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3QFK
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BU of 3qfk by Molmil
2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Wawrzak, Z, Krishna, S.N, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-21
Release date:2011-02-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate.
TO BE PUBLISHED
6S7F
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BU of 6s7f by Molmil
Human CD73 (5'-nucleotidase) in complex with PSB12379 (an AOPCP derivative) in the closed state
Descriptor: 5'-nucleotidase, CALCIUM ION, N6-benzyl-(alpha,beta)-methylene-ADP, ...
Authors:Pippel, J, Strater, N.
Deposit date:2019-07-04
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019
2HYP
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BU of 2hyp by Molmil
Crystal structure of Rv0805 D66A mutant
Descriptor: BROMIDE ION, CACODYLATE ION, FE (III) ION, ...
Authors:Shenoy, A.R, Capuder, M, Draskovic, P, Lamba, D, Visweswariah, S.S, Podobnik, M.
Deposit date:2006-08-07
Release date:2006-12-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
J.Mol.Biol., 365, 2007
5K73
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BU of 5k73 by Molmil
as-isolated Dbr1 with Fe(II) and Zn(II)
Descriptor: FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ...
Authors:Clark, N.E, Taylor, A.B, Hart, P.J.
Deposit date:2016-05-25
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
6XUG
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BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
3V4Y
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BU of 3v4y by Molmil
Crystal Structure of the first Nuclear PP1 holoenzyme
Descriptor: GLYCEROL, MANGANESE (II) ION, Nuclear inhibitor of protein phosphatase 1, ...
Authors:Page, R, Peti, W, O'Connell, N.E, Nichols, S.
Deposit date:2011-12-15
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:The Molecular Basis for Substrate Specificity of the Nuclear NIPP1:PP1 Holoenzyme.
Structure, 20, 2012
8PQ7
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BU of 8pq7 by Molmil
The Potato Late Blight pathogen (Phytophthora infestans) effector protein Pi04134 in complex with potato protein phosphatase type 1c (PP1c).
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, RxLR effector protein PexRD24, ...
Authors:Bentham, A.R, Banfield, M.J.
Deposit date:2023-07-10
Release date:2023-07-19
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The WY Domain of an RxLr Effector Drives Interactions with a Host Target Phosphatase to Mimic Host Regulatory Proteins and Promote Phytophthora infestans Infection.
Mol.Plant Microbe Interact., 37, 2024
4O4K
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BU of 4o4k by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
Descriptor: (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, Exonuclease, putative, ...
Authors:Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
Deposit date:2013-12-18
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
3H69
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BU of 3h69 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms complexed with endothall
Descriptor: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
Deposit date:2009-04-23
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
7OV2
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BU of 7ov2 by Molmil
Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ...
Authors:Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2021-06-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
1AUI
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BU of 1aui by Molmil
HUMAN CALCINEURIN HETERODIMER
Descriptor: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
Authors:Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E.
Deposit date:1997-08-27
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
4PEH
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BU of 4peh by Molmil
Dbr1 in complex with synthetic linear RNA
Descriptor: GLYCEROL, MANGANESE (II) ION, RNA (5'-R(*CP*UP*AP*(A2P)P*AP*CP*AP*A)-3'), ...
Authors:Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J.
Deposit date:2014-04-23
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
8DZK
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BU of 8dzk by Molmil
Dbr1 in complex with 5-mer cleavage product
Descriptor: FE (II) ION, RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3'), RNA lariat debranching enzyme, ...
Authors:Clark, N.E, Taylor, A.B.
Deposit date:2022-08-08
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product.
Biochemistry, 61, 2022
1OI8
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BU of 1oi8 by Molmil
5'-Nucleotidase (E. coli) with an Engineered Disulfide Bridge (P90C, L424C)
Descriptor: CARBONATE ION, MANGANESE (II) ION, PROTEIN USHA, ...
Authors:Schultz-Heienbrok, R, Maier, T, Straeter, N.
Deposit date:2003-06-10
Release date:2004-06-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trapping a 96 Degree Domain Rotation in Two Distinct Conformations by Engineered Disulfide Bridges
Protein Sci., 13, 2004
1HO5
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BU of 1ho5 by Molmil
5'-NUCLEOTIDASE (E. COLI) IN COMPLEX WITH ADENOSINE AND PHOSPHATE
Descriptor: 5'-NUCLEOTIDASE, ADENOSINE, MANGANESE (II) ION, ...
Authors:Knoefel, T, Straeter, N.
Deposit date:2000-12-08
Release date:2002-03-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
2BCD
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BU of 2bcd by Molmil
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
6G0J
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BU of 6g0j by Molmil
Inactive Fe-PP1
Descriptor: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Salvi, F, Barabas, O, Koehn, M.
Deposit date:2018-03-18
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018
1FJM
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BU of 1fjm by Molmil
Protein serine/threonine phosphatase-1 (alpha isoform, type 1) complexed with microcystin-LR toxin
Descriptor: BETA-MERCAPTOETHANOL, MANGANESE (II) ION, PROTEIN SERINE/THREONINE PHOSPHATASE-1 (ALPHA ISOFORM, ...
Authors:Goldberg, J, Nairn, A.C, Kuriyan, J.
Deposit date:1995-12-17
Release date:1996-06-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of the catalytic subunit of protein serine/threonine phosphatase-1.
Nature, 376, 1995
1OID
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BU of 1oid by Molmil
5'-Nucleotidase (E. coli) with an Engineered Disulfide Bridge (S228C, P513C)
Descriptor: NICKEL (II) ION, PROTEIN USHA
Authors:Schultz-Heienbrok, R, Maier, T, Straeter, N.
Deposit date:2003-06-13
Release date:2004-06-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trapping a 96 Degree Domain Rotation in Two Distinct Conformations by Engineered Disulfide Bridges
Protein Sci., 13, 2004
1T71
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BU of 1t71 by Molmil
Crystal structure of a novel phosphatase Mycoplasma pneumoniaefrom
Descriptor: FE (III) ION, phosphatase
Authors:Shin, D.H, Jancarik, J, Kim, R, Yokota, H, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2004-05-07
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a novel phosphatase from Mycoplasma pneumoniae
To be Published
4MP0
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BU of 4mp0 by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 2
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Hieke, M, Peti, W, Page, R.
Deposit date:2013-09-12
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1003 Å)
Cite:Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
5JJT
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BU of 5jjt by Molmil
Crystal structure of a type 5 serine/threonine protein phosphatase from Arabidopsis thaliana
Descriptor: NICKEL (II) ION, Serine/threonine-protein phosphatase 5
Authors:Li, H.M, Pu, H.
Deposit date:2016-04-25
Release date:2017-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Crystal structure of a type 5 serine/threonine protein phosphatase from Arabidopsis thaliana
To Be Published
6ASC
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BU of 6asc by Molmil
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
6GHM
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BU of 6ghm by Molmil
Structure of PP1 alpha phosphatase bound to ASPP2
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Apoptosis-stimulating of p53 protein 2, ...
Authors:Mouilleron, S, Bertran, T.M, Tapon, N, Zhou, Y.
Deposit date:2018-05-08
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:ASPP proteins discriminate between PP1 catalytic subunits through their SH3 domain and the PP1 C-tail.
Nat Commun, 10, 2019
1G5B
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BU of 1g5b by Molmil
BACTERIOPHAGE LAMBDA SER/THR PROTEIN PHOSPHATASE
Descriptor: MANGANESE (II) ION, MERCURY (II) ION, SERINE/THREONINE PROTEIN PHOSPHATASE, ...
Authors:Voegtli, W.C, White, D.J, Reiter, N.J, Rusnak, F, Rosenzweig, A.C.
Deposit date:2000-10-31
Release date:2001-03-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the bacteriophage lambda Ser/Thr protein phosphatase with sulfate ion bound in two coordination modes.
Biochemistry, 39, 2000

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