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7Y65
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BU of 7y65 by Molmil
Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y66
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BU of 7y66 by Molmil
Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein
Descriptor: BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y64
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BU of 7y64 by Molmil
Cryo-EM structure of C5a-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSJ
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BU of 7ksj by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7WIN
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BU of 7win by Molmil
Crystal structure of BAZ2B TAM domain
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B
Authors:Feng, Y.Y, Liu, K, Min, J.R.
Deposit date:2022-01-04
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
Descriptor: Endolysin, FE (III) ION, MAGNESIUM ION, ...
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-06-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4OLK
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BU of 4olk by Molmil
The CHAP domain of LysGH15
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
3KPX
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BU of 3kpx by Molmil
Crystal Structure Analysis of photoprotein clytin
Descriptor: Apophotoprotein clytin-3, C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION
Authors:Titushin, M.S, Li, Y, Stepanyuk, G.A, Wang, B.-C, Lee, J, Vysotski, E.S, Liu, Z.-J.
Deposit date:2009-11-17
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:NMR derived topology of a GFP-photoprotein energy transfer complex
J.Biol.Chem., 285, 2010
3UDC
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BU of 3udc by Molmil
Crystal structure of a membrane protein
Descriptor: Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel
Authors:Li, W, Ge, J, Yang, M.
Deposit date:2011-10-28
Release date:2012-10-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.355 Å)
Cite:Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
5E9A
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BU of 5e9a by Molmil
Crystal structure analysis of the cold-adamped beta-galactosidase from Rahnella sp. R3
Descriptor: ACETATE ION, Beta-galactosidase, ZINC ION
Authors:Zhang, Y.Z, Fan, Y.T.
Deposit date:2015-10-14
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Cloning, expression and structural stability of a cold-adapted beta-galactosidase from Rahnella sp. R3.
Protein Expr.Purif., 115, 2015
4OIP
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BU of 4oip by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077, ATP, and CMPcPP
Descriptor: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4OIR
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BU of 4oir by Molmil
Crystal structure of Thermus thermophilus RNA polymerase transcription initiation complex soaked with GE23077 and rifamycin SV
Descriptor: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4OIQ
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BU of 4oiq by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 and rifampicin
Descriptor: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.624 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
8H97
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BU of 8h97 by Molmil
GH86 agarase Aga86A_Wa
Descriptor: Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL
Authors:Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
8HML
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BU of 8hml by Molmil
Co-crystal structure of the C terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its conserved promoter DNA in 2.95 Angstrom resolution
Descriptor: DNA (5'-D(*AP*CP*GP*TP*AP*AP*CP*AP*TP*CP*GP*CP*GP*GP*TP*AP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*TP*AP*CP*CP*GP*CP*GP*AP*TP*GP*TP*TP*AP*CP*GP*T)-3'), DNA-binding response OmpR family regulator
Authors:Lin, W, Xu, J.C.
Deposit date:2022-12-04
Release date:2023-06-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
6L87
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BU of 6l87 by Molmil
Solution structure of the tandem PWWP-ARID domains of human RBBP1
Descriptor: AT-rich interactive domain-containing protein 4A
Authors:Gong, W.B, Perrett, S, Feng, Y.G.
Deposit date:2019-11-05
Release date:2021-01-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into chromatin recognition by multiple domains of the tumor suppressor RBBP1.
J.Mol.Biol., 2021
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
3UDD
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BU of 3udd by Molmil
Tankyrase-1 in complex with small molecule inhibitor
Descriptor: 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole, GLYCEROL, SULFATE ION, ...
Authors:Kirby, C.A, Stams, T.
Deposit date:2011-10-28
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:[1,2,4]triazol-3-ylsulfanylmethyl)-3-phenyl-[1,2,4]oxadiazoles: antagonists of the Wnt pathway that inhibit tankyrases 1 and 2 via novel adenosine pocket binding.
J.Med.Chem., 55, 2012
3LFM
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BU of 3lfm by Molmil
Crystal structure of the fat mass and obesity associated (FTO) protein reveals basis for its substrate specificity
Descriptor: 3-methylthymidine, FE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chai, J, Han, Z.
Deposit date:2010-01-18
Release date:2010-04-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the FTO protein reveals basis for its substrate specificity
Nature, 464, 2010
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
Descriptor: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
Authors:Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
Deposit date:2020-07-29
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
8HN6
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BU of 8hn6 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
Descriptor: Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1
Authors:Qi, J, Chen, Y.
Deposit date:2022-12-07
Release date:2023-05-17
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
8HDJ
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BU of 8hdj by Molmil
Periplasmic domain of RsgI2 of Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI2, Periplasmic domain of RsgI2
Authors:Chen, C, Dong, S, Feng, Y.G.
Deposit date:2022-11-04
Release date:2023-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HN7
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BU of 8hn7 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ...
Authors:Qi, J, Chen, Y.
Deposit date:2022-12-07
Release date:2023-05-17
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023

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数据于2024-09-04公开中

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