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4QGF
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BU of 4qgf by Molmil
S.aureus TMK in complex with the potent inhibitor compound 38, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{(1R)-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]PROPYL}BENZOIC ACID
分子名称: 2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid, Thymidylate kinase
著者Olivier, N.B.
登録日2014-05-22
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4PS8
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BU of 4ps8 by Molmil
Structure of PI3K gamma in complex with N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
分子名称: N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Griffith, J.P.
登録日2014-03-06
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4PS3
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BU of 4ps3 by Molmil
Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea
分子名称: 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Griffith, J.P.
登録日2014-03-06
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
7VKE
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BU of 7vke by Molmil
Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A
分子名称: 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ...
著者Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K.
登録日2021-09-29
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity.
Mabs, 14, 2022
2KCA
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BU of 2kca by Molmil
GP16
分子名称: Bacteriophage SPP1 complete nucleotide sequence
著者Gallopin, M, Gilquin, B, Zinn-Justin, S.
登録日2008-12-18
公開日2009-06-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of bacteriophage SPP1 head-to-tail connection reveals mechanism for viral DNA gating.
Proc.Natl.Acad.Sci.USA, 106, 2009
2KBZ
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BU of 2kbz by Molmil
NMR structure of protein gp15 of bacteriophage SPP1
分子名称: 15 protein (Bacteriophage SPP1 complete nucleotide sequence)
著者Gallopin, M, Gilquin, B, Zinn-Justin, S.
登録日2008-12-12
公開日2009-06-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of bacteriophage SPP1 head-to-tail connection reveals mechanism for viral DNA gating
Proc.Natl.Acad.Sci.USA, 106, 2009
6H5R
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BU of 6h5r by Molmil
Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I)
分子名称: Human Telomeric DNA, POTASSIUM ION, STRONTIUM ION, ...
著者Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2018-07-25
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis.
Dalton Trans, 47, 2018
3OB6
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BU of 3ob6 by Molmil
Structure of AdiC(N101A) in the open-to-out Arg+ bound conformation
分子名称: ARGININE, AdiC arginine:agmatine antiporter
著者Carpena, X, Kowalczyk, L, Ratera, M, Valencia, E, Vazquez-lbar, J.L, Fita, I, Palacin, M.
登録日2010-08-06
公開日2011-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis of substrate-induced permeation by an amino acid antiporter.
Proc.Natl.Acad.Sci.USA, 108, 2011
6SUY
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BU of 6suy by Molmil
Yeast cytochrome c in complex with an octa-anionic calix[4]arene
分子名称: Cytochrome c iso-1, HEME C, SODIUM ION, ...
著者Alex, J.M, Crowley, P.B.
登録日2019-09-17
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene.
Org.Biomol.Chem., 18, 2020
2H8H
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Src kinase in complex with a quinazoline inhibitor
分子名称: N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, Proto-oncogene tyrosine-protein kinase Src
著者Otterbein, L.R, Norman, R, Pauptit, R.A, Rowsell, S, Breed, J.
登録日2006-06-07
公開日2006-11-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor.
J.Med.Chem., 49, 2006
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