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5VJ2
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BU of 5vj2 by Molmil
Structure of human respiratory syncytial virus non-structural protein 1 (NS1)
Descriptor: 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, GLYCEROL, ...
Authors:Leung, D.W, Borek, D.M, Amarasinghe, G.K.
Deposit date:2017-04-18
Release date:2017-07-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural basis for human respiratory syncytial virus NS1-mediated modulation of host responses.
Nat Microbiol, 2, 2017
4XMK
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BU of 4xmk by Molmil
Crystal structure of Fab of HIV-1 gp120 V3-specific human monoclonal antibody 2424 in complex with JR-FL V3 peptide
Descriptor: HIV-1 JR-FL gp120 V3 peptide, Heavy chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424, Light chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424
Authors:Kong, X.-P, Pan, R.
Deposit date:2015-01-14
Release date:2015-07-08
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (3.179 Å)
Cite:Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL.
J.Virol., 89, 2015
4XML
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BU of 4xml by Molmil
Crystal structure of Fab of HIV-1 gp120 V3-specific human monoclonal antibody 2424
Descriptor: Heavy chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424, Light chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424
Authors:Pan, R, Kong, X.-P.
Deposit date:2015-01-14
Release date:2015-07-08
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL.
J.Virol., 89, 2015
6BOG
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BU of 6bog by Molmil
Crystal structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription
Descriptor: RNA polymerase-associated protein RapA, SULFATE ION
Authors:Shaw, G.X, Gan, J, Zhou, Y.N, Zhang, R, Joachimiak, A, Jin, D.J, Ji, X.
Deposit date:2017-11-20
Release date:2017-12-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription.
Structure, 16, 2008
4OK9
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BU of 4ok9 by Molmil
Crystal structure of the single-stranded RNA binding protein HutP from Geobacillus thermodenitrificans
Descriptor: HISTIDINE, Hut operon positive regulatory protein, MAGNESIUM ION
Authors:Thiruselvam, V, Ponnuswamy, M.N, Kumarevel, T.S.
Deposit date:2014-01-22
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of the single-stranded RNA binding protein HutP from Geobacillus thermodenitrificans
Biochem.Biophys.Res.Commun., 446, 2014
4REU
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BU of 4reu by Molmil
Revelation of Endogenously bound Fe2+ ions in the Crystal Structure of Ferritin from Escherichia coli
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FE (III) ION, ...
Authors:Thiruselvam, V, Ponnuswamy, M.N, Kumarevel, T.S.
Deposit date:2014-09-24
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Revelation of endogenously bound Fe(2+) ions in the crystal structure of ferritin from Escherichia coli.
Biochem.Biophys.Res.Commun., 453, 2014
4OKQ
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BU of 4okq by Molmil
Crystal structure of the single-stranded RNA binding protein HutP from Geobacillus thermodenitrificans
Descriptor: HISTIDINE, Hut operon positive regulatory protein, MAGNESIUM ION
Authors:Thiruselvam, V, Ponnuswamy, M.N, Kumarevel, T.S.
Deposit date:2014-01-22
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the single-stranded RNA binding protein HutP from Geobacillus thermodenitrificans
Biochem.Biophys.Res.Commun., 446, 2014
8GKV
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BU of 8gkv by Molmil
Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X.
Deposit date:2023-03-20
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis
to be published
4PZV
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BU of 4pzv by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2014-03-31
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
6AN6
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BU of 6an6 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2017-08-12
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
5GT0
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BU of 5gt0 by Molmil
Crystal structure of nucleosome complex with human testis-specific histone variants, Th2a
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-A, ...
Authors:Kumarevel, T, Sivaraman, P.
Deposit date:2016-08-18
Release date:2017-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b
Biophys. Chem., 221, 2017
5GSU
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BU of 5gsu by Molmil
Crystal structure of nucleosome core particle consisting of human testis-specific histone variants, Th2A and Th2B
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-A, ...
Authors:Kumarevel, T, Sivaraman, P.
Deposit date:2016-08-17
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b
Biophys. Chem., 221, 2017
6AN4
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BU of 6an4 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F)
Descriptor: ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2017-08-12
Release date:2018-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
5GT3
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BU of 5gt3 by Molmil
Crystal structure of nucleosome particle in the presence of human testis-specific histone variant, hTh2b
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-D, ...
Authors:Kumarevel, T, Sivaraman, P.
Deposit date:2016-08-18
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b
Biophys. Chem., 221, 2017
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
Authors:Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
Deposit date:2012-08-02
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
7KDO
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BU of 7kdo by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
7KDR
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BU of 7kdr by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ...
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
4F7V
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BU of 4f7v by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D (HP26)
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2012-05-16
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode.
Bioorg.Med.Chem., 20, 2012
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