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6ASC
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BU of 6asc by Molmil
Mre11 dimer in complex with Endonuclease inhibitor PFM04
分子名称: (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ...
著者Moiani, D, Arvai, A.S, Tainer, J.A.
登録日2017-08-24
公開日2018-03-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Meth. Enzymol., 601, 2018
1G5B
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BU of 1g5b by Molmil
BACTERIOPHAGE LAMBDA SER/THR PROTEIN PHOSPHATASE
分子名称: MANGANESE (II) ION, MERCURY (II) ION, SERINE/THREONINE PROTEIN PHOSPHATASE, ...
著者Voegtli, W.C, White, D.J, Reiter, N.J, Rusnak, F, Rosenzweig, A.C.
登録日2000-10-31
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the bacteriophage lambda Ser/Thr protein phosphatase with sulfate ion bound in two coordination modes.
Biochemistry, 39, 2000
6Z9B
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BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N, Scaletti, E.
登録日2020-06-03
公開日2020-07-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
7TVF
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BU of 7tvf by Molmil
Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom
分子名称: CHLORIDE ION, GLYCEROL, Leucine-rich repeat protein SHOC-2, ...
著者Bonsor, D.A, Simanshu, D.K.
登録日2022-02-04
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure of the SHOC2-MRAS-PP1C complex provides insights into RAF activation and Noonan syndrome.
Nat.Struct.Mol.Biol., 29, 2022
5K77
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BU of 5k77 by Molmil
Dbr1 in complex with 7-mer branched RNA
分子名称: FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ...
著者Clark, N.E, Taylor, A.B, Hart, P.J.
登録日2016-05-25
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Metal dependence and branched RNA cocrystal structures of the RNA lariat debranching enzyme Dbr1.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7D0V
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BU of 7d0v by Molmil
Crystal structure of Taiwan cobra 5'-nucleotidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Snake venom 5'-nucleotidase, ...
著者Tsai, M.-H, Lin, I.-J, Lin, C.-C, Wu, W.-G.
登録日2020-09-12
公開日2021-09-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.175 Å)
主引用文献Crystal structure of Taiwan cobra 5'-nucleotidase
To Be Published
4UT3
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BU of 4ut3 by Molmil
X-ray structure of the human PP1 gamma catalytic subunit treated with hydrogen peroxide
分子名称: MANGANESE (II) ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
著者Zeh Silva, M, Kopec, J, Fotinou, D, Steiner, R.A.
登録日2014-07-17
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Targeted Redox Inhibition of Protein Phosphatase 1 by Nox4 Regulates Eif2Alpha-Mediated Stress Signaling.
Embo J., 35, 2016
4MOY
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BU of 4moy by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 1
分子名称: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Choy, M.S, Hieke, M, Peti, W, Page, R.
登録日2013-09-12
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1953 Å)
主引用文献Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
6NVO
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BU of 6nvo by Molmil
Crystal structure of Pseudomonas putida nuclease MPE
分子名称: MANGANESE (II) ION, Nuclease MPE
著者Goldgur, Y, Shuman, S, Ejaz, A.
登録日2019-02-05
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Activity and structure ofPseudomonas putidaMPE, a manganese-dependent single-strand DNA endonuclease encoded in a nucleic acid repair gene cluster.
J.Biol.Chem., 294, 2019
6PY9
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BU of 6py9 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine diphosphate metavanadate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ...
著者Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
登録日2019-07-29
公開日2020-04-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
1II7
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BU of 1ii7 by Molmil
Crystal structure of P. furiosus Mre11 with manganese and dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Mre11 nuclease, ...
著者Hopfner, K.-P, Karcher, A, Craig, L, Woo, T.T, Carney, J.P, Tainer, J.A.
登録日2001-04-20
公開日2001-05-30
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural biochemistry and interaction architecture of the DNA double-strand break repair Mre11 nuclease and Rad50-ATPase.
Cell(Cambridge,Mass.), 105, 2001
9ENG
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BU of 9eng by Molmil
Structure of K.pneumoniae LpxH in complex with EBL-3218
分子名称: MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-3-(methylsulfonylamino)benzamide
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2024-03-12
公開日2024-09-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors.
Eur.J.Med.Chem., 278, 2024
2ZO9
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BU of 2zo9 by Molmil
Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal ion preference
分子名称: FE (II) ION, MALONATE ION, Phosphohydrolase
著者Jackson, C.J, Carr, P.D, Ollis, D.L.
登録日2008-05-07
公開日2008-10-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Acta Crystallogr.,Sect.F, 64, 2008
6OFD
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BU of 6ofd by Molmil
The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W.
登録日2019-03-29
公開日2019-09-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
4H1S
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BU of 4h1s by Molmil
Crystal Structure of a Truncated Soluble form of Human CD73 with Ecto-5'-Nucleotidase activity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, PHOSPHATE ION, ...
著者Heuts, D.P, Weissenborn, M.J, Olkhov, R.V, Shaw, A.M, Levy, C.W, Scrutton, N.S.
登録日2012-09-11
公開日2012-10-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a soluble form of human CD73 with ecto-5'-nucleotidase activity.
Chembiochem, 13, 2012
3HVQ
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BU of 3hvq by Molmil
Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Neurabin
分子名称: GLYCEROL, MANGANESE (II) ION, Neurabin-1, ...
著者Critton, D.A, Ragusa, M.J, Page, R, Peti, W.
登録日2009-06-16
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Spinophilin directs protein phosphatase 1 specificity by blocking substrate binding sites.
Nat.Struct.Mol.Biol., 17, 2010
1QHW
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BU of 1qhw by Molmil
PURPLE ACID PHOSPHATASE FROM RAT BONE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PROTEIN (PURPLE ACID PHOSPHATASE), ...
著者Lindqvist, Y, Johansson, E, Kaija, H, Vihko, P, Schneider, G.
登録日1999-03-26
公開日1999-09-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structure of a mammalian purple acid phosphatase at 2.2 A resolution with a mu-(hydr)oxo bridged di-iron center.
J.Mol.Biol., 291, 1999
2Q8U
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BU of 2q8u by Molmil
CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION
分子名称: Exonuclease, putative
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-11
公開日2007-06-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair.
J.Mol.Biol., 397, 2010
3DSD
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BU of 3dsd by Molmil
Crystal structure of P. furiosus Mre11-H85S bound to a branched DNA and manganese
分子名称: DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DAP*DCP*DAP*DAP*DGP*DCP*DTP*DTP*DTP*DTP*DGP*DCP*DTP*DTP*DGP*DTP*DGP*DGP*DAP*DTP*DA)-3'), DNA double-strand break repair protein mre11, MANGANESE (II) ION
著者Williams, R.S, Moiani, D, Tainer, J.A.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mre11 dimers coordinate DNA end bridging and nuclease processing in double-strand-break repair.
Cell(Cambridge,Mass.), 135, 2008
2QFP
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BU of 2qfp by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with fluoride
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, FLUORIDE ION, ...
著者Guddat, L.W, Schenk, G.S, Gahan, L.R, Elliot, T.W, Leung, E.
登録日2007-06-27
公開日2008-10-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle.
Bmc Struct.Biol., 8, 2008
4FBW
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BU of 4fbw by Molmil
Crystal structure of an unfused Mre11-Nbs1 complex with two manganese ions per active site
分子名称: DNA repair and telomere maintenance protein nbs1, DNA repair protein rad32, MANGANESE (II) ION
著者Schiller, C.B, Lammens, K, Hopfner, K.P.
登録日2012-05-23
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling.
Nat.Struct.Mol.Biol., 19, 2012
2BQ8
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BU of 2bq8 by Molmil
Crystal structure of human purple acid phosphatase with an inhibitory conformation of the repression loop
分子名称: FE (II) ION, SULFATE ION, TARTRATE-RESISTANT ACID PHOSPHATASE TYPE 5, ...
著者Straeter, N, Jasper, B, Krebs, B.
登録日2005-04-27
公開日2005-10-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Recombinant Human Purple Acid Phosphatase with and without an Inhibitory Conformation of the Repression Loop.
J.Mol.Biol., 351, 2005
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
6ALZ
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BU of 6alz by Molmil
Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin
分子名称: (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, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2017-08-08
公開日2017-11-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors.
J. Am. Chem. Soc., 139, 2017
2USH
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BU of 2ush by Molmil
5'-NUCLEOTIDASE FROM E. COLI
分子名称: 5'-NUCLEOTIDASE, TUNGSTATE(VI)ION, ZINC ION
著者Knofel, T, Strater, N.
登録日1998-09-24
公開日1999-06-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献X-ray structure of the Escherichia coli periplasmic 5'-nucleotidase containing a dimetal catalytic site.
Nat.Struct.Biol., 6, 1999

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