8FJU
 
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor | | 分子名称: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2022-12-20 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
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4XQW
 | | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-20 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FEX
 | | HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the reaction) | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | 登録日 | 2015-12-17 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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4XPV
 | | Neutron and X-ray structure analysis of xylanase: N44D at pH6 | | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-18 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7L0A
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8F8K
 | | The structure of Rv2173 from M. tuberculosis with IPP bound | | 分子名称: | (2E,6E)-farnesyl diphosphate synthase, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, ... | | 著者 | Johnston, J.M, Allison, T.M, Titterington, J, Beasley, C.P.H. | | 登録日 | 2022-11-22 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
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8F8F
 | | The structure of Rv2173 from M. tuberculosis (APO form) | | 分子名称: | (2E,6E)-farnesyl diphosphate synthase, GLYCEROL, MAGNESIUM ION | | 著者 | Johnston, J.M, Allison, T.M, Titterington, J. | | 登録日 | 2022-11-22 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
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8F8L
 | | The structure of Rv2173 from M. tuberculosis with DMAP bound | | 分子名称: | (2E,6E)-farnesyl diphosphate synthase, CALCIUM ION, DIMETHYLALLYL DIPHOSPHATE, ... | | 著者 | Johnston, J.M, Allison, T.M, Titterington, J. | | 登録日 | 2022-11-22 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
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5FXC
 | | Crystal structure of glycopeptide 22 in complex with scFv-SM3 | | 分子名称: | 1,2-ETHANEDIOL, GLYCOPEPTIDE, SCFV-SM3 | | 著者 | Rojas-Ocariz, V, Companon, I, Aydillo, C, Castro-Lopez, J, Jimenez-Barbero, J, Hurtado-Guerrero, R, Avenoza, A, Zurbano, M.M, Corzana, F, Busto, J.H, Peregrina, J.M. | | 登録日 | 2016-02-29 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Design of Alpha-S-Glycopeptides Derived from Muc1 with a Flexible and Solvent Exposed Sugar Moiety
J.Org.Chem., 81, 2016
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5FQQ
 | | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | | 登録日 | 2015-12-14 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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5GLA
 | | Crystal structure of the class A beta-lactamase PenL-tTR10 containing 10 residues insertion in omega-loop | | 分子名称: | Beta-lactamase | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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5GL9
 | | Crystal structure of the class A beta-lactamase PenL | | 分子名称: | Beta-lactamase, GLYCEROL | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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4XQ4
 | | X-ray structure analysis of xylanase - N44D | | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-19 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8FYZ
 | | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13) | | 分子名称: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ... | | 著者 | Rouleau-Turcotte, E, Pascal, J.M. | | 登録日 | 2023-01-27 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
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8FYY
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8G0H
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8FZ1
 | | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14) | | 分子名称: | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | | 著者 | Rouleau-Turcotte, E, Pascal, J.M. | | 登録日 | 2023-01-27 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
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7SPV
 | | Crystal structure of photoactive yellow protein (PYP); F92oCNF construct | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Weaver, J.B, Kirsh, J.M, Boxer, S.G. | | 登録日 | 2021-11-03 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
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7SPW
 | | Crystal structure of photoactive yellow protein (PYP); F62oCNF construct | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Weaver, J.B, Kirsh, J.M, Boxer, S.G. | | 登録日 | 2021-11-03 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
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7SPX
 | | Crystal structure of photoactive yellow protein (PYP); F28oCNF construct | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Weaver, J.B, Kirsh, J.M, Boxer, S.G. | | 登録日 | 2021-11-03 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | | 主引用文献 | Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
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7T8Y
 | | Structure of Class A sortase from Streptococcus pyogenes bound to lipid II mimetic, LPATA: Thr-in conformation | | 分子名称: | ACE-ALA-ZGL-LYS-DAL-DAL, BE2-LEU-PRO-ALA-THR-ALA-ALA, Sortase | | 著者 | Piper, I.M, Antos, J.M, Amacher, J.F. | | 登録日 | 2021-12-17 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
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5GLB
 | | Crystal structure of the class A beta-lactamase PenL-tTR10 in complex with CBA | | 分子名称: | Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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8GIU
 | | Mycobacterium phage Patience | | 分子名称: | Capsid protein, gp_22 (Minor Capsid Protein), gp_4 (capsid accessory protein) | | 著者 | Podgorski, J.M, White, S.J. | | 登録日 | 2023-03-14 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.39 Å) | | 主引用文献 | A novel accessory protein stabilizes the capsid of two actinobacteriophages
To Be Published
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7SX1
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7T0Q
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