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4XE9
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BU of 4xe9 by Molmil
Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with Optactin
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2014-12-23
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJW
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BU of 4xjw by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJ9
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BU of 4xj9 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XOG
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BU of 4xog by Molmil
CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH Optactin and DANA
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Brear, P.
Deposit date:2015-01-16
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
6B57
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BU of 6b57 by Molmil
tudor in complex with ligand
Descriptor: Tudor and KH domain-containing protein, UNKNOWN ATOM OR ION
Authors:Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-09-28
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5J79
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BU of 5j79 by Molmil
The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex
Descriptor: 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
Authors:Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S.
Deposit date:2016-04-06
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
5EXE
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BU of 5exe by Molmil
Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-TPP adduct
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ...
Authors:Gibson, M.I, Chen, P.Y.-T, Drennan, C.L.
Deposit date:2015-11-23
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XHX
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BU of 4xhx by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin and 2-[(3-Chlorobenzyl)ammonio]ethanesulfonate
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-[(3-chlorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, ...
Authors:Brear, P.
Deposit date:2015-01-06
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4PXM
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BU of 4pxm by Molmil
The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with Estradiol and a glucocorticoid receptor-interacting protein 1 NR box II peptide
Descriptor: ESTRADIOL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Fanning, S.W, Panchamukhi, S, Greene, G.L.
Deposit date:2014-03-24
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4XIL
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BU of 4xil by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with MPD as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-07
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XMA
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BU of 4xma by Molmil
Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in complex with Optactin
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-14
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
8H3W
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BU of 8h3w by Molmil
Crystal structure of chicken egg lysozyme at ambient temperature
Descriptor: Lysozyme C
Authors:DeMirci, H.
Deposit date:2022-10-09
Release date:2023-03-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Rapid and efficient ambient temperature X-ray crystal structure determination at Turkish Light Source.
Sci Rep, 13, 2023
2RUD
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BU of 2rud by Molmil
Solution structure of the peptidyl prolyl cis-trans isomerase domain of C113D mutant human Pin1 with sulfate ion
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Xu, N, Tamari, Y, Tochio, N, Tate, S.
Deposit date:2014-03-25
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C113D mutation in human Pin1 causes allosteric structural changes in the phosphate binding pocket of the PPIase domain through the tug of war in the dual-histidine motif.
Biochemistry, 53, 2014
2RUC
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BU of 2ruc by Molmil
Solution structure of the peptidyl prolyl cis-trans isomerase domain of human Pin1 with sulfate ion
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Xu, N, Tamari, Y, Tochio, N, Tate, S.
Deposit date:2014-03-25
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C113D mutation in human Pin1 causes allosteric structural changes in the phosphate binding pocket of the PPIase domain through the tug of war in the dual-histidine motif.
Biochemistry, 53, 2014
7BQX
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BU of 7bqx by Molmil
Epstein-Barr virus, C5 portal vertex
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-03-25
Release date:2020-09-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
7BR7
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BU of 7br7 by Molmil
Epstein-Barr virus, C1 portal-proximal penton vertex, CATC binding
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-03-26
Release date:2020-09-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
5YI9
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BU of 5yi9 by Molmil
Solution structure of the LEDGF/p75 IBD - JPO2 (aa 56-91) complex
Descriptor: PC4 and SFRS1-interacting protein,Cell division cycle-associated 7-like protein
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-08-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5J7B
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BU of 5j7b by Molmil
The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, GSK583 complex
Descriptor: 6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S.
Deposit date:2016-04-06
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
3V6A
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BU of 3v6a by Molmil
Helical repeat structure of apoptosis inhibitor 5 reveals protein-protein interaction modules
Descriptor: Apoptosis inhibitor 5
Authors:Lee, B.I, Han, B.G, Lee, S.J.
Deposit date:2011-12-19
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Helical repeat structure of apoptosis inhibitor 5 reveals protein-protein interaction modules.
J.Biol.Chem., 287, 2012
5ZCJ
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BU of 5zcj by Molmil
Crystal structure of complex
Descriptor: TP53-binding protein 1, Tudor-interacting repair regulator protein
Authors:Wang, J, Yuan, Z, Cui, Y, Xie, R, Wang, M, Ma, Y, Yu, X, Liu, X.
Deposit date:2018-02-17
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Crystal structure of complex
To Be Published
3UI4
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BU of 3ui4 by Molmil
0.8 A resolution crystal structure of human Parvulin 14
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UI5
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BU of 3ui5 by Molmil
Crystal structure of human Parvulin 14
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UI6
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BU of 3ui6 by Molmil
0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2012-11-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
8IKX
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BU of 8ikx by Molmil
An Arabidopsis polygalacturonase PGLR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pectin lyase-like superfamily protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Xiao, Y, Chai, J.
Deposit date:2023-03-01
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
4NYH
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BU of 4nyh by Molmil
Orthorhombic crystal form of pir1 dual specificity phosphatase core
Descriptor: CHLORIDE ION, PHOSPHATE ION, RNA/RNP complex-1-interacting phosphatase
Authors:Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
Deposit date:2013-12-10
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of Human PIR1, an Atypical Dual-Specificity Phosphatase.
Biochemistry, 53, 2014

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数据于2024-07-31公开中

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