7JV8
 
 | | Human CD73 (ecto 5'-nucleotidase) in complex with compound 35 | | Descriptor: | 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ... | | Authors: | Gibbons, P, Du, X. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
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7OBE
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1OID
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7BBJ
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5ZT0
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5ZQV
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3ZK4
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6ALZ
 | | Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin | | Descriptor: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2017-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.208 Å) | | Cite: | PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors.
J. Am. Chem. Soc., 139, 2017
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6ASC
 | | Mre11 dimer in complex with Endonuclease inhibitor PFM04 | | Descriptor: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ... | | Authors: | Moiani, D, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2017-08-24 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Meth. Enzymol., 601, 2018
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2BDX
 | | X-ray Crystal Structure of dihydromicrocystin-LA bound to Protein Phosphatase-1 | | Descriptor: | DIHYDROMICROCYSTIN-LA, MANGANESE (II) ION, Serine/threonine protein phosphatase PP1-gamma catalytic subunit | | Authors: | Maynes, J.T, Luu, H.A, Cherney, M.M, Andersen, R.J, Williams, D, Holmes, C.F, James, M.N. | | Deposit date: | 2005-10-21 | | Release date: | 2006-01-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Protein Phosphatase-1 Bound to Motuporin and Dihydromicrocystin-LA: Elucidation of the Mechanism of Enzyme Inhibition by Cyanobacterial Toxins.
J.Mol.Biol., 356, 2006
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7DOG
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3ZTV
 | | Structure of Haemophilus influenzae NAD nucleotidase (NadN) | | Descriptor: | ADENOSINE, GLYCEROL, NAD NUCLEOTIDASE, ... | | Authors: | Garavaglia, S, Bruzzone, S, Cassani, C, Canella, L, Allegrone, G, Sturla, L, Mannino, E, Millo, E, De Flora, A, Rizzi, M. | | Deposit date: | 2011-07-12 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The High-Resolution Crystal Structure of Periplasmic Haemophilus Influenzae Nad Nucleotidase Reveals a Novel Enzymatic Function of Human Cd73 Related to Nad Metabolism.
Biochem.J., 441, 2012
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3ZU0
 | | Structure of Haemophilus influenzae NAD nucleotidase (NadN) | | Descriptor: | NAD NUCLEOTIDASE, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | Garavaglia, S, Bruzzone, S, Cassani, C, Canella, L, Allegrone, G, Sturla, L, Mannino, E, Millo, E, De Flora, A, Rizzi, M. | | Deposit date: | 2011-07-13 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The High-Resolution Crystal Structure of Periplasmic Haemophilus Influenzae Nad Nucleotidase Reveals a Novel Enzymatic Function of Human Cd73 Related to Nad Metabolism.
Biochem.J., 441, 2012
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7D0V
 | | Crystal structure of Taiwan cobra 5'-nucleotidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Snake venom 5'-nucleotidase, ... | | Authors: | Tsai, M.-H, Lin, I.-J, Lin, C.-C, Wu, W.-G. | | Deposit date: | 2020-09-12 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.175 Å) | | Cite: | Crystal structure of Taiwan cobra 5'-nucleotidase
To Be Published
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7YZP
 | | Hairpin-bound state of the E. coli Mre11-Rad50 (SbcCD) head complex bound to ADP and a DNA hairpin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA hairpin (59-MER), MAGNESIUM ION, ... | | Authors: | Gut, F, Kaeshammer, L, Lammens, K, Bartho, J, van de Logt, E, Kessler, B, Hopfner, K.P. | | Deposit date: | 2022-02-21 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural mechanism of endonucleolytic processing of blocked DNA ends and hairpins by Mre11-Rad50.
Mol.Cell, 82, 2022
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7Z03
 | | Endonuclease state of the E. coli Mre11-Rad50 (SbcCD) head complex bound to ADP and extended dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (39-MER), MAGNESIUM ION, ... | | Authors: | Gut, F, Kaeshammer, L, Lammens, K, Bartho, J, van de Logt, E, Kessler, B, Hopfner, K.P. | | Deposit date: | 2022-02-21 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural mechanism of endonucleolytic processing of blocked DNA ends and hairpins by Mre11-Rad50.
Mol.Cell, 82, 2022
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7YZO
 | | Endonuclease state of the E. coli Mre11-Rad50 (SbcCD) head complex bound to ADP and dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (31-MER), MAGNESIUM ION, ... | | Authors: | Gut, F, Kaeshammer, L, Lammens, K, Bartho, J, van de Logt, E, Kessler, B, Hopfner, K.P. | | Deposit date: | 2022-02-21 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural mechanism of endonucleolytic processing of blocked DNA ends and hairpins by Mre11-Rad50.
Mol.Cell, 82, 2022
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7CUN
 | | The structure of human Integrator-PP2A complex | | Descriptor: | Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ... | | Authors: | Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y. | | Deposit date: | 2020-08-23 | | Release date: | 2020-11-25 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase.
Science, 370, 2020
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2BCD
 | | X-ray crystal structure of Protein Phosphatase-1 with the marine toxin motuporin bound | | Descriptor: | BETA-MERCAPTOETHANOL, MANGANESE (II) ION, MOTUPORIN, ... | | Authors: | Maynes, J.T, Luu, H.A, Cherney, M.M, Andersen, R.J, Williams, D, Holmes, C.F, James, M.N. | | Deposit date: | 2005-10-19 | | Release date: | 2006-01-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Protein Phosphatase-1 Bound to Motuporin and Dihydromicrocystin-LA: Elucidation of the Mechanism of Enzyme Inhibition by Cyanobacterial Toxins.
J.Mol.Biol., 356, 2006
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3THN
 | | Crystal structure of Mre11 core with manganese | | Descriptor: | Exonuclease, putative, MANGANESE (II) ION, ... | | Authors: | Moeckel, C, Lammens, K. | | Deposit date: | 2011-08-19 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.811 Å) | | Cite: | ATP driven structural changes of the bacterial Mre11:Rad50 catalytic head complex.
Nucleic Acids Res., 40, 2012
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6NTS
 | | Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP) | | Descriptor: | MANGANESE (II) ION, N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform, ... | | Authors: | Huang, W, Taylor, D. | | Deposit date: | 2019-01-30 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Selective PP2A Enhancement through Biased Heterotrimer Stabilization.
Cell, 181, 2020
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4WWL
 | | E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form) | | Descriptor: | CARBONATE ION, GLYCEROL, Protein UshA, ... | | Authors: | Krug, U, Paithankar, K.S, Schultz-Heienbrok, R, Strater, N. | | Deposit date: | 2014-11-11 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form)
To Be Published
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3KBP
 | | KIDNEY BEAN PURPLE ACID PHOSPHATASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PURPLE ACID PHOSPHATASE, ... | | Authors: | Klabunde, T, Strater, N, Krebs, B. | | Deposit date: | 1995-10-02 | | Release date: | 1996-12-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mechanism of Fe(III)-Zn(II) purple acid phosphatase based on crystal structures.
J.Mol.Biol., 259, 1996
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4XPN
 | | Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GADD34 | | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2015-01-17 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Structural and Functional Analysis of the GADD34:PP1 eIF2 alpha Phosphatase.
Cell Rep, 11, 2015
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6NUU
 | | Structure of Calcineurin mutant in complex with NHE1 peptide | | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, X, Page, R, Peti, W. | | Deposit date: | 2019-02-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
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