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2MWH
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BU of 2mwh by Molmil
NMR solution structure of ligand-free OAA
Descriptor: Anti-HIV lectin OAA
Authors:Lee, D, Carneiro, M.G, Koharudin, L.M, Griesinger, C, Gronenborn, A.M, Ban, D, Sabo, T, Trigo-Mourino, P, Mazur, A.
Deposit date:2014-11-10
Release date:2015-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sampling of Glycan-Bound Conformers by the Anti-HIV Lectin Oscillatoria agardhii agglutinin in the Absence of Sugar.
Angew.Chem.Int.Ed.Engl., 54, 2015
2N64
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BU of 2n64 by Molmil
NMR Structure of the C-terminal Coiled-Coil Domain of CIN85
Descriptor: SH3 domain-containing kinase-binding protein 1
Authors:Habeck, M, Becker, S, Griesinger, C, Wong, L.E.
Deposit date:2015-08-11
Release date:2016-07-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The adaptor protein CIN85 assembles intracellular signaling clusters for B cell activation.
Sci.Signal., 9, 2016
2O20
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BU of 2o20 by Molmil
Crystal structure of transcription regulator CcpA of Lactococcus lactis
Descriptor: CHLORIDE ION, Catabolite control protein A, SULFATE ION
Authors:Loll, B, Kowalczyk, M, Alings, C, Chieduch, A, Bardowski, J, Saenger, W, Biesiadka, J.
Deposit date:2006-11-29
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the transcription regulator CcpA from Lactococcus lactis
Acta Crystallogr.,Sect.D, 63, 2007
6U82
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BU of 6u82 by Molmil
Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer containing bulge and loop
Descriptor: DNA (38-MER), Double homeobox protein 4
Authors:Shi, K, Aihara, H.
Deposit date:2019-09-04
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
6U81
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BU of 6u81 by Molmil
Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ...
Authors:Shi, K, Aihara, H.
Deposit date:2019-09-04
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
8KGS
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BU of 8kgs by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
Descriptor: DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Cong, J, Xin, Y, Li, X, Chen, Y.
Deposit date:2023-08-19
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGL
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BU of 8kgl by Molmil
Structure of African swine fever virus topoisomerase II
Descriptor: DNA topoisomerase 2
Authors:Cong, J, Xin, Y, Li, X, Chen, Y.
Deposit date:2023-08-19
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGR
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BU of 8kgr by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
Descriptor: DNA (32-MER), DNA (33-MER), DNA topoisomerase 2, ...
Authors:Cong, J, Xin, U, Li, X, Chen, Y.
Deposit date:2023-08-19
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGQ
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BU of 8kgq by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
Descriptor: DNA (38-MER), DNA topoisomerase 2
Authors:Cong, J, Xin, Y, Li, X, Chen, Y.
Deposit date:2023-08-19
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGM
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BU of 8kgm by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
Descriptor: DNA (38-MER), DNA topoisomerase 2
Authors:Cong, J, Xin, Y, Li, X, Chen, Y.
Deposit date:2023-08-19
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGN
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BU of 8kgn by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
Descriptor: DNA (38-MER), DNA topoisomerase 2
Authors:Cong, J, Xin, Y, Li, X, Chen, Y.
Deposit date:2023-08-19
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
3I9Z
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BU of 3i9z by Molmil
Crystal structure of a metallochaperone with a trinuclear Cu(I) cluster
Descriptor: COPPER (I) ION, Copper chaperone copZ
Authors:Hearnshaw, S.J, Zhou, L, Le Brun, N.E, Hemmings, A.M.
Deposit date:2009-07-13
Release date:2009-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into Cu(I) cluster transfer between the chaperone CopZ and its cognate Cu(I)-transporting P-type ATPase, CopA.
Biochem.J., 424, 2009
2YOF
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BU of 2yof by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ...
Authors:Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
Deposit date:2012-10-24
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
2YOG
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BU of 2yog by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE
Authors:Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
Deposit date:2012-10-24
Release date:2013-07-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
2WQB
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BU of 2wqb by Molmil
Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor
Descriptor: 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR
Authors:Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A.
Deposit date:2009-08-18
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009
1W1W
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BU of 1w1w by Molmil
Sc Smc1hd:Scc1-C complex, ATPgS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SISTER CHROMATID COHESION PROTEIN 1, ...
Authors:Haering, C, Nasmyth, K, Lowe, J.
Deposit date:2004-06-24
Release date:2004-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and stability of cohesin's Smc1-kleisin interaction.
Mol. Cell, 15, 2004
2YOH
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BU of 2yoh by Molmil
Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor
Descriptor: 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE
Authors:Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
Deposit date:2012-10-24
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
Authors:Liuqing, C, Yan, F.
Deposit date:2019-04-29
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
5VB8
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BU of 5vb8 by Molmil
Crystal structure of the NavAb voltage-gated sodium channel in an open state
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, SODIUM ION, ...
Authors:Lenaeus, M.J, Catterall, W.A.
Deposit date:2017-03-28
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of closed and open states of a voltage-gated sodium channel.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5K3D
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BU of 5k3d by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Apo - No Halide
Descriptor: Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5K3F
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BU of 5k3f by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
4RDT
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BU of 4rdt by Molmil
Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (flexible conformation bound to a zinc ion)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, GLYCEROL, SULFATE ION, ...
Authors:Calmettes, C, El Bakkouri, M, Moraes, T.F.
Deposit date:2014-09-19
Release date:2015-08-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
5V3B
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BU of 5v3b by Molmil
Human A20 OTU domain (WT) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
5V3P
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BU of 5v3p by Molmil
Human A20 OTU domain (I325N) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
5V3X
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BU of 5v3x by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017

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