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4ZZJ
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SIRT1/Activator/Substrate Complex
分子名称: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7403 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4E5P
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Thermostable phosphite dehydrogenase A176R variant in complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase A176R variant
著者Zou, Y, Zhang, H, Nair, S.K.
登録日2012-03-14
公開日2012-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4EBF
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BU of 4ebf by Molmil
SeMet thermostable phosphite dehydrogenase Glu175-Ala mutant
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase
著者Zou, Y, Zhang, H, Nair, S.K.
登録日2012-03-23
公開日2012-05-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4E5K
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BU of 4e5k by Molmil
Thermostable phosphite dehydrogenase in complex with NAD and sulfite
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphite dehydrogenase (thermostable variant), SULFITE ION
著者Zou, Y, Zhang, H, Nair, S.K.
登録日2012-03-14
公開日2012-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4E5N
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BU of 4e5n by Molmil
Thermostable phosphite dehydrogenase in complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase
著者Zou, Y, Zhang, H, Nair, S.K.
登録日2012-03-14
公開日2012-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4E5M
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BU of 4e5m by Molmil
Thermostable phosphite dehydrogenase E175A/A176R in complex with NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thermostable phosphite dehydrogenase
著者Zou, Y, Zhang, H, Nair, S.K.
登録日2012-03-14
公開日2012-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
5B6I
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BU of 5b6i by Molmil
Structure of fluorinase from Streptomyces sp. MA37
分子名称: ADENOSINE, Fluorinase, METHIONINE
著者Xue, B, Robinson, R.C.
登録日2016-05-29
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Directed Evolution of a Fluorinase for Improved Fluorination Efficiency with a Non-native Substrate
Angew.Chem.Int.Ed.Engl., 55, 2016
3OK8
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BU of 3ok8 by Molmil
I-BAR OF PinkBAR
分子名称: Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 2, GLYCEROL
著者Boczkowska, M, Rebowski, G, Saarikangas, J, Lappalainen, P, Dominguez, R.
登録日2010-08-24
公開日2011-07-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Pinkbar is an epithelial-specific BAR domain protein that generates planar membrane structures.
Nat.Struct.Mol.Biol., 18, 2011
5U6D
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BU of 5u6d by Molmil
Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
分子名称: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
4G59
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BU of 4g59 by Molmil
Crystal structure of the murine cytomegalovirus MHC-I homolog m152 with ligand RAE-1 gamma
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, M152 protein, Retinoic acid early-inducible protein 1-gamma
著者Wang, R, Natarajan, K, Margulies, D.H.
登録日2012-07-17
公開日2012-12-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural basis of mouse cytomegalovirus m152/gp40 interaction with RAE1gamma reveals a paradigm for MHC/MHC interaction in immune evasion.
Proc.Natl.Acad.Sci.USA, 109, 2012
5XS5
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BU of 5xs5 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus procapsid particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
4HGS
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BU of 4hgs by Molmil
Crystal structure of ck1gs with compound 13
分子名称: 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3
著者Huang, X.
登録日2012-10-08
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of ck1gs with compound 13
Acs Med.Chem.Lett
5U8F
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BU of 5u8f by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
分子名称: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-14
公開日2017-03-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.343 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U69
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BU of 5u69 by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
分子名称: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U8A
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BU of 5u8a by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
分子名称: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-14
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
3O50
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BU of 3o50 by Molmil
Crystal structure of benzamide 9 bound to AuroraA
分子名称: N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
著者Huang, X.
登録日2010-07-27
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
6VKV
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BU of 6vkv by Molmil
Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2020-01-22
公開日2020-10-21
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
3O51
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BU of 3o51 by Molmil
Crystal structure of anthranilamide 10 bound to AuroraA
分子名称: N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
著者Huang, X.
登録日2010-07-27
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3CP9
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Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
分子名称: 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3CPB
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BU of 3cpb by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor
分子名称: N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
9J66
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BU of 9j66 by Molmil
Cryo-EM structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment CAV-C65 (local refinement)
分子名称: CAV-C65 Heavy chain, CAV-C65 Light chain, Spike protein S1
著者Jing, X, Chen, Y, Gong, P.
登録日2024-08-15
公開日2025-03-12
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献IgA class switching enhances neutralizing potency against SARS-CoV-2 by increased antibody hinge flexibility.
Antiviral Res., 235, 2025
4ZMJ
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BU of 4zmj by Molmil
Crystal Structure of Ligand-Free BG505 SOSIP.664 HIV-1 Env Trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2015-05-04
公開日2015-06-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env.
Nat.Struct.Mol.Biol., 22, 2015
5CAM
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BU of 5cam by Molmil
Crystal Structure of the Cytoplasmic Domain of the Pseudomonas putida Anti-sigma Factor PupR (SeMet)
分子名称: PupR protein
著者Jensen, J.L, Colbert, C.L.
登録日2015-06-29
公開日2015-09-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.171 Å)
主引用文献Mechanistic Implications of the Unique Structural Features and Dimerization of the Cytoplasmic Domain of the Pseudomonas Sigma Regulator, PupR.
Biochemistry, 54, 2015
5COS
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BU of 5cos by Molmil
Crystal Structure of the Cytoplasmic Domain of the Pseudomonas putida Anti-sigma Factor PupR
分子名称: Siderophore-interacting protein
著者Jensen, J.L, Colbert, C.L.
登録日2015-07-20
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Mechanistic Implications of the Unique Structural Features and Dimerization of the Cytoplasmic Domain of the Pseudomonas Sigma Regulator, PupR.
Biochemistry, 54, 2015
1QPJ
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CRYSTAL STRUCTURE OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH STAUROSPORINE.
分子名称: LCK TYROSINE KINASE, STAUROSPORINE, SULFATE ION
著者Zhu, X, Kim, J.L, Rose, P.E, Stover, D.R, Toledo, L.M.
登録日1999-05-25
公開日2000-05-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999

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