8GKO
 
 | | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | | 分子名称: | 1,2-ETHANEDIOL, Alkaline protease 1, FORMYL GROUP, ... | | 著者 | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | | 登録日 | 2023-03-20 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
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8GKQ
 | | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | | 分子名称: | 1,2-ETHANEDIOL, Alkaline protease 1, CALCIUM ION, ... | | 著者 | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | | 登録日 | 2023-03-20 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
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5B7Z
 | | Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Ni2+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, NICKEL (II) ION, ... | | 著者 | Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H. | | 登録日 | 2016-06-10 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
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8GKP
 | | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | | 分子名称: | Alkaline protease 1, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | 著者 | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | | 登録日 | 2023-03-20 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
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6C67
 | | Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ... | | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2018-01-17 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
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6ZBW
 | | Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor | | 分子名称: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, Alpha-1,6-mannanase, ... | | 著者 | Davies, G.J, Offen, W.A. | | 登録日 | 2020-06-09 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases.
Chemistry, 27, 2021
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1JVJ
 | | CRYSTAL STRUCTURE OF N132A MUTANT OF TEM-1 BETA-LACTAMASE IN COMPLEX WITH A N-FORMIMIDOYL-THIENAMYCINE | | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, BETA-LACTAMASE TEM, POTASSIUM ION | | 著者 | Wang, X, Minasov, G, Shoichet, B.K. | | 登録日 | 2001-08-30 | | 公開日 | 2002-03-06 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Noncovalent interaction energies in covalent complexes: TEM-1 beta-lactamase and beta-lactams.
Proteins, 47, 2002
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1JWZ
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6YYK
 | | Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | 分子名称: | 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | 著者 | Brear, P, Wagstaff, J, Hyvonen, M. | | 登録日 | 2020-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Optimising crystallographic systems for structure-guided drug discovery
To Be Published
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1JWV
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2AN3
 | | Structure of PNMT with S-adenosyl-L-homocysteine and the semi-rigid analogue acceptor substrate cis-(1R,2S)-2-amino-1-tetralol. | | 分子名称: | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. | | 登録日 | 2005-08-11 | | 公開日 | 2006-03-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
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8G2H
 | | Crystal Structure of PRMT4 with Compound YD1113 | | 分子名称: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | 著者 | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2023-02-03 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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2AOV
 | | Histamine Methyltransferase Complexed with the Antifolate Drug Metoprine | | 分子名称: | 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE, 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE, Histamine N-methyltransferase | | 著者 | Horton, J.R, Sawada, K, Nishibori, M, Cheng, X. | | 登録日 | 2005-08-14 | | 公開日 | 2005-09-13 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
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8GSJ
 | | APC-Asef tripeptide inhibitor | | 分子名称: | (1R,2S)-2-phenylcyclopropanamine, 2-methylsulfanylpyrimidine-4-carbaldehyde, Adenomatous polyposis coli protein, ... | | 著者 | Zhang, J, Wang, X.F, Song, K. | | 登録日 | 2022-09-06 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | APC-Asef tripeptide inhibitor
To Be Published
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6YZH
 | | Crystal structure of P8C9 bound to CK2alpha | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2020-05-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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7ZKV
 | | F231A variant of the CODH/ACS complex of C. hydrogenoformans | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | | 著者 | Ruickoldt, J, Jeoung, J.-H, Basak, Y, Domnik, L, Dobbek, H. | | 登録日 | 2022-04-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.066 Å) | | 主引用文献 | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 2024
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5AVM
 | | Crystal structures of 5-aminoimidazole ribonucleotide (AIR) synthetase, PurM, from Thermus thermophilus | | 分子名称: | Phosphoribosylformylglycinamidine cyclo-ligase, SULFATE ION | | 著者 | Kanagawa, M, Baba, S, Watanabe, Y, Nakagawa, N, Ebihara, A, Sampei, G, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2015-06-23 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures and ligand binding of PurM proteins from Thermus thermophilus and Geobacillus kaustophilus
J.Biochem., 159, 2016
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6Z2F
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6Z2A
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6Z2C
 | | Engineered lipocalin C3A5 in complex with a transition state analog | | 分子名称: | 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, Neutrophil gelatinase-associated lipocalin | | 著者 | Skerra, A, Eichinger, A. | | 登録日 | 2020-05-15 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of an engineered lipocalin that catalyzes a Diels-Alder reaction
To be published
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6Z19
 | | Crystal structure of P8C9 bound to CK2alpha | | 分子名称: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2020-05-13 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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1JGJ
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8BM4
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6Z2Z
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6Z2U
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