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2JS5
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BU of 2js5 by Molmil
NMR Structure of protein Q60C73_METCA. Northeast Structural Genomics Consortium target McR1
Descriptor: Uncharacterized protein
Authors:Singarapu, K.K, Wu, Y, Eletsky, A, Sukumaran, D, Parish, D, Chen, C.X, Nwosu, C, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-29
Release date:2007-07-31
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR Structure of protein Q60C73_METCA.
To be Published
4MW5
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BU of 4mw5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415)
Descriptor: 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.347 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWD
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BU of 4mwd by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW2
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BU of 4mw2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
Descriptor: 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW7
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BU of 4mw7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469)
Descriptor: 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
2KHD
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BU of 2khd by Molmil
Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52
Descriptor: Uncharacterized protein VC_A0919
Authors:Ramelot, T.A, Cort, J.R, Wang, H, Ciccosanti, C, Jiang, M, Liu, J, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-04-02
Release date:2009-06-16
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52.
To be Published
2NRY
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BU of 2nry by Molmil
Crystal structure of IRAK-4
Descriptor: STAUROSPORINE, interleukin-1 receptor-associated kinase 4
Authors:Wang, Z, Liu, J, Walker, N.P.C.
Deposit date:2006-11-02
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper.
Structure, 14, 2006
2K7K
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BU of 2k7k by Molmil
Human Acylphosphatase (AcPh) common type
Descriptor: Acylphosphatase-1
Authors:Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I.
Deposit date:2008-08-13
Release date:2009-02-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
Proc.Natl.Acad.Sci.USA, 106, 2009
2K5R
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BU of 2k5r by Molmil
Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
Descriptor: uncharacterized protein XF2673
Authors:Tang, Y, Wang, H, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
To be Published
2OA4
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BU of 2oa4 by Molmil
Solution NMR Structure: Northeast Structural Genomics Consortium Target SiR5
Descriptor: SiR5
Authors:Wang, L, Rossi, P, Chen, C.X, Nwosu, C, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Burkhard, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-12-14
Release date:2007-03-06
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target SiR5
To be Published
2NRU
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BU of 2nru by Molmil
Crystal structure of IRAK-4
Descriptor: 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Wang, Z, Liu, J, Walker, N.P.C.
Deposit date:2006-11-02
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper.
Structure, 14, 2006
2K5W
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BU of 2k5w by Molmil
Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.
Descriptor: Hypothetical Cytosolic Protein BcR103A
Authors:Conover, K.M, Swapna, G, Rossi, P, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.
To be Published
2KCD
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BU of 2kcd by Molmil
Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6.
Descriptor: Uncharacterized protein SSP0047
Authors:Ramelot, T.A, Ding, K, Chen, C.X, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-19
Release date:2009-02-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6.
To be Published
6JCB
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BU of 6jcb by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2 space group
Descriptor: CrmG
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6KOI
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BU of 6koi by Molmil
Crystal structure of SNX11-PXe domain in dimer form.
Descriptor: Sorting nexin-11
Authors:Xu, T, Xu, J, Liu, J.
Deposit date:2019-08-11
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular Basis for PI(3,5)P2Recognition by SNX11, a Protein Involved in Lysosomal Degradation and Endosome Homeostasis Regulation.
J.Mol.Biol., 432, 2020
7DEA
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BU of 7dea by Molmil
Structure of an avian influenza H5 hemagglutinin from the influenza virus A/duck Northern China/22/2017 (H5N6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Sun, H, Sun, H, Song, J, Zhang, W, Wei, X, Qi, J, Gao, G.F, Liu, J.
Deposit date:2020-11-03
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Haemagglutinin and neuraminidase acid stability in H5N6 avian influenza virus confers infection adaptation in mammals
To Be Published
7DEB
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BU of 7deb by Molmil
Structure of an avian influenza H5 hemagglutinin from the influenza virus A/duck/Eastern China/L0230/2010 (H5N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Sun, H, Sun, H, Song, J, Zhang, W, Qi, J, Gao, G.F, Liu, J.
Deposit date:2020-11-03
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Haemagglutinin and neuraminidase acid stability in H5N6 avian influenza virus confers infection adaptation in mammals
To Be Published
5ZMD
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BU of 5zmd by Molmil
Crystal structure of FTO in complex with m6dA modified ssDNA
Descriptor: Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ...
Authors:Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F.
Deposit date:2018-04-02
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4MWE
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BU of 4mwe by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475)
Descriptor: 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
6JCA
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BU of 6jca by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in I222 space group
Descriptor: CHLORIDE ION, CrmG, GLYCEROL, ...
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JC8
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BU of 6jc8 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Glu
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, CrmG, GLYCEROL
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
4MW6
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BU of 4mw6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476)
Descriptor: 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.558 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MVX
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BU of 4mvx by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
6N8V
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BU of 6n8v by Molmil
Hsp104DWB open conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104
Authors:Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F.
Deposit date:2018-11-30
Release date:2019-01-02
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9.3 Å)
Cite:Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation.
Cell Rep, 26, 2019
6N8Z
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BU of 6n8z by Molmil
HSP104DWB extended conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104
Authors:Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F.
Deposit date:2018-11-30
Release date:2019-01-02
Last modified:2019-01-16
Method:ELECTRON MICROSCOPY (9.3 Å)
Cite:Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation.
Cell Rep, 26, 2019

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