3P3G
 
 | | Crystal Structure of the Escherichia coli LpxC/LPC-009 complex | | Descriptor: | 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2010-10-04 | | Release date: | 2011-01-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
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3PS1
 | | Crystal structure of the Escherichia Coli LPXC/LPC-011 complex | | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2010-11-30 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
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5ZYT
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6A0Q
 | | The crystal structure of Lpg2622_E64 complex | | Descriptor: | Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | | Authors: | Gong, X, Ge, H. | | Deposit date: | 2018-06-06 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
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5ZYU
 | | The crystal structure of humanMGME1 with single strand DNA2 | | Descriptor: | DNA (5'-D(P*CP*AP*AP*CP*AP*AP*CP*A)-3'), GLYCEROL, Mitochondrial genome maintenance exonuclease 1 | | Authors: | Yang, C, Gan, J. | | Deposit date: | 2018-05-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
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5ZYV
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6A0N
 | | The crystal structure of apo-Lpg2622 | | Descriptor: | Lpg2622 | | Authors: | Gong, X, Ge, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-09-12 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
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5ZYW
 | | The crystal structure of apo-HsMGME1 with Mn2+ | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, MANGANESE (II) ION, ... | | Authors: | Yang, C, Gan, J. | | Deposit date: | 2018-05-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
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7E3O
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7DTZ
 | | FGFR4 complex with a covalent inhibitor | | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION | | Authors: | Chen, X.J, Dai, S.Y, Chen, Y.H. | | Deposit date: | 2021-01-07 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7VYO
 | | The structure of GdmN | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | Deposit date: | 2021-11-14 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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3HSZ
 | | Crystal structure of E. coli HPPK(F123A) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2009-06-11 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK
To be Published
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3HSJ
 | | Crystal structure of E. coli HPPK(N55A) | | Descriptor: | ACETATE ION, GLYCEROL, HPPK | | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2009-06-10 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK
To be Published
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3HSD
 | | Crystal structure of E. coli HPPK(Y53A) | | Descriptor: | CHLORIDE ION, GLYCEROL, HPPK, ... | | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2009-06-10 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK.
To be Published
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6IP0
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6IP4
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3ILL
 | | Crystal structure of E. coli HPPK(D97A) | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2009-08-07 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
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3ILI
 | | Crystal structure of E. coli HPPK(D95A) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2009-08-07 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
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8W9B
 | | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | | Descriptor: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Huang, X, Ren, X, Zhong, W. | | Deposit date: | 2023-09-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
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8W9A
 | | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site | | Descriptor: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Huang, X, Ren, X, Zhong, W. | | Deposit date: | 2023-09-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
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6JIJ
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3K1R
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3KUG
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3KUE
 | | Crystal structure of E. coli HPPK(E77A) | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION | | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2009-11-27 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.538 Å) | | Cite: | Roles of residues E77 and H115 in E. coli HPPK
To be Published
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3L59
 | | Structure of BACE Bound to SCH710413 | | Descriptor: | (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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