3UDE
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![BU of 3ude by Molmil](/molmil-images/mine/3ude) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-28 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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3UD5
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![BU of 3ud5 by Molmil](/molmil-images/mine/3ud5) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-27 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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3UDV
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![BU of 3udv by Molmil](/molmil-images/mine/3udv) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-28 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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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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2NUF
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![BU of 2nuf by Molmil](/molmil-images/mine/2nuf) | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 2.5-Angstrom Resolution | Descriptor: | 28-MER, MAGNESIUM ION, Ribonuclease III | Authors: | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | Deposit date: | 2006-11-09 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A stepwise model for double-stranded RNA processing by ribonuclease III. Mol.Microbiol., 67, 2007
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2NUG
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![BU of 2nug by Molmil](/molmil-images/mine/2nug) | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 1.7-Angstrom Resolution | Descriptor: | 5'-R(P*AP*AP*GP*GP*UP*CP*AP*UP*UP*CP*G)-3', 5'-R(P*AP*GP*UP*GP*GP*CP*CP*UP*UP*GP*C)-3', MAGNESIUM ION, ... | Authors: | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | Deposit date: | 2006-11-09 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A stepwise model for double-stranded RNA processing by ribonuclease III. Mol.Microbiol., 67, 2007
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2NUE
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![BU of 2nue by Molmil](/molmil-images/mine/2nue) | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 2.9-Angstrom Resolution | Descriptor: | 46-MER, Ribonuclease III | Authors: | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | Deposit date: | 2006-11-09 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A stepwise model for double-stranded RNA processing by ribonuclease III. Mol.Microbiol., 67, 2007
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2PCX
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![BU of 2pcx by Molmil](/molmil-images/mine/2pcx) | Crystal structure of p53DBD(R282Q) at 1.54-angstrom Resolution | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Tu, C, Shaw, G, Ji, X. | Deposit date: | 2007-03-30 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Impact of low-frequency hotspot mutation R282Q on the structure of p53 DNA-binding domain as revealed by crystallography at 1.54 angstroms resolution. Acta Crystallogr.,Sect.D, 64, 2008
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2Q0S
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![BU of 2q0s by Molmil](/molmil-images/mine/2q0s) | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | Descriptor: | Aryl esterase, SULFATE ION | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | Deposit date: | 2007-05-22 | Release date: | 2007-12-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. Biochemistry, 46, 2007
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2Q0Q
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![BU of 2q0q by Molmil](/molmil-images/mine/2q0q) | Structure of the Native M. Smegmatis Aryl Esterase | Descriptor: | GLYCEROL, SULFATE ION, aryl esterase | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | Deposit date: | 2007-05-22 | Release date: | 2007-12-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. Biochemistry, 46, 2007
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1Q5P
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![BU of 1q5p by Molmil](/molmil-images/mine/1q5p) | S156E/S166D variant of Bacillus lentus subtilisin | Descriptor: | CALCIUM ION, SULFATE ION, Serine protease | Authors: | Bott, R.R, Chan, G, Domingo, B, Ganshaw, G, Hsia, C.Y, Knapp, M, Murray, C.J. | Deposit date: | 2003-08-08 | Release date: | 2003-11-11 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Do enzymes change the nature of transition states? Mapping the transition state for general acid-base catalysis of a serine protease Biochemistry, 42, 2003
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3QGV
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![BU of 3qgv by Molmil](/molmil-images/mine/3qgv) | Crystal structure of a thermostable amylase variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha amylase, CALCIUM ION, ... | Authors: | Hein, K.L, Ganshaw, G, Bott, R, Nissen, P. | Deposit date: | 2011-01-25 | Release date: | 2012-02-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a highly mutated, thermostable xCExB1-amylase variant To be Published
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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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1VVC
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![BU of 1vvc by Molmil](/molmil-images/mine/1vvc) | |
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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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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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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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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1VVD
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![BU of 1vvd by Molmil](/molmil-images/mine/1vvd) | |
1VVE
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![BU of 1vve by Molmil](/molmil-images/mine/1vve) | |
2QX0
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![BU of 2qx0 by Molmil](/molmil-images/mine/2qx0) | Crystal Structure of Yersinia pestis HPPK (Ternary Complex) | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Blaszczyk, J, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | Deposit date: | 2007-08-10 | Release date: | 2007-10-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and activity of Yersinia pestis 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as a novel target for the development of antiplague therapeutics. Acta Crystallogr.,Sect.D, 63, 2007
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1BAK
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![BU of 1bak by Molmil](/molmil-images/mine/1bak) | |
1C9N
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![BU of 1c9n by Molmil](/molmil-images/mine/1c9n) | |
1C9J
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![BU of 1c9j by Molmil](/molmil-images/mine/1c9j) | |