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6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
分子名称: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6JFM
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BU of 6jfm by Molmil
Mitofusin2 (MFN2)_T111D
分子名称: ACETATE ION, CALCIUM ION, Mitofusin-2,Mitofusin-2
著者Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S.
登録日2019-02-10
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset.
Nat Commun, 10, 2019
6NSI
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BU of 6nsi by Molmil
Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis
分子名称: CALCIUM ION, FE (III) ION, Manganese-binding protein, ...
著者Luo, Z, Campbell, R, Begg, S.L, Kobe, B, McDevitt, C.A.
登録日2019-01-24
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.00006342 Å)
主引用文献Structure and Metal Binding Properties of Chlamydia trachomatis YtgA.
J.Bacteriol., 202, 2019
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
分子名称: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6MPV
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BU of 6mpv by Molmil
Cryo-electron microscopy structure of Plasmodium falciparum Rh5/CyRPA/Ripr invasion complex
分子名称: Cysteine-rich protective antigen, PfRipr, Reticulocyte binding protein 5
著者Wilson, W, Zhiheng, Y, Cowman, A.F.
登録日2018-10-08
公開日2018-12-12
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (7.17 Å)
主引用文献Structure of Plasmodium falciparum Rh5-CyRPA-Ripr invasion complex.
Nature, 565, 2019
6OND
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BU of 6ond by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, reduced
分子名称: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ...
著者Wittenborn, E.C, Cohen, S.E, Drennan, C.L.
登録日2019-04-21
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
6JFK
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BU of 6jfk by Molmil
GDP bound Mitofusin2 (MFN2)
分子名称: CITRIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S.
登録日2019-02-10
公開日2019-11-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset.
Nat Commun, 10, 2019
5OVZ
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BU of 5ovz by Molmil
High resolution structure of the PBP NocT in complex with nopaline
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ...
著者Vigouroux, A, Morera, S.
登録日2017-08-30
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
7OBH
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BU of 7obh by Molmil
Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-22
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBX
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BU of 7obx by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-23
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBY
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BU of 7oby by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-24
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBG
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BU of 7obg by Molmil
Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-22
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBS
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BU of 7obs by Molmil
Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-23
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBD
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BU of 7obd by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-21
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OB8
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BU of 7ob8 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-21
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBT
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BU of 7obt by Molmil
Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-23
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBK
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BU of 7obk by Molmil
Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-22
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OB5
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BU of 7ob5 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-21
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBL
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BU of 7obl by Molmil
Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, FUSICOCCIN, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-22
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBC
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BU of 7obc by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-21
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
5Z36
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BU of 5z36 by Molmil
An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with PDM
分子名称: 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione, TxnO9
著者Song, Y.J, Cao, C.Y.
登録日2018-01-05
公開日2018-12-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Enzymology of Anthraquinone-gamma-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z4E
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BU of 5z4e by Molmil
An anthrahydroquino-Gama-pyrone synthase Txn09
分子名称: TxnO9
著者Song, Y.J, Cao, C.Y.
登録日2018-01-11
公開日2018-12-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Enzymology of Anthraquinone-gamma-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z4F
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BU of 5z4f by Molmil
An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with SUM
分子名称: 1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione, TxnO9
著者Song, Y.J, Cao, C.Y.
登録日2018-01-11
公開日2019-01-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Enzymology of Anthraquinone-gamma-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 57, 2018
6AMB
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BU of 6amb by Molmil
Crystal Structure of the Afadin RA1 domain in complex with HRAS
分子名称: Afadin, GTPase HRas, MAGNESIUM ION, ...
著者Smith, M.J, Ishiyama, N, Ikura, M.
登録日2017-08-09
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evolution of AF6-RAS association and its implications in mixed-lineage leukemia.
Nat Commun, 8, 2017
5D10
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BU of 5d10 by Molmil
Kinase domain of cSrc in complex with RL236
分子名称: N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者Becker, C, Mayer-Wrangowski, S.C, Julian, E, Rauh, D.
登録日2015-08-03
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015

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件を2024-08-28に公開中

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