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1NC6
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BU of 1nc6 by Molmil
Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone
分子名称: (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ...
著者Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E.
登録日2002-12-04
公開日2003-09-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
2ZA5
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BU of 2za5 by Molmil
Crystal Structure of human tryptase with potent non-peptide inhibitor
分子名称: (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2
著者Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C.
登録日2007-10-02
公開日2008-02-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
2ZEC
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BU of 2zec by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
分子名称: 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2
著者Spurlino, J.C, Lewandowski, F, Milligan, C.
登録日2007-12-08
公開日2008-12-09
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.059 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
2ZEB
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BU of 2zeb by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
分子名称: 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2
著者Spurlino, J.C, Lewandowski, F, Milligan, C.
登録日2007-12-08
公開日2008-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
3QAI
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BU of 3qai by Molmil
X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3
分子名称: Ketohexokinase, N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
著者Abad, M.C.
登録日2011-01-11
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
3Q92
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BU of 3q92 by Molmil
X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1
分子名称: Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
著者Abad, M.C.
登録日2011-01-07
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
3QA2
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BU of 3qa2 by Molmil
X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2
分子名称: Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
著者Abad, M.C.
登録日2011-01-10
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.519 Å)
主引用文献Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011

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