKenna, R, Almendral, J.M, Agbandje-McKenna, M. | | 登録日 | 2005-03-03 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural determinants of tissue tropism and in vivo pathogenicity for the parvovirus minute virus of mice.
J.Virol., 79, 2005
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1Z14
 | | Structural Determinants of Tissue Tropism and In Vivo Pathogenicity for the Parvovirus Minute Virus of Mice | | 分子名称: | VP2 | | 著者 | Kontou, M, Govindasamy, L, Nam, H.J, Bryant, N, Llamas-Saiz, A.L, Foces-Foces, C, Hernando, E, Rubio, M.P, McKenna, R, Almendral, J.M, Agbandje-McKenna, M. | | 登録日 | 2005-03-03 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structural determinants of tissue tropism and in vivo pathogenicity for the parvovirus minute virus of mice.
J.Virol., 79, 2005
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4G0R
 | | Structural characterization of H-1 Parvovirus: comparison of infectious virions to replication defective particles | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, ... | | 著者 | Halder, S, Agbandje-McKenna, M, Nam, H.-J, Govindasamy, L, Vogel, M, Dinsart, C, Salome, N, McKenna, R. | | 登録日 | 2012-07-09 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural characterization of h-1 parvovirus: comparison of infectious virions to empty capsids.
J.Virol., 87, 2013
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