7KXL
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![BU of 7kxl by Molmil](/molmil-images/mine/7kxl) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXO
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![BU of 7kxo by Molmil](/molmil-images/mine/7kxo) | BTK1 SOAKED WITH COMPOUND 24 | Descriptor: | 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 | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXP
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![BU of 7kxp by Molmil](/molmil-images/mine/7kxp) | BTK1 SOAKED WITH COMPOUND 25 | Descriptor: | 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 | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXN
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![BU of 7kxn by Molmil](/molmil-images/mine/7kxn) | BTK1 SOAKED WITH COMPOUND 26 | Descriptor: | 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 | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXM
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![BU of 7kxm by Molmil](/molmil-images/mine/7kxm) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 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 | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXQ
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![BU of 7kxq by Molmil](/molmil-images/mine/7kxq) | BTK1 SOAKED WITH COMPOUND 30 | Descriptor: | 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 | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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8HGR
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![BU of 8hgr by Molmil](/molmil-images/mine/8hgr) | The apo-flavodoxin monomer from Synechococcus elongatus PCC 7942 | Descriptor: | CHLORIDE ION, Flavodoxin, MAGNESIUM ION | Authors: | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | Deposit date: | 2022-11-15 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin. Biochem.Biophys.Res.Commun., 639, 2022
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8HGQ
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![BU of 8hgq by Molmil](/molmil-images/mine/8hgq) | The apo-flavodoxin dimer from Synechococcus elongatus PCC 7942 | Descriptor: | Flavodoxin, PHOSPHATE ION | Authors: | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | Deposit date: | 2022-11-15 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin. Biochem.Biophys.Res.Commun., 639, 2022
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6A2H
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![BU of 6a2h by Molmil](/molmil-images/mine/6a2h) | Architectural roles of Cren7 in folding crenarchaeal chromatin filament | Descriptor: | 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') | Authors: | Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L. | Deposit date: | 2018-06-11 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Architectural roles of Cren7 in folding crenarchaeal chromatin filament. Mol. Microbiol., 111, 2019
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6A2I
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![BU of 6a2i by Molmil](/molmil-images/mine/6a2i) | Architectural roles of Cren7 in folding crenarchaeal chromatin filament | Descriptor: | 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') | Authors: | Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L. | Deposit date: | 2018-06-11 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Architectural roles of Cren7 in folding crenarchaeal chromatin filament. Mol. Microbiol., 111, 2019
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5YC7
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![BU of 5yc7 by Molmil](/molmil-images/mine/5yc7) | |
7X8C
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![BU of 7x8c by Molmil](/molmil-images/mine/7x8c) | Crystal structure of a KTSC family protein from Euryarchaeon Methanolobus vulcani | Descriptor: | KTSC domain-containing protein, SODIUM ION | Authors: | Zhang, Z.F, Zhu, K.L, Chen, Y.Y, Cao, P, Gong, Y. | Deposit date: | 2022-03-12 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Biochemical and structural characterization of a KTSC family single-stranded DNA-binding protein from Euryarchaea. Int.J.Biol.Macromol., 216, 2022
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5Z1C
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![BU of 5z1c by Molmil](/molmil-images/mine/5z1c) | The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | Descriptor: | 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator | Authors: | Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. | Deposit date: | 2017-12-25 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
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3RGU
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![BU of 3rgu by Molmil](/molmil-images/mine/3rgu) | Structure of Fap-NRa at pH 5.0 | Descriptor: | Fimbriae-associated protein Fap1, alpha-D-glucopyranose | Authors: | Garnett, J.A, Matthews, S.J. | Deposit date: | 2011-04-09 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insight into the role of Streptococcus parasanguinis Fap1 within oral biofilm formation. Biochem.Biophys.Res.Commun., 417, 2012
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5ZLA
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![BU of 5zla by Molmil](/molmil-images/mine/5zla) | Crystal structure of mutant C387A of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III | Descriptor: | (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 | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | Deposit date: | 2018-03-27 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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5ZKW
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![BU of 5zkw by Molmil](/molmil-images/mine/5zkw) | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with GF2 | Descriptor: | DFA-IIIase, alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | Deposit date: | 2018-03-26 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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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5ZL5
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![BU of 5zl5 by Molmil](/molmil-images/mine/5zl5) | Crystal structure of DFA-IIIase mutant C387A from Arthrobacter chlorophenolicus A6 | Descriptor: | DFA-IIIase C387A mutant, GLYCEROL | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | Deposit date: | 2018-03-26 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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5ZKU
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![BU of 5zku by Molmil](/molmil-images/mine/5zku) | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III | Descriptor: | (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 | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | Deposit date: | 2018-03-26 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | 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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5ZL4
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![BU of 5zl4 by Molmil](/molmil-images/mine/5zl4) | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 wihout its lid in complex with GF2 | Descriptor: | DFA-IIIase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | Deposit date: | 2018-03-26 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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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5ZKY
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![BU of 5zky by Molmil](/molmil-images/mine/5zky) | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 without its lid | Descriptor: | DFA-IIIase | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | Deposit date: | 2018-03-26 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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5ZKS
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![BU of 5zks by Molmil](/molmil-images/mine/5zks) | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 | Descriptor: | DFA-IIIase | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | Deposit date: | 2018-03-26 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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