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7WH7
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BU of 7wh7 by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S) with xylotetraose
分子名称: Beta-xylanase, alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, G.Q, Zhang, R.F.
登録日2021-12-30
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S) with xylotetraose
To Be Published
7WHA
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BU of 7wha by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, GLYCEROL
著者Li, G.Q, Zhang, R.F.
登録日2021-12-30
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K)
To Be Published
7WHE
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BU of 7whe by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K) with xylobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, GLYCEROL, ...
著者Li, G.Q, Zhang, R.F.
登録日2021-12-30
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K) with xylobiose
To Be Published
7WH6
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BU of 7wh6 by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S)
分子名称: Beta-xylanase, GLYCEROL, alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, G.Q, Zhang, R.F.
登録日2021-12-30
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S)
To Be Published
3MVM
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BU of 3mvm by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V
分子名称: 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3MVL
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BU of 3mvl by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K
分子名称: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
4RIO
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BU of 4rio by Molmil
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor
分子名称: 4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.S.
登録日2014-10-07
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3C5U
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BU of 3c5u by Molmil
P38 ALPHA map kinase complexed with a benzothiazole based inhibitor
分子名称: 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-02-01
公開日2008-03-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Benzothiazole based inhibitors of p38alpha MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
6NY4
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BU of 6ny4 by Molmil
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor
分子名称: 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.S.
登録日2019-02-11
公開日2019-05-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 10, 2019
7W0W
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BU of 7w0w by Molmil
The novel membrane-proximal sensing mechanism in a broad-ligand binding chemoreceptor McpA of Bacillus velezensis
分子名称: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Feng, H.C, Shen, Q.R, Zhang, R.F.
登録日2021-11-18
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Signal binding at both modules of its dCache domain enables the McpA chemoreceptor of Bacillus velezensis to sense different ligands.
Proc.Natl.Acad.Sci.USA, 119, 2022
5VO6
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BU of 5vo6 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR
分子名称: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.S.
登録日2017-05-02
公開日2017-05-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017

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件を2024-08-28に公開中

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