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5WVW
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The crystal structure of Cren7 mutant L28A in complex with dsDNA
分子名称: Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3')
著者Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
登録日2016-12-29
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
5WWC
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BU of 5wwc by Molmil
The crystal structure of Cren7 mutant L28M in complex with dsDNA
分子名称: Chromatin protein Cren7, DNA (5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3')
著者Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
登録日2016-12-31
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
5WVY
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BU of 5wvy by Molmil
The crystal structure of Cren7 mutant L28V in complex with dsDNA
分子名称: Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3')
著者Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
登録日2016-12-29
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
5F5N
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BU of 5f5n by Molmil
The structure of monooxygenase KstA11 in complex with NAD and its substrate
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Pan, L, Gong, Y.
登録日2015-12-04
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.304 Å)
主引用文献Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7FAJ
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CARM1 bound with compound 43
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2450726 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09749269 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
5F5L
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BU of 5f5l by Molmil
The structure of monooxygenase KstA11 in the biosynthetic pathway of kosinostatin
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Monooxygenase
著者Pan, L, Gong, Y.
登録日2015-12-04
公開日2016-12-21
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
著者Li, W, Feng, W.
登録日2019-07-31
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
3D8X
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BU of 3d8x by Molmil
Crystal Structure of Saccharomyces cerevisiae NDPPH Dependent Thioredoxin Reductase 1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1
著者Zhang, Z.Y, Bao, R, Yu, J, Chen, Y.X, Zhou, C.-Z.
登録日2008-05-26
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae cytoplasmic thioredoxin reductase Trr1 reveals the structural basis for species-specific recognition of thioredoxin
Biochim.Biophys.Acta, 1794, 2009
7TLE
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BU of 7tle by Molmil
Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S)
分子名称: (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ziyang, Z, Guiley, K.Z, Shokat, K.M.
登録日2022-01-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98716748 Å)
主引用文献Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
7TLK
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Crystal Structure of K-Ras(G12S)
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Ziyang, Z, Guiley, K.Z, Shokat, K.M.
登録日2022-01-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71102226 Å)
主引用文献Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
7TLG
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BU of 7tlg by Molmil
Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S)
分子名称: (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ziyang, Z, Guiley, K.Z, Shokat, K.M.
登録日2022-01-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.80000722 Å)
主引用文献Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
2N5X
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BU of 2n5x by Molmil
C-terminal domain of Cdc37 cochaperone
分子名称: Hsp90 co-chaperone Cdc37
著者Keramisanou, D, Dudhat, A, Pare, M.
登録日2015-08-02
公開日2015-10-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The C-terminal domain of human Cdc37 studied by solution NMR.
J.Biomol.Nmr, 63, 2015
8IDN
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BU of 8idn by Molmil
Cryo-EM structure of RBD/E77-Fab complex
分子名称: E77 Fab heavy chain, E77 Fab light chain, Spike protein S1, ...
著者Lu, D.F, Zhang, Z.C.
登録日2023-02-13
公開日2023-06-21
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献The structure of the RBD-E77 Fab complex reveals neutralization and immune escape of SARS-CoV-2.
Acta Crystallogr D Struct Biol, 79, 2023
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
3Q8H
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BU of 3q8h by Molmil
Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
分子名称: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-06
公開日2011-01-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
2JX0
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BU of 2jx0 by Molmil
The paxillin-binding domain (PBD) of G Protein Coupled Receptor (GPCR)-kinase (GRK) interacting protein 1 (GIT1)
分子名称: ARF GTPase-activating protein GIT1
著者Zhang, Z, Guibao, C.D, Simmerman, J.A, Zheng, J.
登録日2007-11-01
公開日2008-04-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献GIT1 paxillin-binding domain is a four-helix bundle, and it binds to both paxillin LD2 and LD4 motifs.
J.Biol.Chem., 283, 2008
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
3KE1
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BU of 3ke1 by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine, POTASSIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-23
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 8, 2013
4H5N
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BU of 4h5n by Molmil
HSC70 NBD with PO4, Na, Cl
分子名称: CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4H5W
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HSC70 NBD with betaine
分子名称: ACETATE ION, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
著者Stec, B.
登録日2012-09-19
公開日2014-03-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4H5T
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BU of 4h5t by Molmil
HSC70 NBD with ADP and Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4H5V
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HSC70 NBD with Mg
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4H5R
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BU of 4h5r by Molmil
HSC70 NBD with Na, Cl and glycerol
分子名称: CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4LWV
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The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353
分子名称: (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Graves, B.J, Lukacs, C, Janson, C.A.
登録日2013-07-28
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development.
ACS MED.CHEM.LETT., 5, 2014

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