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PDB: 17892 results

8DIE
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BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
2L4D
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BU of 2l4d by Molmil
cytochrome c domain of pp3183 protein from Pseudomonas putida
Descriptor: HEME C, SCO1/SenC family protein/cytochrome c
Authors:Banci, L, Bertini, I, Ciofi-Baffoni, S, Kozyreva, T, Mori, M, Wang, S.
Deposit date:2010-10-04
Release date:2011-01-26
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Sco proteins are involved in electron transfer processes
J.Biol.Inorg.Chem., 16, 2011
8I80
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BU of 8i80 by Molmil
Crystal structure of Cph001-D189N
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J.
Deposit date:2023-02-02
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8T3S
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BU of 8t3s by Molmil
Cryo-EM structure of the Butyrate bound FFA2-Gq complex
Descriptor: CHOLESTEROL, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhang, X, Tikhonova, I, Milligan, G, Zhang, C.
Deposit date:2023-06-07
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Sci Adv, 10, 2024
8DE1
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BU of 8de1 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE2
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BU of 8de2 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8I84
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BU of 8i84 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIB
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, KBE-DPP-UAL-MYN-DPP-ALA, ...
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8DE0
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BU of 8de0 by Molmil
TEM-1 beta-lactamase covalently bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8I85
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BU of 8i85 by Molmil
Crystal structure of Cph001-D189N in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I82
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BU of 8i82 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIA
Descriptor: ACETATE ION, KBE-DPP-UAL-MYN-DPP-SER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
6ON3
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BU of 6on3 by Molmil
A substrate bound structure of L-DOPA dioxygenase from Streptomyces sclerotialus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-DIHYDROXYPHENYLALANINE, FE (II) ION, ...
Authors:Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A.
Deposit date:2019-04-19
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus.
Biochemistry, 58, 2019
6OBZ
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BU of 6obz by Molmil
Crystal structure of FluA-20 Fab
Descriptor: Heavy chain of FluA-20 Fab, Light chain of FluA-20 Fab, Immunoglobulin light chain
Authors:Wilson, I.A, Lang, S.
Deposit date:2019-03-21
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface.
Cell, 177, 2019
5MFA
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BU of 5mfa by Molmil
Crystal structure of human promyeloperoxidase (proMPO)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grishkovskaya, I, Furtmueller, P.G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of human promyeloperoxidase (proMPO) and the role of the propeptide in processing and maturation.
J. Biol. Chem., 292, 2017
7A2D
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BU of 7a2d by Molmil
Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site
Descriptor: Uncharacterized protein YraP
Authors:Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R.
Deposit date:2020-08-17
Release date:2020-12-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
6TVV
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BU of 6tvv by Molmil
Crystal structure of 3'-5' RecJ exonuclease from M. Jannaschii
Descriptor: GLYCEROL, MANGANESE (II) ION, MjaRecJ
Authors:De March, M, Medagli, B, Krastanova, I, Saha, I, Pisani, F, Onesti, S.
Deposit date:2020-01-10
Release date:2021-01-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of 3'-5' RecJ exonuclease from M. Jannaschii
To Be Published
6XYN
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BU of 6xyn by Molmil
Crystal structure of a proteolytic fragment of NarQ comprising sensor and TM domains
Descriptor: NITRATE ION, Nitrate/nitrite sensor histidine kinase NarQ
Authors:Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Gordeliy, V.
Deposit date:2020-01-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a proteolytic fragment of the sensor histidine kinase NarQ
Crystals, 2020
6OTR
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BU of 6otr by Molmil
Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (AAU)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Pavelich, I.P, Hoffer, E.D, Maehigashi, T, Dunham, C.M.
Deposit date:2019-05-03
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
8CTW
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BU of 8ctw by Molmil
Crystal structure of a K+ selective NaK mutant (NaK2K) -Na+,Tl+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, SODIUM ION, ...
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8CTX
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BU of 8ctx by Molmil
Crystal structure of a K+ selective NaK mutant (NaK2K) -K+,Tl+ complex
Descriptor: POTASSIUM ION, Potassium channel protein, THALLIUM (I) ION
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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
6XYT
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BU of 6xyt by Molmil
Crystal structure of the O-state of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-01-31
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
4R2Y
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BU of 4r2y by Molmil
Crystal structure of APC11 RING domain
Descriptor: Anaphase-promoting complex subunit 11, ZINC ION
Authors:Brown, N.G, Watson, E.R, Weissmann, F, Jarvis, M.A, Vanderlinden, R, Grace, C.R.R, Frye, J.J, Dube, P, Qiao, R, Petzold, G, Cho, S.E, Alsharif, O, Bao, J, Zheng, J, Nourse, A, Kurinov, I, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2014-08-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly.
Mol.Cell, 56, 2014
8CTV
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BU of 8ctv by Molmil
Crystal structure of a K+ selective NaK mutant (NaK2K) -Tl+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, SODIUM ION, ...
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
4RA0
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BU of 4ra0 by Molmil
An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Kariolis, M.S, Kapur, S, Mathews, I.I, Cochran, J.R.
Deposit date:2014-09-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis.
Nat.Chem.Biol., 10, 2014
6OCB
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BU of 6ocb by Molmil
Crystal structure of FluA-20 Fab in complex with the head domain of H3 (A/Hong Kong/1/1968)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of FluA-20 Fab, Hemagglutinin, ...
Authors:Wilson, I.A, Lang, S.
Deposit date:2019-03-22
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface.
Cell, 177, 2019

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數據於2024-09-11公開中

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