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1NE3
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BU of 1ne3 by Molmil
Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH0256_1_68; Northeast Structural Genomics Target TT744
分子名称: 30S ribosomal protein S28E
著者Wu, B, Pineda-Lucena, A, Yee, A, Cort, J.R, Ramelot, T.A, Kennedy, M, Edwards, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2002-12-10
公開日2003-12-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum.
Protein Sci., 12, 2003
1OGX
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BU of 1ogx by Molmil
High Resolution Crystal Structure Of Ketosteroid Isomerase Mutant D40N(D38N, Ti Numbering) from Pseudomonas putida Complexed With Equilenin At 2.0 A Resolution.
分子名称: EQUILENIN, STEROID DELTA-ISOMERASE
著者Ha, N.-C, Kim, M.-S, Oh, B.-H.
登録日2003-05-17
公開日2003-05-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detection of Large Pka Perturbation of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes
J.Biol.Chem., 275, 2000
1E3V
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BU of 1e3v by Molmil
Crystal structure of ketosteroid isomerase from Psedomonas putida complexed with deoxycholate
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, STEROID DELTA-ISOMERASE
著者Ha, N.-C, Kim, M.-S, Kim, J.-S, Oh, B.-H.
登録日2000-06-24
公開日2001-03-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detection of Large Pka Perturbations of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes
J.Biol.Chem., 275, 2000
1E3R
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BU of 1e3r by Molmil
Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from Pseudomonas putida complexed with androsten-3beta-ol-17-one
分子名称: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ISOMERASE
著者Ha, N.-C, Kim, M.-S, Hyun, B.-H, Oh, B.-H.
登録日2000-06-22
公開日2001-03-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detection of Large Pka Perturbations of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes
J.Biol.Chem., 275, 2000
7TYQ
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BU of 7tyq by Molmil
TEAD2 bound to Compound 1
分子名称: Transcriptional enhancer factor TEF-4, ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
著者Noland, C.L, Fong, R.
登録日2022-02-14
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
To Be Published
7TYU
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BU of 7tyu by Molmil
TEAD2 bound to Compound 2
分子名称: (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4
著者Noland, C.L, Fong, R.
登録日2022-02-14
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
To Be Published
7TYP
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BU of 7typ by Molmil
TEAD2 bound to GNE-7883
分子名称: (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4
著者Noland, C.L, Fong, R.
登録日2022-02-14
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
To Be Published
1RCS
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BU of 1rcs by Molmil
NMR STUDY OF TRP REPRESSOR-OPERATOR DNA COMPLEX
分子名称: DNA (5'-D(*CP*GP*TP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*AP*CP*G)-3'), TRP REPRESSOR, TRYPTOPHAN
著者Zhao, D, Zheng, Z.
登録日1995-05-12
公開日1996-06-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structures of the trp repressor-operator DNA complex.
J.Mol.Biol., 238, 1994
4QMG
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BU of 4qmg by Molmil
The Structure of MTDH-SND1 Complex Reveals Novel Cancer-Promoting Interactions
分子名称: CESIUM ION, GLYCEROL, Protein LYRIC, ...
著者Guo, F, Stanevich, V, Wan, L, Satyshur, K, Kang, Y, Xing, Y.
登録日2014-06-16
公開日2014-10-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Structural Insights into the Tumor-Promoting Function of the MTDH-SND1 Complex.
Cell Rep, 8, 2014
2MPV
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BU of 2mpv by Molmil
Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli
分子名称: Major fimbrial subunit of aggregative adherence fimbria II AafA
著者Matthews, S.J, Yang, Y, Berry, A.A, Pakharukova, N, Garnett, J.A, Lee, W, Cota, E, Liu, B, Roy, S, Tuittila, M, Marchant, J, Inman, K.G, Ruiz-Perez, F, Mandomando, I, Nataro, J.P, Zavialov, A.V.
登録日2014-06-04
公開日2014-10-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
7SZR
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BU of 7szr by Molmil
NIK bound to inhibitor G02792917
分子名称: 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Liau, N.P.D, Hymowitz, S.G.
登録日2021-11-29
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design.
Bioorg.Med.Chem.Lett., 89, 2023
4EHG
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BU of 4ehg by Molmil
B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor
分子名称: N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2012-04-02
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
4EHE
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BU of 4ehe by Molmil
B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor
分子名称: 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2012-04-02
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
7WJ5
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BU of 7wj5 by Molmil
Cryo-EM structure of human somatostatin receptor 2 complex with its agonist somatostatin delineates the ligand binding specificity
分子名称: Gai1 antibody (scfv16), 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Heo, Y.S, Yoon, E.J, Jeon, Y.E, Yun, J.-H, Ishimoto, N, Woo, H, Park, S.Y, Song, J, Lee, W.T.
登録日2022-01-05
公開日2022-07-13
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Cryo-EM structure of the human somatostatin receptor 2 complex with its agonist somatostatin delineates the ligand-binding specificity.
Elife, 11, 2022
5G2A
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BU of 5g2a by Molmil
The crystal structure of light-driven chloride pump ClR at pH 6.0 with Bromide ion.
分子名称: BROMIDE ION, CHLORIDE PUMPING RHODOPSIN, RETINAL
著者Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
登録日2016-04-07
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5EJJ
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BU of 5ejj by Molmil
Crystal structure of UfSP from C.elegans
分子名称: Ufm1-specific protease
著者Kim, K, Ha, B, Kim, E.E.
登録日2015-11-02
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The MPN domain of Caenorhabditis elegans UfSP modulates both substrate recognition and deufmylation activity
Biochem. Biophys. Res. Commun., 476, 2016
5G2C
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BU of 5g2c by Molmil
The crystal structure of light-driven chloride pump ClR (T102D) mutant at pH 4.5.
分子名称: CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, DI(HYDROXYETHYL)ETHER, ...
著者Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
登録日2016-04-07
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5G54
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BU of 5g54 by Molmil
The crystal structure of light-driven chloride pump ClR at pH 4.5
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
登録日2016-05-19
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5G28
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BU of 5g28 by Molmil
The crystal structure of light-driven chloride pump ClR at pH 6.0.
分子名称: CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, OLEIC ACID, ...
著者Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
登録日2016-04-07
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5G2D
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BU of 5g2d by Molmil
The crystal structure of light-driven chloride pump ClR (T102N) mutant at pH 4.5.
分子名称: CHLORIDE ION, CHLORIDE PUMP RHODOPSIN, DI(HYDROXYETHYL)ETHER, ...
著者Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
登録日2016-04-07
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
6LH8
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BU of 6lh8 by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-07
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
6LHZ
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BU of 6lhz by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-10
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
6JCG
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BU of 6jcg by Molmil
Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography.
分子名称: CACODYLATE ION, Integrase
著者Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H.
登録日2019-01-28
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
分子名称: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
2PE0
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BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
分子名称: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007

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