5NG7
 
 | | Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | | 登録日 | 2017-03-17 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments.
Front Bioeng Biotechnol, 6, 2018
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5LR8
 | | Structure of plastidial phosphorylase Pho1 from Barley | | 分子名称: | Alpha-1,4 glucan phosphorylase, CITRIC ACID, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M. | | 登録日 | 2016-08-18 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
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5M1A
 | | Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand | | 分子名称: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | 著者 | Molina, R, Batuecas, M.T, Hermoso, J.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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5LTX
 | | LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-MET | | 分子名称: | ACETATE ION, Chemotaxis protein, FORMIC ACID, ... | | 著者 | Gavira, J.A, Rico-Gimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | | 登録日 | 2016-09-07 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
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5LKX
 | | Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | | 著者 | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | 登録日 | 2016-07-25 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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5M18
 | | Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | | 分子名称: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | 著者 | Molina, R, Batuecas, M.T, Hermoso, J.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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5NA4
 | | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878 | | 著者 | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | | 登録日 | 2017-02-27 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
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5LQF
 | | CDK1/CyclinB1/CKS2 in complex with NU6102 | | 分子名称: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | 著者 | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | | 登録日 | 2016-08-17 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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5LKU
 | | Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A. | | 分子名称: | COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION | | 著者 | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | 登録日 | 2016-07-25 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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4M9T
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5LY7
 | | Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | | 分子名称: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER | | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | 登録日 | 2016-09-25 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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5LWE
 | | Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon | | 分子名称: | C-C chemokine receptor type 9, CHOLESTEROL, MALONATE ION, ... | | 著者 | Oswald, C, Rappas, M, Kean, J, Dore, A.S, Errey, J.C, Bennett, K, Deflorian, F, Christopher, J.A, Jazayeri, A, Mason, J.S, Congreve, M, Cooke, R.M, Marshall, F.H. | | 登録日 | 2016-09-16 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Intracellular allosteric antagonism of the CCR9 receptor.
Nature, 540, 2016
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4HDU
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5LRA
 | | Plastidial phosphorylase PhoI from barley in complex with maltotetraose | | 分子名称: | Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | 著者 | Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Palcic, M.M. | | 登録日 | 2016-08-18 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
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5LWW
 | | Crystal structure of a laccase-like multicopper oxidase McoG from Aspergillus niger bound to zinc | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | | 登録日 | 2016-09-19 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
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5NXD
 | | LIM Domain Kinase 2 (LIMK2) In Complex With TH-300 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide, LIM domain kinase 2 | | 著者 | Mathea, S, Salah, E, Hanke, T, Newman, J.A, Oerum, S, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Knapp, S. | | 登録日 | 2017-05-10 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | LIM Domain Kinase 2 (LIMK2)In Complex With TH-300
To Be Published
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4M9F
 | | Dengue virus NS2B-NS3 protease A125C variant at pH 8.5 | | 分子名称: | NS2B-NS3 protease | | 著者 | Yildiz, M, Ghosh, S, Bell, J.A, Sherman, W, Hardy, J.A. | | 登録日 | 2013-08-14 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
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5OAU
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4HDV
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4PLX
 | | Crystal structure of the triple-helical stability element at the 3' end of MALAT1 | | 分子名称: | Core ENE hairpin and A-rich tract from MALAT1 | | 著者 | Brown, J.A, Bulkley, D, Wang, J, Valenstein, M.L, Yario, T.A, Steitz, T.A, Steitz, J.A. | | 登録日 | 2014-05-19 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural insights into the stabilization of MALAT1 noncoding RNA by a bipartite triple helix.
Nat.Struct.Mol.Biol., 21, 2014
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7RUJ
 | | E. coli cysteine desulfurase SufS N99A | | 分子名称: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Dunkle, J.A, Gogar, R, Frantom, P.A. | | 登録日 | 2021-08-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning.
J.Biol.Chem., 299, 2023
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7RW3
 | | E. coli cysteine desulfurase SufS N99D | | 分子名称: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Dunkle, J.A, Gogar, R, Frantom, P.A. | | 登録日 | 2021-08-19 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning.
J.Biol.Chem., 299, 2023
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7T9H
 | | HIV Integrase in complex with Compound-15 | | 分子名称: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid, Integrase, MAGNESIUM ION | | 著者 | Khan, J.A, Lewis, H, Kish, K. | | 登録日 | 2021-12-19 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
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7TGH
 | | Cryo-EM structure of respiratory super-complex CI+III2 from Tetrahymena thermophila | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | | 著者 | Zhou, L, Maldonado, M, Padavannil, A, Guo, F, Letts, J.A. | | 登録日 | 2022-01-07 | | 公開日 | 2022-04-06 | | 最終更新日 | 2022-07-20 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Science, 376, 2022
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7T9O
 | | HIV Integrase in complex with Compound-25 | | 分子名称: | (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid, GLYCEROL, Integrase, ... | | 著者 | Khan, J.A, Lewis, H, Kish, K. | | 登録日 | 2021-12-19 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
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