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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7XT3
| Crystal Structure of Hepatitis virus A 2C protein 128-335 aa | Descriptor: | Genome polyprotein, PHOSPHATE ION | Authors: | Chen, P, Wojdyla, J.A, Li, Z, Wang, M, Cui, S. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA. Nucleic Acids Res., 50, 2022
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4F8E
| Crystal structure of human PRS1 D52H mutant | Descriptor: | MAGNESIUM ION, Ribose-phosphate pyrophosphokinase 1, SULFATE ION | Authors: | Chen, P, Teng, M, Li, X. | Deposit date: | 2012-05-17 | Release date: | 2013-05-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | A small disturbance, but a serious disease: the possible mechanism of D52H-mutant of human PRS1 that causes gout Iubmb Life, 65, 2013
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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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3JVS
| Characterization of the Chk1 allosteric inhibitor binding site | Descriptor: | 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Chen, P. | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
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3JVR
| Characterization of the Chk1 allosteric inhibitor binding site | Descriptor: | (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1 | Authors: | Chen, P. | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
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5C5X
| CRYSTAL STRUCTURE OF THE S156E MUTANT OF HUMAN AQUAPORIN 5 | Descriptor: | Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine | Authors: | Kitchen, P, Oeberg, F, Sjoehamn, J, Hedfalk, K, Bill, R.M, Conner, A.C, Conner, M.T, Toernroth-Horsefield, S. | Deposit date: | 2015-06-22 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Plasma Membrane Abundance of Human Aquaporin 5 Is Dynamically Regulated by Multiple Pathways. Plos One, 10, 2015
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5DYE
| CRYSTAL STRUCTURE OF THE FULL LENGTH S156E MUTANT OF HUMAN AQUAPORIN 5 | Descriptor: | Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine | Authors: | Kitchen, P, Oeberg, F, Sjoehamn, J, Hedfalk, K, Bill, R.M, Conner, A.C, Conner, M.T, Toernroth-Horsefield, S. | Deposit date: | 2015-09-24 | Release date: | 2015-12-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Plasma Membrane Abundance of Human Aquaporin 5 Is Dynamically Regulated by Multiple Pathways. Plos One, 10, 2015
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1E0Q
| Mutant Peptide from the first N-terminal 17 amino-acid of Ubiquitin | Descriptor: | POLYUBIQUITIN-B | Authors: | Zerella, R, Chen, P.Y, Evans, P.A, Raine, A, Williams, D.H. | Deposit date: | 2000-04-05 | Release date: | 2001-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Characterization of a Mutant Peptide Derived from Ubiquitin: Implications for Protein Folding. Protein Sci., 9, 2000
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1OJ8
| Novel and retro Binding Modes in Cytotoxic Ribonucleases from Rana catesbeiana of Two Crystal Structures Complexed with d(ApCpGpA) and (2',5'CpG) | Descriptor: | 5'-D(*AP*CP*GP*AP)-3', RC-RNASE6 RIBONUCLEASE, SULFATE ION | Authors: | Tsai, C.-J, Liu, J.-H, Liao, Y.-D, Chen, L.-Y, Cheng, P.-T, Sun, Y.-J. | Deposit date: | 2003-07-07 | Release date: | 2004-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Retro and Novel Binding Modes in Cytotoxic Ribonucleases from Rana Catesbeiana of Two Crystal Structures Complexed with (2',5'Cpg) and D(Apcpgpa) To be Published
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1D9X
| CRYSTAL STRUCTURE OF THE DNA REPAIR PROTEIN UVRB | Descriptor: | EXCINUCLEASE UVRABC COMPONENT UVRB, ZINC ION | Authors: | Theis, K, Chen, P.J, Skorvaga, M, Van Houten, B, Kisker, C. | Deposit date: | 1999-10-30 | Release date: | 2000-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of UvrB, a DNA helicase adapted for nucleotide excision repair. EMBO J., 18, 1999
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1D9Z
| CRYSTAL STRUCTURE OF THE DNA REPAIR PROTEIN UVRB IN COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, EXCINUCLEASE UVRABC COMPONENT UVRB, MAGNESIUM ION, ... | Authors: | Theis, K, Chen, P.J, Skorvaga, M, Van Houten, B, Kisker, C. | Deposit date: | 1999-10-30 | Release date: | 2000-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal structure of UvrB, a DNA helicase adapted for nucleotide excision repair. EMBO J., 18, 1999
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7P4N
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1OJ1
| Nonproductive and Novel Binding Modes in Cytotoxic Ribonucleases from Rana catesbeiana of Two Crystal Structures Complexed with (2,5 CpG) and d(ApCpGpA) | Descriptor: | CYTIDYL-2'-5'-PHOSPHO-GUANOSINE, RC-RNASE6 RIBONUCLEASE, SULFATE ION | Authors: | Tsai, C.-J, Liu, J.-H, Liao, Y.-D, Chen, L.-y, Cheng, P.-T, Sun, Y.-J. | Deposit date: | 2003-06-28 | Release date: | 2004-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Nonproductive and Novel Binding Modes in Cytotoxic Ribonucleases from Rana Catesbeiana of Two Crystal Structures Complexed with C(2,5 Cpg) and D(Apcpgpa) To be Published
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6FWN
| Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor | Descriptor: | von Willebrand factor | Authors: | Xu, E.-R, von Buelow, S, Chen, P.-C, Lenting, P.J, Kolsek, K, Aponte-Santamaria, C, Simon, B, Foot, J, Obser, T, Graeter, F, Schneppenheim, R, Denis, C.V, Wilmanns, M, Hennig, J. | Deposit date: | 2018-03-06 | Release date: | 2018-10-24 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor. Blood, 133, 2019
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6WTE
| Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound | Descriptor: | 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ... | Authors: | Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J. | Deposit date: | 2020-05-02 | Release date: | 2020-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural basis for non-radical catalysis by TsrM, a radical SAM methylase. Nat.Chem.Biol., 17, 2021
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6WTF
| Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound | Descriptor: | COBALAMIN, IRON/SULFUR CLUSTER, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, ... | Authors: | Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J. | Deposit date: | 2020-05-02 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis for non-radical catalysis by TsrM, a radical SAM methylase. Nat.Chem.Biol., 17, 2021
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6Z14
| Structure of Bifidobacterium bifidum GH20 beta-N-beta-N-acetylhexosaminidase E553Q variant in complex with 4MU-6SGlcNAc-derived oxazoline | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylhexosaminidase, NITRATE ION, ... | Authors: | He, Y, Jin, Y, Rizkallah, P, Chen, P. | Deposit date: | 2020-05-12 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure and activity of the GH20 beta-N-beta-N-acetylhexosaminidase from Bifidobacterium bifidum To Be Published
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1GAR
| TOWARDS STRUCTURE-BASED DRUG DESIGN: CRYSTAL STRUCTURE OF A MULTISUBSTRATE ADDUCT COMPLEX OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE AT 1.96 ANGSTROMS RESOLUTION | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID | Authors: | Wilson, I.A, Klein, C, Chen, P, Arevalo, J.H. | Deposit date: | 1994-12-08 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Towards structure-based drug design: crystal structure of a multisubstrate adduct complex of glycinamide ribonucleotide transformylase at 1.96 A resolution. J.Mol.Biol., 249, 1995
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7MLK
| Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | Descriptor: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | Deposit date: | 2021-04-28 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity To Be Published
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1MJE
| STRUCTURE OF A BRCA2-DSS1-SSDNA COMPLEX | Descriptor: | 5'-D(P*TP*TP*TP*TP*TP*T)-3', Deleted in split hand/split foot protein 1, breast cancer 2 | Authors: | Yang, H, Jeffrey, P.D, Miller, J, Kinnucan, E, Sun, Y, Thoma, N.H, Zheng, N, Chen, P.L, Lee, W.H, Pavletich, N.P. | Deposit date: | 2002-08-27 | Release date: | 2002-09-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure. Science, 297, 2002
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1MIU
| Structure of a BRCA2-DSS1 complex | Descriptor: | Breast Cancer type 2 susceptibility protein, Deleted in split hand/split foot protein 1, MERCURY (II) ION | Authors: | Yang, H, Jeffrey, P.D, Miller, J, Kinnucan, E, Sun, Y, Thoma, N.H, Zheng, N, Chen, P.L, Lee, W.H, Pavletich, N.P. | Deposit date: | 2002-08-23 | Release date: | 2002-09-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA
structure Science, 297, 2002
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4RVR
| Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801 | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-11-27 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
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4A7X
| Crystal structure of uridylate kinase from Helicobacter pylori | Descriptor: | URIDINE-5'-DIPHOSPHATE, URIDYLATE KINASE | Authors: | Chu, C.H, Liu, M.H, Chen, P.C, Sun, Y.J. | Deposit date: | 2011-11-15 | Release date: | 2012-06-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structures of Helicobacter Pylori Uridylate Kinase: Insight Into Release of the Product Udp Acta Crystallogr.,Sect.D, 68, 2012
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4A7W
| Crystal structure of uridylate kinase from Helicobacter pylori | Descriptor: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, URIDYLATE KINASE | Authors: | Chu, C.H, Chen, P.C, Liu, M.H, Sun, Y.J. | Deposit date: | 2011-11-15 | Release date: | 2012-06-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Helicobacter Pylori Uridylate Kinase: Insight Into Release of the Product Udp Acta Crystallogr.,Sect.D, 68, 2012
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