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7F41
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BU of 7f41 by Molmil
PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
Descriptor: 3-aminobenzamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39721382 Å)
Cite:PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
To Be Published
7F43
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BU of 7f43 by Molmil
PARP15 catalytic domain in complex with Niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhou, H, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PARP15 catalytic domain in complex with Niraparib
To Be Published
7EOZ
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BU of 7eoz by Molmil
The structure of rice Defective Pollen Wall (DPW) in the complex with its cofactor NADP
Descriptor: Fatty acyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Yan, L.M, Wang, W, Li, G, Wang, J.
Deposit date:2021-04-24
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Defective Pollen Wall Bridges Lipid and Sugar Metabolisms in Plant Male Reproductive Development
To Be Published
5CUQ
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BU of 5cuq by Molmil
Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
Descriptor: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, Nonstructural protein NS5
Authors:Brecher, B, Chen, H, Li, Z, Banavali, N.K, Jones, S.A, Zhang, J, Kramer, L.D, Li, H.M.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus Methyltransferase.
Acs Infect Dis., 1, 2015
4NCA
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BU of 4nca by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA 19-mer and target DNA in the presence of Mg2+
Descriptor: 5'-D(*AP*CP*AP*AP*CP*C)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-10-24
Release date:2014-01-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
7DR9
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BU of 7dr9 by Molmil
Crystal structure of MERS-CoV 3CL protease (C148A) in spacegroup P212121
Descriptor: 3C-like proteinase
Authors:Zhong, F.L, Lin, C, Zhang, J, Li, J.
Deposit date:2020-12-27
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.775871 Å)
Cite:Crystal structure of MERS-CoV 3CL protease (C148A) in spacegroup P212121
To Be Published
3SQ0
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BU of 3sq0 by Molmil
DNA Polymerase(L561A/S565G/Y567A) Ternary Complex with dUpNpp Opposite dA (Mn2+)
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-04
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase.
Biochemistry, 50, 2011
2KZ1
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BU of 2kz1 by Molmil
Inter-molecular interactions in a 44 kDa interferon-receptor complex detected by asymmetric back-protonation and 2D NOESY
Descriptor: Interferon alpha-2, Soluble IFN alpha/beta receptor
Authors:Nudelman, I, Akabayov, S.R, Schnur, E, Biron, Z, Levy, R, Xu, Y, Yang, D, Anglister, J.
Deposit date:2010-06-10
Release date:2010-06-23
Last modified:2021-08-18
Method:SOLUTION NMR
Cite:Intermolecular interactions in a 44 kDa interferon-receptor complex detected by asymmetric reverse-protonation and two-dimensional NOESY
Biochemistry, 49, 2010
4NCB
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BU of 4ncb by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA and 19-mer target DNA with Mg2+
Descriptor: 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3', 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-10-24
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.189 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
5Z3N
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BU of 5z3n by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(5FC)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
Authors:Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
Deposit date:2018-01-08
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
4CKB
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BU of 4ckb by Molmil
Vaccinia virus capping enzyme complexed with GTP and SAH
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MRNA-CAPPING ENZYME CATALYTIC SUBUNIT, MRNA-CAPPING ENZYME REGULATORY SUBUNIT, ...
Authors:Kyrieleis, O.J.P, Chang, J, de la Pena, M, Shuman, S, Cusack, S.
Deposit date:2014-01-02
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Vaccinia Virus Mrna Capping Enzyme Provides Insights Into the Mechanism and Evolution of the Capping Apparatus.
Structure, 22, 2014
4NN2
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BU of 4nn2 by Molmil
Protein Crystal Structure of Human Borjeson-Forssman-Lehmann Syndrome Associated Protein PHF6
Descriptor: GLYCEROL, PHD finger protein 6, ZINC ION
Authors:Liu, Z, Li, F, Zhang, J, Mei, Y, Wu, J, Shi, Y.
Deposit date:2013-11-16
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.472 Å)
Cite:Crystal Structure of the second extended PHD domain of human PHF6 protein
J.Biol.Chem., 2014
3DJD
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BU of 3djd by Molmil
Crystal structure of the deglycating enzyme fructosamine oxidase from Aspergillus fumigatus (Amadoriase II)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase
Authors:Collard, F, Zhang, J, Nemet, I, Qanungo, K.R, Monnier, V.M, Yee, V.C.
Deposit date:2008-06-23
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the deglycating enzyme fructosamine oxidase (FAOX-II)
To be Published
4MSR
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BU of 4msr by Molmil
RNA 10mer duplex with six 2'-5'-linkages
Descriptor: RNA 10mer duplex with six 2'-5'-linkages, STRONTIUM ION
Authors:Sheng, J, Li, L, Engelhart, A.E, Gan, J, Wang, J, Szostak, J.W.
Deposit date:2013-09-18
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural insights into the effects of 2'-5' linkages on the RNA duplex.
Proc.Natl.Acad.Sci.USA, 111, 2014
1QRZ
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BU of 1qrz by Molmil
CATALYTIC DOMAIN OF PLASMINOGEN
Descriptor: PLASMINOGEN
Authors:Peisach, E, Wang, J, de los Santos, T, Reich, E, Ringe, D.
Deposit date:1999-06-16
Release date:1999-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the proenzyme domain of plasminogen.
Biochemistry, 38, 1999
3P49
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BU of 3p49 by Molmil
Crystal Structure of a Glycine Riboswitch from Fusobacterium nucleatum
Descriptor: GLYCINE, GLYCINE RIBOSWITCH, MAGNESIUM ION, ...
Authors:Butler, E.B, Wang, J, Xiong, Y, Strobel, S.
Deposit date:2010-10-06
Release date:2011-04-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis of cooperative ligand binding by the glycine riboswitch.
Chem.Biol., 18, 2011
4N76
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BU of 4n76 by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA and cleaved target DNA with Mn2+
Descriptor: 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', Argonaute, ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-10-15
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CC6
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BU of 4cc6 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Descriptor: 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION
Authors:Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A.
Deposit date:2013-10-18
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
3SJJ
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BU of 3sjj by Molmil
RB69 DNA Polymerase Triple Mutant (L561A/S565G/Y567A) Ternary Complex with dUpNpp and a Deoxy-terminated Primer in the presence of Mn2+
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ...
Authors:Wang, M, Wang, J, Konigsberg, W.H.
Deposit date:2011-06-21
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase.
Biochemistry, 50, 2011
3OK8
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BU of 3ok8 by Molmil
I-BAR OF PinkBAR
Descriptor: Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 2, GLYCEROL
Authors:Boczkowska, M, Rebowski, G, Saarikangas, J, Lappalainen, P, Dominguez, R.
Deposit date:2010-08-24
Release date:2011-07-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Pinkbar is an epithelial-specific BAR domain protein that generates planar membrane structures.
Nat.Struct.Mol.Biol., 18, 2011
2AOR
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BU of 2aor by Molmil
Crystal structure of MutH-hemimethylated DNA complex
Descriptor: 5'-D(*CP*AP*GP*GP*(6MA)P*TP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*AP*TP*CP*CP*TP*G)-3', CALCIUM ION, DNA mismatch repair protein mutH
Authors:Lee, J.Y, Chang, J, Joseph, N, Ghirlando, R, Rao, D.N, Yang, W.
Deposit date:2005-08-13
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:MutH complexed with hemi- and unmethylated DNAs: coupling base recognition and DNA cleavage.
Mol.Cell, 20, 2005
2MZX
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BU of 2mzx by Molmil
CCR5-ECL2 helical structure, residues Q186-T195
Descriptor: C-C chemokine receptor type 5
Authors:Abayev, M, Anglister, J.
Deposit date:2015-02-26
Release date:2015-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions.
Febs J., 282, 2015
3UXM
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BU of 3uxm by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Descriptor: 5'-deoxy-5'-fluorothymidine, MAGNESIUM ION, Thymidylate kinase
Authors:Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
Deposit date:2011-12-05
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
4BYG
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BU of 4byg by Molmil
ATPase crystal structure
Descriptor: COPPER EFFLUX ATPASE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ...
Authors:Mattle, D, Drachmann, N.D, Liu, X.Y, Pedersen, B.P, Morth, J.P, Wang, J, Gourdon, P, Nissen, P.
Deposit date:2013-07-19
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dephosphorylation of Pib-Type Cu(I)-Atpases as Studied by Metallofluoride Complexes
To be Published
4JNT
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BU of 4jnt by Molmil
Crystal structure of the ectodomain of Bovine viral diarrhea virus 1 E2 envelope protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2
Authors:Li, Y, Wang, J, Modis, Y.
Deposit date:2013-03-15
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.09 Å)
Cite:Crystal structure of glycoprotein E2 from bovine viral diarrhea virus.
Proc.Natl.Acad.Sci.USA, 110, 2013

222415

数据于2024-07-10公开中

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