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2PMQ
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BU of 2pmq by Molmil
Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
著者Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-04-23
公開日2007-05-08
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
4YTF
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BU of 4ytf by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2
著者Farmer, L, Ledeboer, M.W, Zuccola, H.J.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTI
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BU of 4yti by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
著者Ledeboer, M.W, Zuccola, H.J.
登録日2015-03-17
公開日2015-08-12
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
6C1S
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BU of 6c1s by Molmil
Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile
著者Jacobs, M.D, Griffin, J.P.
登録日2018-01-05
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS).
J. Med. Chem., 61, 2018
3IO7
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BU of 3io7 by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
分子名称: (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
登録日2009-08-13
公開日2009-11-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
3IOK
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BU of 3iok by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
分子名称: 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
登録日2009-08-14
公開日2009-11-10
最終更新日2013-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
7KKE
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BU of 7kke by Molmil
Phosphoinositide 3-Kinase gamma bound to a thiazole inhibitor
分子名称: N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Jacobs, M.D, Griffith, J.P.
登録日2020-10-27
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3K gamma Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4JNZ
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BU of 4jnz by Molmil
Crystal structure of PutA86-630 mutant D370N complexed with L-Tetrahydro-2-furoic acid
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
著者Tanner, J.J.
登録日2013-03-16
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Biochemistry, 52, 2013
4JNY
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BU of 4jny by Molmil
Crystal structure of PutA86-630 mutant D370A complexed with L-Tetrahydro-2-furoic acid
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
著者Tanner, J.J.
登録日2013-03-16
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Biochemistry, 52, 2013

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件を2024-07-17に公開中

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