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1JV7
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BU of 1jv7 by Molmil
BACTERIORHODOPSIN O-LIKE INTERMEDIATE STATE OF THE D85S MUTANT AT 2.25 ANGSTROM RESOLUTION
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
著者Rouhani, S, Cartailler, J.-P, Facciotti, M.T, Walian, P, Needleman, R, Lanyi, J.K, Glaeser, R.M, Luecke, H.
登録日2001-08-28
公開日2001-10-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of the D85S mutant of bacteriorhodopsin: model of an O-like photocycle intermediate.
J.Mol.Biol., 313, 2001
7Y5G
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BU of 7y5g by Molmil
Cryo-EM structure of a eukaryotic ZnT8 in the presence of zinc
分子名称: ZINC ION, Zinc transporter 8
著者Zhang, S, Fu, C, Luo, Y, Sun, Z, Su, Z, Zhou, X.
登録日2022-06-17
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Cryo-EM structure of a eukaryotic zinc transporter at a low pH suggests its Zn 2+ -releasing mechanism.
J.Struct.Biol., 215, 2022
7Y5H
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BU of 7y5h by Molmil
Cryo-EM structure of a eukaryotic ZnT8 at a low pH
分子名称: ZINC ION, Zinc transporter 8
著者Zhang, S, Fu, C, Luo, Y, Sun, Z, Su, Z, Zhou, X.
登録日2022-06-17
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Cryo-EM structure of a eukaryotic zinc transporter at a low pH suggests its Zn 2+ -releasing mechanism.
J.Struct.Biol., 215, 2022
4U1E
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BU of 4u1e by Molmil
Crystal structure of the eIF3b-CTD/eIF3i/eIF3g-NTD translation initiation complex
分子名称: Eukaryotic translation initiation factor 3 subunit B, Eukaryotic translation initiation factor 3 subunit G, Eukaryotic translation initiation factor 3 subunit I
著者Zhang, S, Erzberger, J.P, Schaefer, T, Ban, N.
登録日2014-07-15
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell, 158, 2014
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
登録日2021-06-02
公開日2022-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
6QMQ
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BU of 6qmq by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ...
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMP
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BU of 6qmp by Molmil
NF-YB/C Heterodimer in Complex with NF-YA Peptide
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMS
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BU of 6qms by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker
分子名称: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
著者Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
登録日2019-02-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QW2
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BU of 6qw2 by Molmil
The Transcriptional Regulator PrfA-A218G mutant from Listeria Monocytogenes
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
6QWF
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BU of 6qwf by Molmil
The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif
分子名称: DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
6QVY
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BU of 6qvy by Molmil
The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.686 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
6QWK
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BU of 6qwk by Molmil
The Transcriptional Regulator PrfA-L140F mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif
分子名称: DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
6QVZ
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BU of 6qvz by Molmil
The Transcriptional Regulator PrfA-L140H mutant from Listeria Monocytogenes
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
6QWH
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BU of 6qwh by Molmil
The Transcriptional Regulator PrfA-L140H mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif
分子名称: DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
5UIS
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BU of 5uis by Molmil
Crystal structure of IRAK4 in complex with compound 12
分子名称: 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIQ
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BU of 5uiq by Molmil
Crystal structure of IRAK4 in complex with compound 9
分子名称: 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIR
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BU of 5uir by Molmil
Crystal structure of IRAK4 in complex with compound 11
分子名称: 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIU
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BU of 5uiu by Molmil
Crystal structure of IRAK4 in complex with compound 30
分子名称: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIT
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BU of 5uit by Molmil
Crystal structure of IRAK4 in complex with compound 14
分子名称: 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
6MNY
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BU of 6mny by Molmil
Crystal structure of mouse BTK kinase domain in complex with compound 9a
分子名称: 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase
著者Han, S, Caspers, N, Ohren, J.O.
登録日2018-10-03
公開日2019-01-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
ACS Med Chem Lett, 10, 2019
7CN8
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BU of 7cn8 by Molmil
Cryo-EM structure of PCoV_GX spike glycoprotein
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, Glycoprotein, ...
著者Wang, X, Yu, J, Zhang, S, Qiao, S, Zeng, J, Tian, L.
登録日2020-07-30
公開日2021-03-03
最終更新日2021-03-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
7CN4
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BU of 7cn4 by Molmil
Cryo-EM structure of bat RaTG13 spike glycoprotein
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, Spike glycoprotein
著者Wang, X, Zhang, S, Qiao, S, Yu, J, Zeng, J, Tian, L.
登録日2020-07-30
公開日2021-03-03
最終更新日2021-03-24
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
3T9T
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BU of 3t9t by Molmil
Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline
分子名称: (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.
登録日2011-08-03
公開日2011-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg.Med.Chem.Lett., 21, 2011
4U1F
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BU of 4u1f by Molmil
Crystal structure of middle domain of eukaryotic translation initiation factor eIF3b
分子名称: Eukaryotic translation initiation factor 3 subunit B
著者Zhang, S, Erzberger, J.P, Schaefer, T, Ban, N.
登録日2014-07-15
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell, 158, 2014
5C26
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BU of 5c26 by Molmil
Crystal structure of SYK in complex with compound 1
分子名称: 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide, GLU-VAL-PTR-GLU-SER-PRO, Tyrosine-protein kinase SYK
著者Han, S, Chang, J.
登録日2015-06-15
公開日2015-10-07
最終更新日2016-02-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Chemmedchem, 11, 2016

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