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7LG7
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BU of 7lg7 by Molmil
Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345
Descriptor: 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide, Non-structural protein 3, SULFATE ION
Authors:Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2021-01-19
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
4Z9D
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BU of 4z9d by Molmil
EcPltA
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pertussis toxin-like subunit ArtA, SODIUM ION
Authors:Littler, D.R, Johnson, M.D, Summers, R.J, Schembri, M.A, Rossjohn, J, Beddoe, T.
Deposit date:2015-04-10
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function analyses of a pertussis-like toxin from pathogenic Escherichia coli reveal a distinct mechanism of inhibition of trimeric G proteins.
J. Biol. Chem., 2017
7LKA
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BU of 7lka by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
Descriptor: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-02
Release date:2021-02-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LK9
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BU of 7lk9 by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
Descriptor: COV107-23 heavy chain, COVD21-C8 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-01
Release date:2021-02-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
6PD1
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BU of 6pd1 by Molmil
PntC-AEPT: fusion protein of phosphonate-specific cytidylyltransferase and 2-aminoethylphosphonate (AEP) transaminase from Treponema denticola
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Suits, M.D.L, Whiteside, J.
Deposit date:2019-06-18
Release date:2019-08-07
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis.
Nat Commun, 10, 2019
3LP9
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BU of 3lp9 by Molmil
Crystal structure of LS24, A Seed Albumin from Lathyrus sativus
Descriptor: CALCIUM ION, CHLORIDE ION, LS-24, ...
Authors:Gaur, V, Qureshi, I.A, Singh, A, Chanana, V, Salunke, D.M.
Deposit date:2010-02-05
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and functional insights of hemopexin fold protein from grass pea
Plant Physiol., 152, 2010
5NG2
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BU of 5ng2 by Molmil
Structure of RIP2K(D146N) with bound Staurosporine
Descriptor: PHOSPHATE ION, Receptor-interacting serine/threonine-protein kinase 2, STAUROSPORINE
Authors:Pellegrini, E, Cusack, S.
Deposit date:2017-03-16
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
6S50
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BU of 6s50 by Molmil
scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
Descriptor: GLYCEROL, SULFATE ION, Streptavidin, ...
Authors:Rebelein, J.G.
Deposit date:2019-06-29
Release date:2019-09-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
4R0W
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BU of 4r0w by Molmil
Vvtgvta, an amyloid forming segment from alpha synuclein, residues 70-76
Descriptor: Alpha-synuclein
Authors:Ivanova, M.I, Eisenberg, D.S, Sawaya, M.R.
Deposit date:2014-08-01
Release date:2014-12-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
7ZU6
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BU of 7zu6 by Molmil
Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to tetra-vanadate ion (structure 1)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYCLO-TETRAMETAVANADATE, Lysozyme, ...
Authors:Tito, G, Merlino, A, Ferraro, G.
Deposit date:2022-05-11
Release date:2023-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.183 Å)
Cite:Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2.
Angew.Chem.Int.Ed.Engl., 62, 2023
3E9U
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BU of 3e9u by Molmil
Crystal structure of Calx CBD2 domain
Descriptor: Na/Ca exchange protein
Authors:Wu, M, Zheng, L.
Deposit date:2008-08-23
Release date:2009-01-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of CBD2 from the Drosophila Na(+)/Ca(2+) exchanger: diversity of Ca(2+) regulation and its alternative splicing modification.
J.Mol.Biol., 387, 2009
5NHK
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BU of 5nhk by Molmil
Structure of Ferric uptake regulator from francisella tularensis with Iron
Descriptor: FE (III) ION, Ferric uptake regulation protein, ZINC ION
Authors:Perard, J, Arnaud, L, Carpentier, P, Michaud-Soret, I, Cavazza, C.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence.
Commun Biol, 1, 2018
5X4F
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BU of 5x4f by Molmil
Solution Structure of the N-terminal Domain of TDP-43
Descriptor: TAR DNA-binding protein 43
Authors:Jiang, L.-L, Xue, W, Hu, H.-Y.
Deposit date:2017-02-13
Release date:2017-08-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The N-terminal dimerization is required for TDP-43 splicing activity.
Sci Rep, 7, 2017
6PDK
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BU of 6pdk by Molmil
The Structure of Smlt3025, an immunity protein of the Stenotrophomonas maltophilia type IV secretion system
Descriptor: BROMIDE ION, CHLORIDE ION, Uncharacterized protein
Authors:Matsuyama, B.Y, Farah, C.S.
Deposit date:2019-06-19
Release date:2019-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The opportunistic pathogen Stenotrophomonas maltophilia utilizes a type IV secretion system for interbacterial killing.
Plos Pathog., 15, 2019
6V12
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BU of 6v12 by Molmil
Empty AAV8 particles
Descriptor: Capsid protein
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2019-11-19
Release date:2019-12-11
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
6IK7
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BU of 6ik7 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,3-galactobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
Deposit date:2018-10-15
Release date:2018-11-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
6PFM
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BU of 6pfm by Molmil
Crystal structure of GDC-0927 bound to estrogen receptor alpha
Descriptor: (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D.
Deposit date:2019-06-21
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
6UPX
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BU of 6upx by Molmil
RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 1
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Oh, J, Wang, D.
Deposit date:2019-10-18
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
7WK8
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BU of 7wk8 by Molmil
SARS-CoV-2 Omicron spike protein SD1 in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Hong, Q, Cong, Y.
Deposit date:2022-01-08
Release date:2022-01-26
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
6ILH
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BU of 6ilh by Molmil
Crystal Structure of human lysyl-tRNA synthetase L350H mutant
Descriptor: 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysine-tRNA ligase
Authors:Hei, Z, Liu, Z, Wang, J, Fang, P.
Deposit date:2018-10-18
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex.
J. Biol. Chem., 294, 2019
5H35
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BU of 5h35 by Molmil
Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Sulfolobus solfataricus
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab Heavy Chain, Fab Light Chain, ...
Authors:Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O.
Deposit date:2016-10-20
Release date:2017-01-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.642 Å)
Cite:Crystal structures of the TRIC trimeric intracellular cation channel orthologues
Cell Res., 26, 2016
5UII
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BU of 5uii by Molmil
structure of DHFR with bound buformin and NADP
Descriptor: CALCIUM ION, Dihydrofolate reductase, N-butyl-N'-(diaminomethylidene)guanidine, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2018-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
7VW5
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BU of 7vw5 by Molmil
Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase nsP4
Authors:Tan, Y.B, Luo, D.
Deposit date:2021-11-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold.
Nucleic Acids Res., 50, 2022
6M09
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BU of 6m09 by Molmil
The ligand-free structure of the chloroplast protein At3g03890
Descriptor: AT3G03890 protein
Authors:Wang, J, Liu, L.
Deposit date:2020-02-20
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:The Arabidopsis locus AT3G03890 encodes a dimeric beta-barrel protein implicated in heme degradation.
Biochem.J., 2020
6PFQ
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BU of 6pfq by Molmil
Structure of Kluyveromyces marxianus Usb1
Descriptor: GLYCEROL, Uncharacterized protein YLR132C
Authors:Nomura, Y, Montemayor, E.J, Butcher, S.E.
Deposit date:2019-06-21
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the evolution of cyclic phosphodiesterase activity in the U6 snRNA exoribonuclease Usb1.
Nucleic Acids Res., 48, 2020

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数据于2025-06-04公开中

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