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8A1Y
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Sodium pumping NADH-quinone oxidoreductase with inhibitor HQNO
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, DODECYL-BETA-D-MALTOSIDE, ...
著者Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
登録日2022-06-02
公開日2023-06-14
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
7ZY3
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Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation
分子名称: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
著者Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F.
登録日2022-05-23
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
7KLK
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Human Arginase1 Complexed with Inhibitor Compound 3a
分子名称: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ...
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
6V8O
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BU of 6v8o by Molmil
RSC core
分子名称: Chromatin structure-remodeling complex protein RSC14, Chromatin structure-remodeling complex protein RSC3, Chromatin structure-remodeling complex protein RSC30, ...
著者Patel, A.B, Moore, C.M, Greber, B.J, Nogales, E.
登録日2019-12-11
公開日2020-01-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Architecture of the chromatin remodeler RSC and insights into its nucleosome engagement.
Elife, 8, 2019
8CVW
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BU of 8cvw by Molmil
20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-18
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
5V5Z
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BU of 5v5z by Molmil
Structure of CYP51 from the pathogen Candida albicans
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
登録日2017-03-15
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
3RIX
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BU of 3rix by Molmil
1.7A resolution structure of a firefly luciferase-Aspulvinone J inhibitor complex
分子名称: (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one, Luciferin 4-monooxygenase
著者Lovell, S, Battaile, K.P, Lopez, P.C, Auld, D.S, Schultz, P.J, MacArthur, R, Shen, M, Tamayo, G, Inglese, J, Sherman, D.H.
登録日2011-04-14
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Titration-based screening for evaluation of natural product extracts: identification of an aspulvinone family of luciferase inhibitors.
Chem.Biol., 18, 2011
8CWF
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BU of 8cwf by Molmil
200us Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-19
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CW5
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BU of 8cw5 by Molmil
200us Temperature-Jump (Light) XFEL structure of Lysozyme
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-18
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
5V7F
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BU of 5v7f by Molmil
T4 lysozyme Y18Ymi
分子名称: 2-HYDROXYETHYL DISULFIDE, Lysozyme
著者Carlsson, A.-C.C.
登録日2017-03-20
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Increasing Enzyme Stability and Activity through Hydrogen Bond-Enhanced Halogen Bonds.
Biochemistry, 57, 2018
8DAK
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BU of 8dak by Molmil
Crystal structure of the GDP-D-glycero-4-keto-d-lyxo-heptose-3-epimerase from Campylobacter jejuni, serotype HS:3
分子名称: CHLORIDE ION, GDP-D-glycero-4-keto-d-lyxo-heptose-3-epimerase, GUANOSINE-5'-DIPHOSPHATE, ...
著者Thoden, J.B, Ghosh, M.K, Xiang, D.F, Raushel, F.M, Holden, H.M.
登録日2022-06-13
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献C3- and C3/C5-Epimerases Required for the Biosynthesis of the Capsular Polysaccharides from Campylobacter jejuni .
Biochemistry, 61, 2022
8A91
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Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
分子名称: 1H-indol-3-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Levy, C.
登録日2022-06-27
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
1AYM
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BU of 1aym by Molmil
HUMAN RHINOVIRUS 16 COAT PROTEIN AT HIGH RESOLUTION
分子名称: HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ...
著者Hadfield, A.T, Rossmann, M.G.
登録日1997-11-06
公開日1998-01-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The refined structure of human rhinovirus 16 at 2.15 A resolution: implications for the viral life cycle.
Structure, 5, 1997
8CWC
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BU of 8cwc by Molmil
20ns Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-19
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
5XXQ
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BU of 5xxq by Molmil
Crystal structure of RBBP4: ZNF827 and its function in telomere
分子名称: Histone-binding protein RBBP4, Zinc finger protein 827
著者Sun, A, Shi, Y.
登録日2017-07-04
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of RBBP4: ZNF827 and its function in telomere
To Be Published
7L3J
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BU of 7l3j by Molmil
T4 Lysozyme L99A - benzylacetate - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
1B56
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BU of 1b56 by Molmil
HUMAN RECOMBINANT EPIDERMAL FATTY ACID BINDING PROTEIN
分子名称: FATTY ACID BINDING PROTEIN, PALMITIC ACID
著者Van Tilbeurgh, H, Hohoff, C, Borchers, T, Spener, F.
登録日1999-01-12
公開日1999-10-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Expression, purification, and crystal structure determination of recombinant human epidermal-type fatty acid binding protein.
Biochemistry, 38, 1999
8A18
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BU of 8a18 by Molmil
1.63 A resolution hydroquinone inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Ciurli, S, Cianci, M.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Inhibition of Urease by Hydroquinones: A Structural and Kinetic Study.
Chemistry, 28, 2022
6VC9
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BU of 6vc9 by Molmil
TB19 complex
分子名称: 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ...
著者Zhou, Y.F, Lord, D.M.
登録日2019-12-20
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
5XYH
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BU of 5xyh by Molmil
Crystal Structure of catalytic domain of 1,4-beta-Cellobiosidase (CbsA) from Xanthomonas oryzae pv. oryzae
分子名称: CbsA
著者Kumar, S, Haque, A.S, Nathawat, R, Sankaranaryanan, R.
登録日2017-07-07
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献A mutation in an exoglucanase of Xanthomonas oryzae pv. oryzae, which confers an endo mode of activity, affects bacterial virulence, but not the induction of immune responses, in rice
Mol. Plant Pathol., 19, 2018
7ZYT
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BU of 7zyt by Molmil
Crystal structure of the I318T pathogenic variant of the human dihydrolipoamide dehydrogenase
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
著者Nemes-Nikodem, E, Szabo, E, Vass, K.R, Lennartz, F, Nagy, B, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2022-05-25
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
6VCK
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BU of 6vck by Molmil
Crystal structure of E.coli RppH-DapF in complex with GDP, Mg2+ and F-
分子名称: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
著者Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
登録日2019-12-21
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
5XXL
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BU of 5xxl by Molmil
Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H.
登録日2017-07-04
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
FEBS Lett., 591, 2017
7L3A
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BU of 7l3a by Molmil
T4 Lysozyme L99A - toluene - cryo
分子名称: Endolysin, TOLUENE
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L38
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BU of 7l38 by Molmil
T4 Lysozyme L99A - Apo - cryo
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021

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