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1GEG
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BU of 1geg by Molmil
CRYATAL STRUCTURE ANALYSIS OF MESO-2,3-BUTANEDIOL DEHYDROGENASE
Descriptor: ACETOIN REDUCTASE, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
Authors:Otagiri, M, Kurisu, G, Ui, S, Kusunoki, M.
Deposit date:2000-11-10
Release date:2001-02-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of meso-2,3-butanediol dehydrogenase in a complex with NAD+ and inhibitor mercaptoethanol at 1.7 A resolution for understanding of chiral substrate recognition mechanisms.
J.Biochem., 129, 2001
5Y9T
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BU of 5y9t by Molmil
Crystal Structure of EGFR T790M mutant in complex with naquotinib
Descriptor: 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor
Authors:Mimasu, S, Tomimoto, Y, Maiko, I, Yasushi, A, Tatsuya, N.
Deposit date:2017-08-28
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Pharmacological and Structural Characterizations of Naquotinib, a Novel Third-Generation EGFR Tyrosine Kinase Inhibitor, inEGFR-Mutated Non-Small Cell Lung Cancer.
Mol. Cancer Ther., 17, 2018
5YE7
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BU of 5ye7 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
Descriptor: N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2017-09-15
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YGG
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BU of 5ygg by Molmil
Crystal structure of Fructokinase Double-Mutant (T261C-H108C) from Vibrio cholerae O395 in fructose, ADP and potassium ion bound form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fructokinase, ...
Authors:Chatterjee, S, Paul, R, Nath, S, Sen, U.
Deposit date:2017-09-22
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Large-scale conformational changes and redistribution of surface negative charge upon sugar binding dictate the fidelity of phosphorylation in Vibrio cholerae fructokinase.
Sci Rep, 8, 2018
5YLL
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BU of 5yll by Molmil
Structure of GH113 beta-1,4-mannanase complex with M6.
Descriptor: beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
Deposit date:2017-10-17
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus
J. Biol. Chem., 293, 2018
5YE8
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BU of 5ye8 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
Descriptor: N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide, Platelet-activating factor acetylhydrolase
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2017-09-15
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YQJ
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BU of 5yqj by Molmil
Crystal structure of the first StARkin domain of Lam4
Descriptor: Membrane-anchored lipid-binding protein LAM4
Authors:Im, Y.J, Tong, J.S.
Deposit date:2017-11-06
Release date:2018-01-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of sterol recognition and nonvesicular transport by lipid transfer proteins anchored at membrane contact sites
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5Y3C
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BU of 5y3c by Molmil
Crystal structure of zebrafish Ccd1 DIX domain
Descriptor: Dixin-A
Authors:Terawaki, S, Shibata, N, Higuchi, Y.
Deposit date:2017-07-28
Release date:2017-09-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for Ccd1 auto-inhibition in the Wnt pathway through homomerization of the DIX domain.
Sci Rep, 7, 2017
5Y3B
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BU of 5y3b by Molmil
Crystal structure of mouse Ccd1 DIX domain
Descriptor: Dixin
Authors:Terawaki, S, Shibata, N, Higuchi, Y.
Deposit date:2017-07-28
Release date:2017-09-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for Ccd1 auto-inhibition in the Wnt pathway through homomerization of the DIX domain.
Sci Rep, 7, 2017
5YEA
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BU of 5yea by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
Descriptor: 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2017-09-15
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YLI
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BU of 5yli by Molmil
Complex structure of GH113 beta-1,4-mannanase
Descriptor: beta-1,4-mannanas, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
Deposit date:2017-10-17
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus
J. Biol. Chem., 293, 2018
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2017-10-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5YO8
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BU of 5yo8 by Molmil
Crystal structure of beta-C25/C30/C35-prene synthase
Descriptor: Tetraprenyl-beta-curcumene synthase
Authors:Fujihashi, M, Miki, K.
Deposit date:2017-10-27
Release date:2018-05-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure and functional analysis of large-terpene synthases belonging to a newly found subclass.
Chem Sci, 9, 2018
5YLA
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BU of 5yla by Molmil
Crystal structure of a dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.67 A resolution
Descriptor: Peptidyl-tRNA hydrolase
Authors:Singh, P.K, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2017-10-17
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of a dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.67 A resolution
To Be Published
5YLH
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BU of 5ylh by Molmil
Structure of GH113 beta-1,4-mannanase
Descriptor: beta-1,4-mannanase
Authors:Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
Deposit date:2017-10-17
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus
J. Biol. Chem., 293, 2018
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Li, X.
Deposit date:2017-09-23
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
5YKL
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BU of 5ykl by Molmil
Antimicrobial peptide AY1C designed from the skin secretion of Chinese Odorous frogs
Descriptor: designed AY1C
Authors:Pal, I, Atreya, H.S, Bhunia, A.
Deposit date:2017-10-15
Release date:2017-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
5YKQ
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BU of 5ykq by Molmil
Designed peptide CAY1 from Odorrana andersonii skin secretion
Descriptor: designed CAY1
Authors:Pal, I, Atreya, H.S, Bhunia, A.
Deposit date:2017-10-15
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
5YLK
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BU of 5ylk by Molmil
Complex structure of GH 113 family beta-1,4-mannanase with mannobiose
Descriptor: beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
Deposit date:2017-10-17
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromn Amphibacillus xylanus
J. Biol. Chem., 293, 2018
5YKK
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BU of 5ykk by Molmil
Antimicrobial peptide Andersonin-Y1 (AY1)
Descriptor: Andersonin-Y1 (AY1)
Authors:Pal, I, Atreya, H.S, Bhunia, A.
Deposit date:2017-10-15
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
5Y0H
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BU of 5y0h by Molmil
Solution structure of arenicin-3 derivative N6
Descriptor: N6
Authors:Liu, X.H, Wang, J.H.
Deposit date:2017-07-17
Release date:2017-07-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
5Y0U
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BU of 5y0u by Molmil
The solution structure of AEBP2 C2H2 zinc fingers
Descriptor: ZINC ION, Zinc finger protein AEBP2
Authors:Sun, A, Shi, Y, Wu, J.
Deposit date:2017-07-18
Release date:2018-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4.
Protein Cell, 9, 2018
5YVT
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BU of 5yvt by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+) and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Ma, T, Ding, J.
Deposit date:2017-11-27
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the inhibitory mechanisms of NADH on the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 8, 2018
5ZJ9
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BU of 5zj9 by Molmil
human D-amino acid oxidase complexed with 5-chlorothiophene-3-carboxylic acid
Descriptor: 5-chloro thiophene-3-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kato, Y, Hin, N, Maita, N, Thomas, A.G, Kurosawa, S, Rojas, C, Yorita, K, Slusher, B.S, Fukui, K, Tsukamoto, T.
Deposit date:2018-03-19
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids
Eur J Med Chem, 159, 2018
5YVS
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BU of 5yvs by Molmil
Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NADP
Descriptor: MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alcohol dehydrogenase
Authors:Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
Deposit date:2017-11-27
Release date:2017-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018

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数据于2024-10-02公开中

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