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5IJL
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BU of 5ijl by Molmil
D-family DNA polymerase - DP2 subunit (catalytic subunit)
分子名称: DNA polymerase II large subunit, ZINC ION
著者Sauguet, L, Raia, P, De Larue, M.
登録日2016-03-02
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
6UCT
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BU of 6uct by Molmil
Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant)
分子名称: p9-1
著者Llauger, G, Klinke, S, Monti, D, Sycz, G, Cerutti, M.L, Goldbaum, F.A, del Vas, M, Otero, L.H.
登録日2019-09-17
公開日2021-03-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant)
To Be Published
5IK2
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BU of 5ik2 by Molmil
Caldalaklibacillus thermarum F1-ATPase (epsilon mutant)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
著者Ferguson, S.A, Cook, G.M, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2016-03-03
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum.
Proc.Natl.Acad.Sci.USA, 113, 2016
8PA3
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BU of 8pa3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2500
分子名称: 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2500
To Be Published
6Q8M
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BU of 6q8m by Molmil
GH10 endo-xylanase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
著者Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E.
登録日2018-12-15
公開日2019-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
5TR0
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BU of 5tr0 by Molmil
Lipoxygenase-1 (soybean) L754A mutant at 293K
分子名称: FE (II) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S.
登録日2016-10-24
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
6Q92
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BU of 6q92 by Molmil
Crystal structure of human Arginase-1 at pH 7.0 in complex with ABH
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ...
著者Grobben, Y, Uitdehaag, J.C.M, Zaman, G.J.R.
登録日2018-12-17
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
6LZ2
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BU of 6lz2 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
登録日2020-02-17
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification.
Commun Biol, 3, 2020
8PAH
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BU of 8pah by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2596
分子名称: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2596
To Be Published
5TSA
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BU of 5tsa by Molmil
Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Zn2+
分子名称: CADMIUM ION, Membrane protein, ZINC ION
著者Zhang, T, Fellner, M, Sui, D, Liu, J, Hu, J.
登録日2016-10-28
公開日2017-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of a ZIP zinc transporter reveal a binuclear metal center in the transport pathway.
Sci Adv, 3, 2017
5LZH
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BU of 5lzh by Molmil
Cholera toxin classical B-pentamer in complex with inhibitor PC262
分子名称: (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Heggelund, J.E, Martinsen, T, Krengel, U.
登録日2016-09-29
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
7EA0
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BU of 7ea0 by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1
分子名称: 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Adachi, T.
登録日2021-03-05
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
分子名称: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
5ILY
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BU of 5ily by Molmil
Tobacco 5-epi-aristolochene synthase with BIS-TRIS buffer molecule and diphosphate (PPi)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-epi-aristolochene synthase, DIPHOSPHATE, ...
著者Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P.
登録日2016-03-05
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
8PBW
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BU of 8pbw by Molmil
Histidine-containing phosphotransfer protein from Chaetomium thermophilum
分子名称: 1,2-ETHANEDIOL, HPt domain-containing protein
著者Paredes-Martinez, F, Casino, P.
登録日2023-06-09
公開日2024-07-03
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional insights underlying recognition of histidine phosphotransfer protein in fungal phosphorelay systems.
Commun Biol, 7, 2024
5TTD
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BU of 5ttd by Molmil
Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond
分子名称: FORMIC ACID, Maltose-binding periplasmic protein,Pilin isopeptide linkage domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Young, P.G, Kwon, H, Squire, C.J, Baker, E.N.
登録日2016-11-02
公開日2017-03-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Lys-Asn isopeptide bond into an immunoglobulin-like protein domain enhances its stability.
Sci Rep, 7, 2017
7EAS
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BU of 7eas by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2
分子名称: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Adachi, T.
登録日2021-03-08
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
5DK1
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BU of 5dk1 by Molmil
S. erythraea trypsin mixed catalytic intermediate
分子名称: Trypsin
著者Blankenship, E, Lodowski, D.T.
登録日2015-09-02
公開日2017-03-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (0.938 Å)
主引用文献High resolution structures of S. erythraeus trypsin throughout the catalytic cycle
To be Published
6UMA
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BU of 6uma by Molmil
Crystal structure of the TRIM7 B30.2 domain at 1.6 angstrom resolution
分子名称: E3 ubiquitin-protein ligase TRIM7, GLYCEROL, MALONATE ION
著者Munoz Sosa, C.J, Carrizo, M.E.
登録日2019-10-09
公開日2021-04-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and mutational analysis of the human TRIM7 B30.2 domain provide insights into the molecular basis of its binding to glycogenin-1.
J.Biol.Chem., 296, 2021
5TPR
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BU of 5tpr by Molmil
Desmethyl-4-deoxygadusol synthase from Anabaena variabilis (Ava_3858) with NAD+ and Zn2+ bound
分子名称: 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kean, K.M, Karplus, P.A.
登録日2016-10-21
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution and Distribution of C7-Cyclitol Synthases in Prokaryotes and Eukaryotes.
ACS Chem. Biol., 12, 2017
6XP3
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BU of 6xp3 by Molmil
Structure of human PYCR1 complexed with cyclopentanecarboxylic acid
分子名称: Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION, ...
著者Tanner, J.J, Bogner, A.N.
登録日2020-07-07
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献In crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
J.Biol.Chem., 295, 2020
7EBH
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BU of 7ebh by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13
分子名称: 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Adachi, T.
登録日2021-03-09
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
8P96
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BU of 8p96 by Molmil
TARGET COMPLEX 3
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ...
著者Garau, G.
登録日2023-06-05
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献TARGET COMPLEX 2
To Be Published
5M1Z
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BU of 5m1z by Molmil
STRUCTURE OF THE ALPHA-L-ARABINOFURANOSIDASE ARB93A FROM FUSARIUM GRAMINEARUM IN COMPLEX WITH AN hydroximolactone INHIBITOR
分子名称: 1,2-ETHANEDIOL, Exo-1,5-alpha-L-arabinofuranobiosidase, GLYCEROL, ...
著者Varrot, A.
登録日2016-10-11
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploiting sp(2) -Hybridisation in the Development of Potent 1,5-alpha-l-Arabinanase Inhibitors.
Chembiochem, 18, 2017
8PA8
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BU of 8pa8 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2551
分子名称: 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-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2023-06-07
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM1 with 2551
To Be Published

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件を2024-11-06に公開中

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