8TXG
 
 | | Crystal structure of KRAS G12D in complex with GDP and compound 8 | | Descriptor: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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6OQ5
 | | Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | | Descriptor: | 5D, 7F, E3, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.87 Å) | | Cite: | Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
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6N2N
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7K6O
 | | Crystal structure of PI3Kalpha inhibitor 10-5429 | | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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6N2O
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7K71
 | | Crystal structure of PI3Kalpha inhibitor 4-0686 | | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6N
 | | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6M
 | | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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4KNG
 | | Crystal structure of human LGR5-RSPO1-RNF43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF43, Leucine-rich repeat-containing G-protein coupled receptor 5, ... | | Authors: | Chen, P.H, He, X. | | Deposit date: | 2013-05-09 | | Release date: | 2013-06-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural basis of R-spondin recognition by LGR5 and RNF43.
Genes Dev., 27, 2013
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6CIN
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6CIQ
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6CIO
 | | Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with lactyl-TPP bound | | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Chen, P.Y.-T, Drennan, C.L. | | Deposit date: | 2018-02-24 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5CNV
 | | Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to GDP and TTP at 3.20 Angstroms resolution | | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-07-18 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
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5CNS
 | | Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to CDP and dATP at 2.97 Angstroms resolution | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-07-18 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.975 Å) | | Cite: | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
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5CNU
 | | Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to ADP and dGTP at 3.40 Angstroms resolution | | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-07-18 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
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7ML7
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5CNT
 | | Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to UDP and dATP at 3.25 Angstroms resolution | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ... | | Authors: | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-07-18 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
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2BV6
 | | Crystal structure of MgrA, a global regulator and major virulence determinant in Staphylococcus aureus | | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR MGRA, SULFATE ION | | Authors: | Chen, P.R, Bae, T, Williams, W.A, Duguid, E.M, Rice, P.A, Schneewind, O, He, C. | | Deposit date: | 2005-06-22 | | Release date: | 2006-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An Oxidation-Sensing Mechanism is Used by the Global Regulator Mgra in Staphylococcus Aureus.
Nat.Chem.Biol., 2, 2006
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8FTC
 | | Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | | Descriptor: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | | Deposit date: | 2023-01-11 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism.
Acs Bio Med Chem Au, 3, 2023
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6C0B
 | | Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2017-12-28 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
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4LZN
 | | Crystal structure of human PRS1 D65N mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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4M0P
 | | Crystal structure of human PRS1 M115T mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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4LYG
 | | Crystal structure of human PRS1 E43T mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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4M0U
 | | crystal structure of human PRS1 Q133P mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-08-02 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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4LZO
 | | Crystal structure of human PRS1 A87T mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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