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7KXO
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BU of 7kxo by Molmil
BTK1 SOAKED WITH COMPOUND 24
分子名称: 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK
著者Viacava Follis, A.
登録日2020-12-04
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
7KXN
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BU of 7kxn by Molmil
BTK1 SOAKED WITH COMPOUND 26
分子名称: 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK
著者Viacava Follis, A.
登録日2020-12-04
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
7KXP
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BU of 7kxp by Molmil
BTK1 SOAKED WITH COMPOUND 25
分子名称: 3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Viacava Follis, A.
登録日2020-12-04
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
7KXQ
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BU of 7kxq by Molmil
BTK1 SOAKED WITH COMPOUND 30
分子名称: 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK
著者Viacava Follis, A.
登録日2020-12-04
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
7KXM
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BU of 7kxm by Molmil
BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED
分子名称: 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2020-12-04
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
8HGR
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BU of 8hgr by Molmil
The apo-flavodoxin monomer from Synechococcus elongatus PCC 7942
分子名称: CHLORIDE ION, Flavodoxin, MAGNESIUM ION
著者Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P.
登録日2022-11-15
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
8HGQ
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BU of 8hgq by Molmil
The apo-flavodoxin dimer from Synechococcus elongatus PCC 7942
分子名称: Flavodoxin, PHOSPHATE ION
著者Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P.
登録日2022-11-15
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
6A2H
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BU of 6a2h by Molmil
Architectural roles of Cren7 in folding crenarchaeal chromatin filament
分子名称: Chromatin protein Cren7, DNA (5'-D(P*AP*AP*TP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*AP*TP*T)-3')
著者Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L.
登録日2018-06-11
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Architectural roles of Cren7 in folding crenarchaeal chromatin filament.
Mol. Microbiol., 111, 2019
6A2I
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BU of 6a2i by Molmil
Architectural roles of Cren7 in folding crenarchaeal chromatin filament
分子名称: Chromatin protein Cren7, DNA (5'-D(*CP*GP*TP*AP*GP*CP*TP*AP*AP*TP*TP*AP*GP*CP*TP*AP*CP*G)-3')
著者Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L.
登録日2018-06-11
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Architectural roles of Cren7 in folding crenarchaeal chromatin filament.
Mol. Microbiol., 111, 2019
5YC6
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BU of 5yc6 by Molmil
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6
分子名称: 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ...
著者Jiang, L.G, Zhang, X, Huang, M.D.
登録日2017-09-06
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
5YC7
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BU of 5yc7 by Molmil
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH7.4
分子名称: 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, Urokinase-type plasminogen activator
著者Jiang, L.G, Zhang, X, Huang, M.D.
登録日2017-09-06
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
5Z1C
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BU of 5z1c by Molmil
The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4
分子名称: 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator
著者Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D.
登録日2017-12-25
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 49, 2018
3RGU
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BU of 3rgu by Molmil
Structure of Fap-NRa at pH 5.0
分子名称: Fimbriae-associated protein Fap1, alpha-D-glucopyranose
著者Garnett, J.A, Matthews, S.J.
登録日2011-04-09
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insight into the role of Streptococcus parasanguinis Fap1 within oral biofilm formation.
Biochem.Biophys.Res.Commun., 417, 2012
7X8C
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BU of 7x8c by Molmil
Crystal structure of a KTSC family protein from Euryarchaeon Methanolobus vulcani
分子名称: KTSC domain-containing protein, SODIUM ION
著者Zhang, Z.F, Zhu, K.L, Chen, Y.Y, Cao, P, Gong, Y.
登録日2022-03-12
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Biochemical and structural characterization of a KTSC family single-stranded DNA-binding protein from Euryarchaea.
Int.J.Biol.Macromol., 216, 2022
5ZL4
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BU of 5zl4 by Molmil
Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 wihout its lid in complex with GF2
分子名称: DFA-IIIase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Yu, S.H, Shen, H, Li, X, Mu, W.M.
登録日2018-03-26
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
5ZKW
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BU of 5zkw by Molmil
Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with GF2
分子名称: DFA-IIIase, alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose
著者Yu, S.H, Shen, H, Li, X, Mu, W.M.
登録日2018-03-26
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
5ZLA
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BU of 5zla by Molmil
Crystal structure of mutant C387A of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III
分子名称: (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol, DFA-IIIase C387A mutant
著者Yu, S.H, Shen, H, Li, X, Mu, W.M.
登録日2018-03-27
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
5ZKY
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BU of 5zky by Molmil
Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 without its lid
分子名称: DFA-IIIase
著者Yu, S.H, Shen, H, Li, X, Mu, W.M.
登録日2018-03-26
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
5ZKS
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BU of 5zks by Molmil
Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6
分子名称: DFA-IIIase
著者Yu, S.H, Shen, H, Li, X, Mu, W.M.
登録日2018-03-26
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
5ZL5
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BU of 5zl5 by Molmil
Crystal structure of DFA-IIIase mutant C387A from Arthrobacter chlorophenolicus A6
分子名称: DFA-IIIase C387A mutant, GLYCEROL
著者Yu, S.H, Shen, H, Li, X, Mu, W.M.
登録日2018-03-26
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
5ZKU
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BU of 5zku by Molmil
Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III
分子名称: (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol, DFA-IIIase
著者Yu, S.H, Shen, H, Li, X, Mu, W.M.
登録日2018-03-26
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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