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4FBK
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BU of 4fbk by Molmil
Crystal structure of a covalently fused Nbs1-Mre11 complex with one manganese ion per active site
分子名称: DNA repair and telomere maintenance protein nbs1,DNA repair protein rad32 CHIMERIC PROTEIN, MANGANESE (II) ION, SULFATE 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 (2.379 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
8SW5
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BU of 8sw5 by Molmil
Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 1
分子名称: MANGANESE (II) ION, PHOSPHATE ION, PP1-specific Phosphatase-Targeting Peptide version 1, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2023-05-17
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献A Protein Phosphatase 1 specific phosphatase targeting peptide (PhosTAP) to identify the PP1 phosphatome
To Be Published
5JPF
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BU of 5jpf by Molmil
Serine/Threonine phosphatase Z1 (Candida albicans) binds to inhibitor microcystin-LR
分子名称: MALONATE ION, MANGANESE (II) ION, Microcystin-LR, ...
著者Choy, M.S, Chen, E.H, Peti, W, Page, R.
登録日2016-05-03
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.39929724 Å)
主引用文献Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Mbio, 7, 2016
6G46
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BU of 6g46 by Molmil
Red kidney bean purple acid phosphatase in complex with 2-(Naphthalen-1-yl)thiazole-4-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid, ...
著者Feder, D.F.
登録日2018-03-26
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics.
Eur J Med Chem, 157, 2018
2QFR
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BU of 2qfr by Molmil
Crystal structure of red kidney bean purple acid phosphatase with bound sulfate
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
著者Guddat, L.W, Schenk, G, 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2023-08-30
実験手法X-RAY DIFFRACTION (2.4 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
4O43
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BU of 4o43 by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者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.
登録日2013-12-18
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
1S3L
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BU of 1s3l by Molmil
Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase
分子名称: Hypothetical protein MJ0936, PHOSPHATE ION, UNKNOWN ATOM OR ION
著者Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2004-01-13
公開日2004-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
2ZOA
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BU of 2zoa by Molmil
Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) COLLECTED AT 1.280 ANGSTROM
分子名称: FE (II) ION, MALONATE ION, Phosphohydrolase
著者Ollis, D.L, Jackson, C.J, Carr, P.D.
登録日2008-05-07
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 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
1XM7
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BU of 1xm7 by Molmil
The Crystal Structure of the Protein of Unknown Function AQ665 from Aquifex aeolicus
分子名称: hypothetical protein aq_1665
著者Zhang, R, Zhou, M, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-10-01
公開日2004-11-16
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of the hypothetical protein aq_1665 from Aquifex aeolicus
To be Published
3JYF
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BU of 3jyf by Molmil
The crystal structure of a 2,3-cyclic nucleotide 2-phosphodiesterase/3-nucleotidase bifunctional periplasmic precursor protein from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
分子名称: 2',3'-cyclic nucleotide 2'-phosphodiesterase/3'-nucleotidase bifunctional periplasmic protein, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Fan, Y, Volkart, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-09-21
公開日2009-09-29
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The crystal structure of a 2,3-cyclic nucleotide 2-phosphodiesterase/3-nucleotidase bifunctional periplasmic precursor protein from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
To be Published
4I5L
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BU of 4i5l by Molmil
Structural mechanism of trimeric PP2A holoenzyme involving PR70: insight for Cdc6 dephosphorylation
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ...
著者Wlodarchak, N, Satyshur, K.A, Guo, F, Xing, Y.
登録日2012-11-28
公開日2013-05-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of the Ca(2+)-dependent PP2A heterotrimer and insights into Cdc6 dephosphorylation.
Cell Res., 23, 2013
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Scaletti, E, Strater, N.
登録日2020-03-23
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
7JV8
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BU of 7jv8 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
分子名称: 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, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
1TCO
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BU of 1tco by Molmil
TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS)
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, FE (III) ION, ...
著者Griffith, J.P, Kim, J.L, Kim, E.E, Sintchak, M.D, Thomson, J.A, Fitzgibbon, M.J, Fleming, M.A, Caron, P.R, Hsiao, K, Navia, M.A.
登録日1996-08-21
公開日1997-02-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex.
Cell(Cambridge,Mass.), 82, 1995
6TZ7
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BU of 6tz7 by Molmil
Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
著者Fox III, D, Horanyi, P.S.
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
8DWK
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BU of 8dwk by Molmil
Inhibitor-3:PP1 reconstituted complex
分子名称: E3 ubiquitin-protein ligase PPP1R11, MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
著者Choy, M.S, Srivastava, G, Page, R, Peti, W.
登録日2022-08-01
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction.
Nat Commun, 14, 2023
6TW0
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BU of 6tw0 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Pippel, J, Strater, N.
登録日2020-01-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6UNC
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BU of 6unc by Molmil
The crystal structure of Phosphopantetheinyl Hydrolase (PptH) from Mycobacterium tuberculosis
分子名称: FE (III) ION, MANGANESE (II) ION, Metallophos domain-containing protein
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-10-11
公開日2020-04-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into phosphopantetheinyl hydrolase PptH from Mycobacterium tuberculosis.
Protein Sci., 29, 2020
6TWF
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BU of 6twf by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Pippel, J, Strater, N.
登録日2020-01-13
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
5IHE
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BU of 5ihe by Molmil
D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease)
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ACETATE ION, ...
著者Sauguet, L, Raia, P, De Larue, M.
登録日2016-02-29
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
4FBQ
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BU of 4fbq by Molmil
Crystal structure of a covalently fused Nbs1-Mre11 complex with two manganese ions per active site
分子名称: DNA repair and telomere maintenance protein nbs1,DNA repair protein rad32 CHIMERIC PROTEIN, 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 (2.5 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
5I85
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BU of 5i85 by Molmil
aSMase with zinc and phosphocholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHOCHOLINE, ...
著者Zhou, Y.F, Wei, R.R.
登録日2016-02-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human acid sphingomyelinase structures provide insight to molecular basis of Niemann-Pick disease.
Nat Commun, 7, 2016
1S3N
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BU of 1s3n by Molmil
Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase
分子名称: Hypothetical protein MJ0936, MANGANESE (II) ION
著者Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2004-01-13
公開日2004-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
1S3M
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BU of 1s3m by Molmil
Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase
分子名称: Hypothetical protein MJ0936, NICKEL (II) ION
著者Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2004-01-13
公開日2004-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
1XZW
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BU of 1xzw by Molmil
Sweet potato purple acid phosphatase/phosphate complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
著者Schenk, G, Carrington, L.E, Gahan, L.R, Hamilton, S.E, de Jersey, J, Guddat, L.W.
登録日2004-11-12
公開日2004-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phosphate forms an unusual tripodal complex with the Fe-Mn center of sweet potato purple acid phosphatase
Proc.Natl.Acad.Sci.USA, 102, 2005

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