7CI1
 
 | | Crystal structure of AcrVA2 | | Descriptor: | 1,2-ETHANEDIOL, AcrVA2, SPERMIDINE | | Authors: | Chen, P, Cheng, Z, Wang, Y. | | Deposit date: | 2020-07-07 | | Release date: | 2020-10-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Study on Anti-CRISPR Protein AcrVA2
Prog.Biochem.Biophys., 2021
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3S5J
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7CI2
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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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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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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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7P4N
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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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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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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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7BZG
 | | Structure of Bacillus subtilis HxlR, wild type in complex with formaldehyde and DNA | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*GP*TP*AP*TP*CP*CP*TP*CP*GP*AP*GP*GP*AP*TP*AP*CP*TP*G)-3'), ... | | Authors: | Zhu, R, Chen, P.R. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
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7BZE
 | | Structure of Bacillus subtilis HxlR, K13A mutant | | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional activator HxlR | | Authors: | Zhu, R, Chen, P.R. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.658 Å) | | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
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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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7BZD
 | | Structure of Bacillus subtilis HxlR, wild type | | Descriptor: | HTH-type transcriptional activator HxlR | | Authors: | Zhu, R, Chen, P.R. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
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6AEZ
 | | Crystal structure of human CCL5 trimer | | Descriptor: | C-C motif chemokine 5, SULFATE ION | | Authors: | Chen, Y.C, Li, K.M, Chen, P.J, Zarivach, R, Sun, Y.J, Sue, S.C. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Integrative Model to Coordinate the Oligomerization and Aggregation Mechanisms of CCL5.
J.Mol.Biol., 432, 2020
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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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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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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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5YI3
 | | Structure of Lactococcus lactis ZitR, C30S mutant in complex with DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator | | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | | Deposit date: | 2017-10-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
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5YI2
 | | Structure of Lactococcus lactis ZitR, wild type in complex with DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator | | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | | Deposit date: | 2017-10-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
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5EXD
 | | Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-di-oxido-methyl-TPP (COOM-TPP) intermediate | | Descriptor: | IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ... | | Authors: | Gibson, M.I, Chen, P.Y.-T, Drennan, C.L. | | Deposit date: | 2015-11-23 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5EXE
 | | Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-TPP adduct | | Descriptor: | IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ... | | Authors: | Gibson, M.I, Chen, P.Y.-T, Drennan, C.L. | | Deposit date: | 2015-11-23 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5YLF
 | | MCR-1 complex with D-glucose | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-D-glucopyranose | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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5YLC
 | | Crystal Structure of MCR-1 Catalytic Domain | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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