3DFZ
 
 | | SirC, precorrin-2 dehydrogenase | | 分子名称: | GLYCEROL, Precorrin-2 dehydrogenase, SULFATE ION | | 著者 | Schubert, H.L, Hill, C.P, Warren, M.J. | | 登録日 | 2008-06-12 | | 公開日 | 2008-10-21 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure and function of SirC from Bacillus megaterium: a metal-binding precorrin-2 dehydrogenase
Biochem.J., 415, 2008
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6HMY
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4PUP
 | | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Burkholderia cenocepacia J2315 | | 分子名称: | Uncharacterized protein | | 著者 | Halavaty, A.S, Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Minasov, G, Jedrzejczak, R, Shuvalova, L, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-03-13 | | 公開日 | 2014-04-16 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Burkholderia cenocepacia J2315
To be Published
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8VXE
 | | Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | | 分子名称: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | | 著者 | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | | 登録日 | 2024-02-04 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
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3VHZ
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6XTB
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1W7H
 | | p38 Kinase crystal structure in complex with small molecule inhibitor | | 分子名称: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | 著者 | Jhoti, H, Gill, A, Cleasby, A, Devine, L. | | 登録日 | 2004-09-02 | | 公開日 | 2005-02-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.214 Å) | | 主引用文献 | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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1WBT
 | | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | | 分子名称: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | 著者 | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | | 登録日 | 2004-11-05 | | 公開日 | 2005-11-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
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7O46
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7OC8
 | | Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | 著者 | Haataja, T, Sandgren, M, Stahlberg, J. | | 登録日 | 2021-04-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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7NYT
 | | Trichoderma reesei Cel7A E212Q mutant in complex with lactose. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | 著者 | Haataja, T, Sandgren, M, Stahlberg, J. | | 登録日 | 2021-03-23 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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7ORW
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | | 分子名称: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORU
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORV
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORR
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | | 分子名称: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7OS7
 | | Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant | | 分子名称: | 30S ribosomal protein S6,30S ribosomal protein S6 | | 著者 | Wang, H, Logan, D.T, Oliveberg, M. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant
To Be Published
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7OOM
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7OC1
 | | Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | | 登録日 | 2021-04-25 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
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7OC0
 | | Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid | | 分子名称: | (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | | 登録日 | 2021-04-25 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
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5WN9
 | | Structure of antibody 2D10 bound to the central conserved region of RSV G | | 分子名称: | Major surface glycoprotein G, scFv 2D10 | | 著者 | Fedechkin, S.O, George, N.L, Wolff, J.T, Kauvar, L.M, DuBois, R.M. | | 登録日 | 2017-07-31 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.551 Å) | | 主引用文献 | Structures of respiratory syncytial virus G antigen bound to broadly neutralizing antibodies.
Sci Immunol, 3, 2018
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8P22
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376. | | 分子名称: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine, Acetylcholine-binding protein, GLYCEROL, ... | | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | 登録日 | 2023-05-14 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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8P1E
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. | | 分子名称: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | 登録日 | 2023-05-11 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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4UNI
 | | beta-(1,6)-galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 in complex with galactose | | 分子名称: | BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Viborg, A.H, Fredslund, F, Katayama, T, Nielsen, S.K, Svensson, B, Kitaoka, M, Lo Leggio, L, Abou Hachem, M. | | 登録日 | 2014-05-28 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A beta 1-6/ beta 1-3 galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 gives insight into sub-specificities of beta-galactoside catabolism within Bifidobacterium.
Mol. Microbiol., 2014
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4UM3
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 | | 分子名称: | 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ... | | 著者 | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | 登録日 | 2014-05-14 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | | 主引用文献 | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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4UOQ
 | | Nucleophile mutant (E324A) of beta-(1,6)-galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 | | 分子名称: | BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | 著者 | Viborg, A.H, Fredslund, F, Katayama, T, Nielsen, S.K, Svensson, B, Kitaoka, M, Lo Leggio, L, Abou Hachem, M. | | 登録日 | 2014-06-09 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A beta 1-6/ beta 1-3 galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 gives insight into sub-specificities of beta-galactoside catabolism within Bifidobacterium.
Mol. Microbiol., 2014
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