5VJ2
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![BU of 5vj2 by Molmil](/molmil-images/mine/5vj2) | 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
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4XMK
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4XML
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![BU of 4xml by Molmil](/molmil-images/mine/4xml) | 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
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6BOG
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![BU of 6bog by Molmil](/molmil-images/mine/6bog) | 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
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4OK9
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4REU
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![BU of 4reu by Molmil](/molmil-images/mine/4reu) | 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
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4OKQ
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8GKV
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![BU of 8gkv by Molmil](/molmil-images/mine/8gkv) | 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
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4PZV
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![BU of 4pzv by Molmil](/molmil-images/mine/4pzv) | 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
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6AN6
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![BU of 6an6 by Molmil](/molmil-images/mine/6an6) | 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
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5GT0
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![BU of 5gt0 by Molmil](/molmil-images/mine/5gt0) | 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
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5GSU
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![BU of 5gsu by Molmil](/molmil-images/mine/5gsu) | 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
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6AN4
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![BU of 6an4 by Molmil](/molmil-images/mine/6an4) | 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
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5GT3
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![BU of 5gt3 by Molmil](/molmil-images/mine/5gt3) | 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
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4GEV
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![BU of 4gev by Molmil](/molmil-images/mine/4gev) | 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
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7KDO
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![BU of 7kdo by Molmil](/molmil-images/mine/7kdo) | 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
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7KDR
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![BU of 7kdr by Molmil](/molmil-images/mine/7kdr) | 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
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4F7V
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![BU of 4f7v by Molmil](/molmil-images/mine/4f7v) | 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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