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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
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
6GQB
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BU of 6gqb by Molmil
Cryo-EM reconstruction of yeast 80S ribosome in complex with mRNA, tRNA and eEF2 (GDP+AlF4/sordarin)
分子名称: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
著者Pellegrino, S, Yusupov, M, Yusupova, G, Hashem, Y.
登録日2018-06-07
公開日2018-07-11
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insights into the Role of Diphthamide on Elongation Factor 2 in mRNA Reading-Frame Maintenance.
J. Mol. Biol., 430, 2018
4X1T
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BU of 4x1t by Molmil
The crystal structure of Arabidopsis thaliana galactolipid synthase MGD1 in complex with UDP
分子名称: 1,2-ETHANEDIOL, Monogalactosyldiacylglycerol synthase 1, chloroplastic, ...
著者Rocha, J, Breton, C.
登録日2014-11-25
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
4WYI
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BU of 4wyi by Molmil
The crystal structure of Arabidopsis thaliana galactolipid synthase, MGD1 (apo-form)
分子名称: Monogalactosyldiacylglycerol synthase 1, chloroplastic
著者Rocha, J, Breton, C.
登録日2014-11-17
公開日2016-02-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
2PIQ
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BU of 2piq by Molmil
androgen receptor LBD with small molecule
分子名称: 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIV
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BU of 2piv by Molmil
Androgen receptor with small molecule
分子名称: 3,5,3'TRIIODOTHYRONINE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIR
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BU of 2pir by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SALICYLALDEHYDE, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIX
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BU of 2pix by Molmil
AR LBD with small molecule
分子名称: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIN
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BU of 2pin by Molmil
Thyroid receptor beta in complex with inhibitor
分子名称: 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE, SULFATE ION, Thyroid hormone receptor beta-1, ...
著者Estebanez-Perpina, E, Jouravel, N, Baxter, J.D, Guy, L.R, Webb, P, Fletterick, R.J.
登録日2007-04-13
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insight into the mode of action of a direct inhibitor of coregulator binding to the thyroid hormone receptor.
Mol.Endocrinol., 21, 2007
2PIU
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BU of 2piu by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIT
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BU of 2pit by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIP
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BU of 2pip by Molmil
Androgen receptor LBD with small molecule
分子名称: 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, 1H-INDOLE-3-CARBOXYLIC ACID, 5-ALPHA-DIHYDROTESTOSTERONE, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIO
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BU of 2pio by Molmil
Androgen receptor LBD with small molecule
分子名称: 2-METHYL-1H-INDOLE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIW
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BU of 2piw by Molmil
Androgen receptor with small molecule
分子名称: 3,5,3'TRIIODOTHYRONINE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PKL
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BU of 2pkl by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, ARA70 peptide, Androgen receptor, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Guy, K.R, Webb, P, Fletterick, R.J.
登録日2007-04-17
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QPY
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BU of 2qpy by Molmil
AR LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ...
著者Estebanez-Perpina, E, Fletterick, R.
登録日2007-07-25
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7R1Y
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BU of 7r1y by Molmil
cryoEM structure of human Nup155 (residues 19-981)
分子名称: Nuclear pore complex protein Nup155
著者Taniguchi, R, Beck, M.
登録日2022-02-03
公開日2022-06-08
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
7S4B
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BU of 7s4b by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963
分子名称: (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-09-08
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
7S3S
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BU of 7s3s by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813
分子名称: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-09-08
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
7S3K
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BU of 7s3k by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530718726
分子名称: 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-09-07
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016

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