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8A1Y
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BU of 8a1y by Molmil
Sodium pumping NADH-quinone oxidoreductase with inhibitor HQNO
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
7ZY3
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BU of 7zy3 by Molmil
Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation
Descriptor: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
Authors:Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F.
Deposit date:2022-05-23
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 7klk by Molmil
Human Arginase1 Complexed with Inhibitor Compound 3a
Descriptor: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ...
Authors:Palte, R.L.
Deposit date:2020-10-30
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.801 Å)
Cite: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
Descriptor: Chromatin structure-remodeling complex protein RSC14, Chromatin structure-remodeling complex protein RSC3, Chromatin structure-remodeling complex protein RSC30, ...
Authors:Patel, A.B, Moore, C.M, Greber, B.J, Nogales, E.
Deposit date:2019-12-11
Release date:2020-01-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-18
Release date:2022-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
Descriptor: 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
Authors:Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
Deposit date:2017-03-15
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2011-04-14
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-19
Release date:2022-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-18
Release date:2022-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme
Authors:Carlsson, A.-C.C.
Deposit date:2017-03-20
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: CHLORIDE ION, GDP-D-glycero-4-keto-d-lyxo-heptose-3-epimerase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Thoden, J.B, Ghosh, M.K, Xiang, D.F, Raushel, F.M, Holden, H.M.
Deposit date:2022-06-13
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:C3- and C3/C5-Epimerases Required for the Biosynthesis of the Capsular Polysaccharides from Campylobacter jejuni .
Biochemistry, 61, 2022
8A91
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BU of 8a91 by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
Descriptor: 1H-indol-3-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Levy, C.
Deposit date:2022-06-27
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ...
Authors:Hadfield, A.T, Rossmann, M.G.
Deposit date:1997-11-06
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-19
Release date:2022-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: Histone-binding protein RBBP4, Zinc finger protein 827
Authors:Sun, A, Shi, Y.
Deposit date:2017-07-04
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite: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
Descriptor: FATTY ACID BINDING PROTEIN, PALMITIC ACID
Authors:Van Tilbeurgh, H, Hohoff, C, Borchers, T, Spener, F.
Deposit date:1999-01-12
Release date:1999-10-05
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Ciurli, S, Cianci, M.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ...
Authors:Zhou, Y.F, Lord, D.M.
Deposit date:2019-12-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: CbsA
Authors:Kumar, S, Haque, A.S, Nathawat, R, Sankaranaryanan, R.
Deposit date:2017-07-07
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.864 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
Authors:Nemes-Nikodem, E, Szabo, E, Vass, K.R, Lennartz, F, Nagy, B, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2022-05-25
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.892 Å)
Cite: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-
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H.
Deposit date:2017-07-04
Release date:2017-12-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Endolysin, TOLUENE
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.11 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021

223790

数据于2024-08-14公开中

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