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7UO0
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BU of 7uo0 by Molmil
E.coli RNaseP Holoenzyme with Mg2+
分子名称: CALCIUM ION, Precursor tRNA substrate G(-1) G(-2), RNase P RNA, ...
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
7UO1
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BU of 7uo1 by Molmil
E.coli RNaseP Holoenzyme with Mg2+
分子名称: CALCIUM ION, E.coli RNase P RNA, Precursor tRNA substrate U(-1) and A(-2), ...
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
7UO2
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BU of 7uo2 by Molmil
E.coli RNaseP Holoenzyme with Mg2+
分子名称: MAGNESIUM ION, RNase P RNA, Ribonuclease P protein component
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
7UO5
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BU of 7uo5 by Molmil
E.coli RNaseP Holoenzyme with Mg2+
分子名称: CALCIUM ION, RNase P RNA, Ribonuclease P protein component
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
3RO2
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BU of 3ro2 by Molmil
Structures of the LGN/NuMA complex
分子名称: G-protein-signaling modulator 2, GLYCEROL, peptide of Nuclear mitotic apparatus protein 1
著者Shang, Y, Wei, Z.
登録日2011-04-25
公開日2012-03-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
5NGH
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BU of 5ngh by Molmil
Structure of Odorant Binding Protein 3 from Giant Panda (Ailuropoda melanoleuca)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Odorant Binding Protein 3
著者Cambillau, C, Spinelli, S, Pelosi, P.
登録日2017-03-17
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Reverse chemical ecology: Olfactory proteins from the giant panda and their interactions with putative pheromones and bamboo volatiles.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4U0L
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BU of 4u0l by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D131A-D133A
分子名称: Cyclic AMP-GMP synthase
著者Xiang, Y, Zhu, D.Y.
登録日2014-07-12
公開日2014-09-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0N
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BU of 4u0n by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) deletion mutant D-loop
分子名称: Cyclic AMP-GMP synthase, MAGNESIUM ION, N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid
著者Xiang, Y, Zhu, D.Y.
登録日2014-07-12
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U03
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BU of 4u03 by Molmil
Structure of the vibrio cholerae di-nucleotide cyclase (DncV) in complex with GTP and 5MTHFGLU2
分子名称: Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhu, D.Y, Xiang, Y.
登録日2014-07-11
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0M
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BU of 4u0m by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D193N in complex with ATP, GTP and 5MTHFGLU2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhu, D, Xiang, Y.
登録日2014-07-12
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
7YTL
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BU of 7ytl by Molmil
Structure of a oxidoreductase in complex with quinone
分子名称: Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1
著者Lv, Y, Sun, Q, Wang, Q, Zhu, D.
登録日2022-08-15
公開日2023-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural insights into FSP1 catalysis and ferroptosis inhibition.
Nat Commun, 14, 2023
8HK5
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BU of 8hk5 by Molmil
C5aR1-Gi-C5a protein complex
分子名称: C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK3
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BU of 8hk3 by Molmil
C3aR-Gi-apo protein complex
分子名称: C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK2
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BU of 8hk2 by Molmil
C3aR-Gi-C3a protein complex
分子名称: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
7NYJ
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BU of 7nyj by Molmil
Structure of OBP1 from Varroa destructor, form P3<2>21
分子名称: CALCIUM ION, Odorant Binding Protein 1 from Varoa destructor, form P3<2>21, ...
著者Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P.
登録日2021-03-22
公開日2021-07-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
7NZA
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BU of 7nza by Molmil
Structure of OBP1 from Varroa destructor, form P2<1>
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Odorant Binding Protein from Varroa destructor, form P2<1>, ...
著者Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P.
登録日2021-03-23
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3DBE
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BU of 3dbe by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557
分子名称: 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide, Polo-like kinase 1
著者Elling, R.A, Barr, K.J, Romanowski, M.J.
登録日2008-05-31
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5ZYS
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BU of 5zys by Molmil
Structure of Nephrin/MAGI1 complex
分子名称: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Nephrin
著者Weng, Z.F, Shng, Y, Zhu, J.W, Zhang, R.G.
登録日2018-05-28
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling.
J. Am. Soc. Nephrol., 29, 2018
3DBD
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BU of 3dbd by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 094
分子名称: 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide, Polo-like kinase 1
著者Elling, R.A, Barr, K.J, Romanowski, M.J.
登録日2008-05-31
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2YHV
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BU of 2yhv by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-05-06
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
7YVR
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BU of 7yvr by Molmil
Crystal Structure of L-Threonine Aldolase from Neptunomonas marina
分子名称: GLYCEROL, L-threonine aldolase
著者He, Y.Z, Wang, J, Yan, W.P, Zhang, Y, Feng, Y.
登録日2022-08-19
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Engineering of the L-Threonine Aldolase from Neptunomonas marine for the Efficient Synthesis of beta-Hydroxy-alpha-amino Acids via C-C Formation
Acs Catalysis, 2023
2YFX
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BU of 2yfx by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-04-08
公開日2011-05-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014

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