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9MG3
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BU of 9mg3 by Molmil
Structure of Kluyveromyces lactis mRNA cap (guanine-N7) methyltransferase, Abd1, in complex with sinefungin and GTP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, SINEFUNGIN, ...
著者Nilson, D.J, Fedorov, E, Ghosh, A.
登録日2024-12-10
公開日2025-07-09
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural basis for sensitivity and acquired resistance of fungal cap guanine-N7 methyltransferases to the antifungal antibiotic sinefungin.
Nucleic Acids Res., 53, 2025
9DMU
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BU of 9dmu by Molmil
Cryo-EM structure of IMPDH2 bound to IMP and GAD
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, POTASSIUM ION, ...
著者Chen, Y.J, Li, B, Parada, L.F.
登録日2024-09-14
公開日2024-11-27
最終更新日2024-12-25
実験手法ELECTRON MICROSCOPY (1.82 Å)
主引用文献Gliocidin is a nicotinamide-mimetic prodrug that targets glioblastoma.
Nature, 636, 2024
9J2K
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BU of 9j2k by Molmil
Crystal structure of Omega Transaminase TA_2799 from Pseudomonas putida KT2440
分子名称: 1,2-ETHANEDIOL, Aminotransferase, class III, ...
著者Das, P, Bhaumik, P.
登録日2024-08-07
公開日2025-06-04
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural insights and rational design of Pseudomonasputida KT2440 omega transaminases for enhanced biotransformation of (R)-PAC to (1R, 2S)-Norephedrine.
J.Biol.Chem., 301, 2025
4Y8N
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BU of 4y8n by Molmil
Yeast 20S proteasome beta7-delta7_Cter mutant in complex with Ac-PAE-ep
分子名称: Ac-PAE-ep, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-16
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
8AUN
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BU of 8aun by Molmil
OPR3 Y370F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
1MNC
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BU of 1mnc by Molmil
STRUCTURE OF HUMAN NEUTROPHIL COLLAGENASE REVEALS LARGE S1' SPECIFICITY POCKET
分子名称: CALCIUM ION, METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID, NEUTROPHIL COLLAGENASE, ...
著者Stams, T, Spurlino, J.C, Smith, D.L, Rubin, B.
登録日1994-01-12
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of human neutrophil collagenase reveals large S1' specificity pocket.
Nat.Struct.Biol., 1, 1994
8KB3
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BU of 8kb3 by Molmil
Superoxide dismutase
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Zhai, L, Li, B.Q, Jia, H.H.
登録日2023-08-03
公開日2024-08-07
最終更新日2025-09-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献YdiU regulates Salmonella Oxidative Stress by UMPylation of SodA
To be published
4Y8T
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BU of 4y8t by Molmil
Yeast 20S proteasome beta2-H116D mutant in complex with Ac-PAE-ep
分子名称: Ac-PAE-ep, MAGNESIUM ION, Proteasome subunit alpha type-1, ...
著者Huber, E.M, Groll, M.
登録日2015-02-16
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
5ZF1
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BU of 5zf1 by Molmil
Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the silkworm, Bombyx mori
分子名称: 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate dehydrogenase, SULFATE ION
著者Haque, R, Higashiura, A, Nakagawa, A, Yamamoto, K.
登録日2018-03-02
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular structure of a 5,10-methylenetetrahydrofolate dehydrogenase from the silkwormBombyx mori.
FEBS Open Bio, 9, 2019
5LBT
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BU of 5lbt by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with imiquimod
分子名称: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Gross, O.
登録日2016-06-17
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
6IGW
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BU of 6igw by Molmil
MPZL1 mutant - S86G, V145G, Q146K,P147T,G148S
分子名称: Myelin protein zero-like protein 1
著者Yu, T.
登録日2018-09-26
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1
Biochem. Biophys. Res. Commun., 506, 2018
4YA3
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BU of 4ya3 by Molmil
Yeast 20S proteasome beta2-H116N mutant in complex with Ac-PAE-ep
分子名称: Ac-PAE-ep, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-17
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
8QM6
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BU of 8qm6 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: (1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol, (1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol, DI(HYDROXYETHYL)ETHER, ...
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
5YFN
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BU of 5yfn by Molmil
Human isocitrate dehydrogenase 1 bound with isocitrate
分子名称: ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ...
著者Nordlund, P, Chen, D, Jansson, A, Larsson, A.
登録日2017-09-21
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human isocitrate dehydrogenase 1 bound with isocitrate
To Be Published
4GHJ
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BU of 4ghj by Molmil
1.75 Angstrom Crystal Structure of Transcriptional Regulator ftom Vibrio vulnificus.
分子名称: Probable transcriptional regulator
著者Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-07
公開日2012-08-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献1.75 Angstrom Crystal Structure of Transcriptional Regulator ftom Vibrio vulnificus.
TO BE PUBLISHED
3MCE
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BU of 3mce by Molmil
Crystal structure of the NAC domain of alpha subunit of nascent polypeptide-associated complex(NAC)
分子名称: IODIDE ION, Nascent polypeptide-associated complex subunit alpha
著者Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z.
登録日2010-03-29
公開日2010-07-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit
Protein Cell, 1, 2010
6FY1
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BU of 6fy1 by Molmil
Crystal structure of a V2p-reactive RV144 vaccine-like antibody, CAP228-16H, in complex with a scaffolded autologous V1V2
分子名称: CAP228 Autologous Scaffolded V1V2, CAP228-16H Heavy Chain, CAP228-16H Light Chain
著者Wibmer, C.K, Moore, P.L, Morris, L.
登録日2018-03-10
公開日2018-10-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.132 Å)
主引用文献Common helical V1V2 conformations of HIV-1 Envelope expose the alpha 4 beta 7 binding site on intact virions.
Nat Commun, 9, 2018
8VXF
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BU of 8vxf by Molmil
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15
分子名称: (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta
著者Thompson, A.A, Milligan, C.M, Sharma, S.
登録日2024-02-04
公開日2024-05-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.28 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
6CA4
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BU of 6ca4 by Molmil
Crystal structure of humanized D. rerio TDP2 by 14 mutations
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ...
著者Shi, K, Aihrara, H.
登録日2018-01-29
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.623 Å)
主引用文献New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2).
Eur J Pharm Sci, 118, 2018
6IN3
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BU of 6in3 by Molmil
Crystal structure of DOT1L in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
8XKV
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BU of 8xkv by Molmil
Cryo-EM structure of the Ycf2-FtsHi motor complex from Arabidopsis in Apo state
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, ATP-dependent zinc metalloprotease FTSH 12, chloroplastic, ...
著者Liang, K, Zhan, X, Xu, Q, Wu, J, Yan, Z.
登録日2023-12-25
公開日2024-09-11
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the chloroplast protein import in land plants.
Cell, 187, 2024
8C5P
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BU of 8c5p by Molmil
E. coli NfsB mutant N71S T41L with acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Day, M.A, White, S.A, Hyde, E.I.
登録日2023-01-10
公開日2023-04-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
8C5F
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BU of 8c5f by Molmil
E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ...
著者White, S.A, Hyde, E.I, Day, M.A.
登録日2023-01-07
公開日2023-04-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
4CUZ
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BU of 4cuz by Molmil
Crystal structure of S. aureus FabI in complex with NADPH and PT173
分子名称: 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, ENOYL-ACP REDUCTASE MOLECULE ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C.
登録日2014-03-22
公開日2014-04-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
5Z20
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BU of 5z20 by Molmil
The ternary structure of D-lactate dehydrogenase from Pseudomonas aeruginosa with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase (Fermentative), DI(HYDROXYETHYL)ETHER, ...
著者Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H.
登録日2017-12-28
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria.
Biochemistry, 57, 2018

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