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PDB: 20 件
2B8L
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Crystal structure of human beta secretase complexed with inhibitor
分子名称: Beta-secretase 1, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
著者Munshi, S.K, Kuo, L.
登録日2005-10-07
公開日2005-10-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformationally biased P3 amide replacements of beta-secretase inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
1QJZ
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Three Dimensional Structure of Physalis Mottle Virus : Implications for the Viral Assembly
分子名称: COAT PROTEIN
著者Krishna, S.S, Hiremath, C.N, Munshi, S.K, Prahadeeswaran, D, Sastri, M, Savithri, H.S, Murthy, M.R.N.
登録日1999-07-07
公開日1999-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Three Dimensional Structure of Physalis Movirus: Implications for the Viral Assembly
J.Mol.Biol., 289, 1999
5KZ8
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Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
分子名称: 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
著者Su, H.P, Munshi, S.K.
登録日2016-07-23
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5KZ7
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Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
分子名称: 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
著者Su, H.P, Munshi, S.K.
登録日2016-07-23
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
2Z7R
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Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Staurosporine
分子名称: Ribosomal protein S6 kinase alpha-1, STAUROSPORINE
著者Ikuta, M, Munshi, S.K.
登録日2007-08-28
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
2Z7Q
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Crystal structure of the N-terminal kinase domain of human RSK-1 bound to AMP-PCP
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1
著者Ikuta, M, Munshi, S.K.
登録日2007-08-28
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
2Z7S
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Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A
分子名称: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Ribosomal protein S6 kinase alpha-1
著者Ikuta, M, Munshi, S.K.
登録日2007-08-28
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
3A62
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Crystal structure of phosphorylated p70S6K1
分子名称: MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-18
公開日2009-10-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3A61
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Crystal structure of unphosphorylated p70S6K1 (Form II)
分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-18
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3A60
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Crystal structure of unphosphorylated p70S6K1 (Form I)
分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-17
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
2B8V
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BU of 2b8v by Molmil
Crystal structure of human Beta-secretase complexed with L-L000430,469
分子名称: 3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE, Beta-secretase 1
著者Stachel, S.J, Coburn, C.A, Steele, T.G, Crouthamel, M.-C, Pietrak, B.L, Lai, M.-T, Holloway, M.K, Munshi, S.K, Graham, S.L, Vacca, J.P.
登録日2005-10-10
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformationally biased P3 amide replacements of beta-secretase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3NAX
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PDK1 in complex with inhibitor MP7
分子名称: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
3NAY
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PDK1 in complex with inhibitor MP6
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
3LP3
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p15 HIV RNaseH domain with inhibitor MK3
分子名称: 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, p15
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP2
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HIV-1 reverse transcriptase with inhibitor
分子名称: 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP1
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HIV-1 reverse transcriptase with inhibitor
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one, MANGANESE (II) ION, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP0
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HIV-1 reverse transcriptase with inhibitor
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3DFJ
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Crystal structure of human Prostasin
分子名称: CHLORIDE ION, Prostasin
著者Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K.
登録日2008-06-12
公開日2008-10-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of human prostasin, a target for the regulation of hypertension.
J.Biol.Chem., 283, 2008
3DFL
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Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid
分子名称: 4-carbamimidamidobenzoic acid, Prostasin
著者Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K.
登録日2008-06-12
公開日2008-10-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human prostasin, a target for the regulation of hypertension.
J.Biol.Chem., 283, 2008
2ZJM
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Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
著者Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K.
登録日2008-03-07
公開日2009-01-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published

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