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8PGP
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BU of 8pgp by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3193
分子名称: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 3193
To Be Published
8PJV
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BU of 8pjv by Molmil
Crystal structure of the computationally designed SAKe6DR protein
分子名称: SAKe6DR
著者Wouters, S.M.L.
登録日2023-06-23
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Computational design of the SAKe scaffold proteins
To Be Published
5EK9
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BU of 5ek9 by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor
分子名称: Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
著者Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-11-03
公開日2016-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
5WKQ
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BU of 5wkq by Molmil
2.10 A resolution structure of IpaB (residues 74-242) from Shigella flexneri
分子名称: Invasin IpaB
著者Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.L, Picking, W.D.
登録日2017-07-25
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Using disruptive insertional mutagenesis to identify the in situ structure-function landscape of the Shigella translocator protein IpaB.
Protein Sci., 27, 2018
5FOH
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BU of 5foh by Molmil
Crystal structure of the catalytic domain of NcLPMO9A
分子名称: COPPER (II) ION, LITHIUM ION, POLYSACCHARIDE MONOOXYGENASE, ...
著者Westereng, B, Kracun, S.K, Dimarogona, M, Mathiesen, G, Willats, W.G.T, Sandgren, M, Aachmann, F.L, Eijsink, V.G.H.
登録日2015-11-18
公開日2016-12-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparison of three seemingly similar lytic polysaccharide monooxygenases fromNeurospora crassasuggests different roles in plant biomass degradation.
J.Biol.Chem., 2019
5WKT
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BU of 5wkt by Molmil
3.2-Angstrom In situ Mylar structure of bovine opsin at 100 K
分子名称: Rhodopsin, SULFATE ION, Transducin Galpha peptide, ...
著者Broecker, J, Morizumi, T, Ou, W.-L, Ernst, O.P.
登録日2017-07-25
公開日2017-12-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
7DZ1
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BU of 7dz1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
8PM5
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BU of 8pm5 by Molmil
transcription factor BARHL2 bound to TAAAT DNA sequence
分子名称: BarH-like 2 homeobox protein, DNA (5'-D(*AP*AP*CP*CP*AP*TP*TP*TP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*AP*AP*AP*TP*GP*GP*TP*T)-3')
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2023-06-28
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献transcription factor BARHL2 bound to DNA sequences
To Be Published
5LK3
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BU of 5lk3 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 500 mM KCL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
著者Guardado-Calvo, P, Rey, F.A.
登録日2016-07-20
公開日2016-09-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
6VZB
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BU of 6vzb by Molmil
Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state
分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-02-28
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
7E04
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BU of 7e04 by Molmil
Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus sp.
分子名称: GLYCEROL, Lipase
著者Wang, Y.H, Wang, J, Lan, D.M.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus
To Be Published
5LKV
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BU of 5lkv by Molmil
Dehaloperoxidase B from Amphitrite ornata: imidazole complex
分子名称: Dehaloperoxidase B, GLYCEROL, IMIDAZOLE, ...
著者Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
登録日2016-07-25
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Dehaloperoxidase B from Amphitrite ornata: imidazole complex
to be published
6VHZ
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BU of 6vhz by Molmil
Klebsiella oxytoca NpsA N-terminal subdomain in complex with anthranilyl-AMSN
分子名称: 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, CHLORIDE ION, ...
著者Kreitler, D.F, Gulick, A.M.
登録日2020-01-10
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
8PGC
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BU of 8pgc by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2868
分子名称: 7-[(1~{S})-1-[5-[2-(1-azanylcyclopropyl)ethyl]-2-oxidanylidene-1,3-oxazol-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2868
To Be Published
5WJP
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BU of 5wjp by Molmil
Crystal structure of the cyclohexadienyl dehydratase-like solute-binding protein SAR11_1068 from Candidatus Pelagibacter ubique.
分子名称: Cyclohexadienyl dehydratase
著者Clifton, B.E, Jackson, C.J.
登録日2017-07-24
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5FJD
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BU of 5fjd by Molmil
APO-CSP1 (COPPER STORAGE PROTEIN 1) FROM METHYLOSINUS TRICHOSPORIUM OB3B
分子名称: COPPER STORAGE PROTEIN 1
著者Vita, N, Platsaki, S, Basle, A, Allen, S.J, Paterson, N.G, Crombie, A.T, Murrell, J.C, Waldron, K.J, Dennison, C.
登録日2015-10-07
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Four-Helix Bundle Stores Copper for Methane Oxidation.
Nature, 525, 2015
8PNE
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BU of 8pne by Molmil
E.coli YihX Wild Type Apo
分子名称: Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, CHLORIDE ION, ...
著者Zappala, D, Baumann, P, Jin, Y.
登録日2023-06-30
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Apo structure of E.coli YihX Wild Type
To Be Published
7EBW
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BU of 7ebw by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-bound form
分子名称: 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7DYZ
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BU of 7dyz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-4-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
5WL1
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BU of 5wl1 by Molmil
Crystal Structure of Human CD1b in Complex with PG
分子名称: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5LQM
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BU of 5lqm by Molmil
Structure of quinolinate synthase Y21F mutant in complex with citrate
分子名称: CITRATE ANION, IRON/SULFUR CLUSTER, Quinolinate synthase A
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2016-08-17
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
8PGS
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BU of 8pgs by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3380
分子名称: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 3380
To Be Published
8PH2
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BU of 8ph2 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3746
分子名称: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[1-(2-azanylethyl)pyrazol-4-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
登録日2023-06-18
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 3746
To Be Published
6VJ0
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Crystal structure of a chitin-binding protein from Moringa oleifera seeds (Mo-CBP4)
分子名称: ACETATE ION, CHLORIDE ION, Chitin-binding protein Mo-CBP4
著者Bezerra, E.H.S, Lopes, T.D.P, da Silva, F.M.S, Costa, H.P.S, Freire, V.N, Rocha, B.A.M, Sousa, D.O.B.
登録日2020-01-14
公開日2021-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization of a lectin from Moringa oleifera seeds with imflammatory activities
To Be Published
8PJD
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Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445
分子名称: ACETATE ION, Protein arginine N-methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
登録日2023-06-23
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445
To Be Published

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件を2024-11-06に公開中

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