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4EBW
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BU of 4ebw by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
分子名称: 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1
著者Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H.
登録日2012-03-25
公開日2012-07-25
最終更新日2013-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
1LR1
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BU of 1lr1 by Molmil
Solution Structure of the Oligomerization Domain of the Bacterial Chromatin-Structuring Protein H-NS
分子名称: dna-binding protein h-ns
著者Esposito, D, Petrovic, A, Harris, R, Ono, S, Eccleston, J, Mbabaali, A, Haq, I, Higgins, C.F, Hinton, J.C.D, Driscoll, P.C, Ladbury, J.E.
登録日2002-05-14
公開日2003-01-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献H-NS Oligomerization Domain Structure Reveals the Mechanism for High Order Self-association of the Intact Protein
J.Mol.Biol., 324, 2002
6O3Z
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BU of 6o3z by Molmil
Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)
分子名称: 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant
著者Min, X, Wang, Z.
登録日2019-02-27
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
4EBV
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BU of 4ebv by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
分子名称: 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1, ISOPROPYL ALCOHOL
著者Skene, R.J, Hosfield, D.J.
登録日2012-03-25
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
4I4F
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BU of 4i4f by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound.
分子名称: Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide
著者Skene, R.J, Hosfield, D.J.
登録日2012-11-27
公開日2013-02-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
4I4E
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BU of 4i4e by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound.
分子名称: Focal adhesion kinase 1, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone
著者Skene, R.J, Hosfield, D.J.
登録日2012-11-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
2KUS
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BU of 2kus by Molmil
Spatial structure of Antimicrobial Peptide Sm-AMP-1.1a
分子名称: Sm-AMP-1.1a
著者Bozin, T.N, Bocharov, E.V, Sobol, V.A, Vassilevski, A.A, Arseniev, A.A.
登録日2010-02-27
公開日2011-03-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Common chickweed (Stellaria media) antifungal peptides with chitin-binding domain provide unique plant defense strategy
To be Published
6OAM
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Crystal Structure of ChlaDUB2 DUB domain
分子名称: Deubiquitinase and deneddylase Dub2, Ubiquitin
著者Hausman, J.M, Das, C.
登録日2019-03-17
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献The Two Deubiquitinating Enzymes fromChlamydia trachomatisHave Distinct Ubiquitin Recognition Properties.
Biochemistry, 59, 2020
6MRN
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Crystal Structure of ChlaDUB2 DUB domain
分子名称: Deubiquitinase and deneddylase Dub2
著者Hausman, J.M, Das, C.
登録日2018-10-15
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Two Deubiquitinating Enzymes fromChlamydia trachomatisHave Distinct Ubiquitin Recognition Properties.
Biochemistry, 59, 2020
7LM3
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Crystal Structure of Thr316Ala mutant of JAMM domain of S. pombe
分子名称: AMSH-like protease sst2, PHOSPHATE ION, ZINC ION
著者Shrestha, R, Das, C.
登録日2021-02-05
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the Thr316Ala mutant of a yeast JAMM deubiquitinase: implication of active-site loop dynamics in catalysis.
Acta Crystallogr.,Sect.F, 77, 2021

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件を2024-09-11に公開中

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