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6QTF
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BU of 6qtf by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer
Descriptor: DCY-LEU-GLY-ALA-THR
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-02-25
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYU
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BU of 6qyu by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A
Descriptor: PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QM1
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BU of 6qm1 by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue
Descriptor: DAL-PRO-GLY-CYS-LYS
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-02-01
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYR
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BU of 6qyr by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer
Descriptor: DAL-LEU-GLY-CYS-THR
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
4PV0
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BU of 4pv0 by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor
Descriptor: 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK
Authors:Lansdon, E.B, Mitchell, S.A.
Deposit date:2014-03-14
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
6QYT
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BU of 6qyt by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue
Descriptor: DAL-LEU-SER-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYW
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BU of 6qyw by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A
Descriptor: ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2019-10-02
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYS
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BU of 6qys by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B
Descriptor: DBB-PRO-GLY-CYS-LYS
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYV
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BU of 6qyv by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue
Descriptor: PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2019-10-02
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
4PUZ
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BU of 4puz by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with GS-9973
Descriptor: 6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK
Authors:Lansdon, E.B, Mitchell, S.A.
Deposit date:2014-03-14
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
6VOV
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BU of 6vov by Molmil
Crystal structure of Syk in complex with GS-9876
Descriptor: 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK
Authors:Lansdon, E.B.
Deposit date:2020-01-31
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
4RX5
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BU of 4rx5 by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 23
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ...
Authors:Eigenbrot, C, Yu, C.
Deposit date:2014-12-08
Release date:2015-12-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.356 Å)
Cite:Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability.
Bioorg.Med.Chem.Lett., 26, 2016
4OTF
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BU of 4otf by Molmil
Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834
Descriptor: N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
Authors:Hymowitz, S.G, Maurer, B.
Deposit date:2014-02-13
Release date:2015-01-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.
Bioorg.Med.Chem.Lett., 25, 2015
3P08
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BU of 3p08 by Molmil
Crystal structure of the human BTK kinase domain
Descriptor: Tyrosine-protein kinase BTK
Authors:Yu, C.L, Hymowitz, S.G.
Deposit date:2010-09-27
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel, specific BTK inhibitor antagonizes BCR and FcgR signaling and suppresses inflammatory arthritis
To be Published
5VGO
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BU of 5vgo by Molmil
Bruton's tyrosine kinase (BTK) with compound G-744
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ...
Authors:Yu, C, Eigenbrot, C.
Deposit date:2017-04-11
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.
ACS Med Chem Lett, 8, 2017

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