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4PEF
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BU of 4pef by Molmil
Dbr1 in complex with sulfate
分子名称: GLYCEROL, MANGANESE (II) ION, RNA lariat debranching enzyme, ...
著者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.
登録日2014-04-23
公開日2014-08-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
6OBP
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BU of 6obp by Molmil
Reconstituted PP1 holoenzyme
分子名称: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OBS
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BU of 6obs by Molmil
PP1 Y134K
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OBR
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BU of 6obr by Molmil
PP1 Y134A in complex with Microcystin LR
分子名称: CHLORIDE ION, MANGANESE (II) ION, Microcystin LR, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NUU
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BU of 6nuu by Molmil
Structure of Calcineurin mutant in complex with NHE1 peptide
分子名称: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, X, Page, R, Peti, W.
登録日2019-02-02
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
6OF5
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BU of 6of5 by Molmil
The crystal structure of dodecyloxy(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, FE (III) ION, ...
著者Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P.
登録日2019-03-28
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 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
6NUC
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BU of 6nuc by Molmil
Structure of Calcineurin in complex with NHE1 peptide
分子名称: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, X, Page, R, Peti, W.
登録日2019-01-31
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
4PEI
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BU of 4pei by Molmil
Dbr1 in complex with synthetic branched RNA analog
分子名称: GLYCEROL, NICKEL (II) ION, RNA (5'-R(*(G46)P*U)-3'), ...
著者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.
登録日2014-04-23
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
4PEG
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BU of 4peg by Molmil
Dbr1 in complex with guanosine-5'-monophosphate
分子名称: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
著者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.
登録日2014-04-23
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
6OBN
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BU of 6obn by Molmil
The crystal structure of coexpressed SDS22:PP1 complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OBU
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BU of 6obu by Molmil
PP1 Y134K in complex with Microcystin LR
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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2023-10-11
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
4OR9
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BU of 4or9 by Molmil
Crystal structure of human calcineurin
分子名称: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ...
著者Li, S.J, Wang, J, Wu, J.W, Wang, Z.X.
登録日2014-02-11
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
4Q7F
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BU of 4q7f by Molmil
1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine.
分子名称: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5' nucleotidase family protein, MAGNESIUM ION, ...
著者Minasov, G, Nocadello, S, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-04-24
公開日2014-05-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine.
TO BE PUBLISHED
4MP0
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BU of 4mp0 by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 2
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE 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 (2.1003 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
3H61
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BU of 3h61 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with norcantharidin (which is present in the structure in the hydrolyzed form)
分子名称: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H63
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BU of 3h63 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form)
分子名称: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
4DT2
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BU of 4dt2 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209
分子名称: (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W.
登録日2012-02-20
公開日2012-09-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
3H67
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BU of 3h67 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms complexed with cantharidic acid
分子名称: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H62
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BU of 3h62 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with cantharidic acid
分子名称: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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
分子名称: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H68
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BU of 3h68 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form)
分子名称: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H64
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BU of 3h64 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with endothall
分子名称: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
4F0Z
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BU of 4f0z by Molmil
Crystal Structure of Calcineurin in Complex with the Calcineurin-Inhibiting Domain of the African Swine Fever Virus Protein A238L
分子名称: Ankyrin repeat domain-containing protein A238L, CALCIUM ION, Calcineurin subunit B type 1, ...
著者Grigoriu, S, Peti, W, Page, R.
登録日2012-05-05
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin.
Plos Biol., 11, 2013
4FCX
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BU of 4fcx by Molmil
S.pombe Mre11 apoenzym
分子名称: DNA repair protein rad32, MANGANESE (II) ION
著者Schiller, C.B, Lammens, K, Hopfner, K.P.
登録日2012-05-25
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 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

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