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4PEF
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BU of 4pef by Molmil
Dbr1 in complex with sulfate
Descriptor: GLYCEROL, MANGANESE (II) ION, RNA lariat debranching enzyme, ...
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:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
Deposit date:2019-03-21
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
Deposit date:2019-03-21
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.803 Å)
Cite: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
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Microcystin LR, ...
Authors:Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
Deposit date:2019-03-21
Release date:2019-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
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
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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P.
Deposit date:2019-03-28
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, X, Page, R, Peti, W.
Deposit date:2019-01-31
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: GLYCEROL, NICKEL (II) ION, RNA (5'-R(*(G46)P*U)-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 (1.95 Å)
Cite: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
Descriptor: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
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 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE (III) ION, ...
Authors:Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
Deposit date:2019-03-21
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
Deposit date:2019-03-21
Release date:2019-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W.
Deposit date:2019-03-29
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ...
Authors:Li, S.J, Wang, J, Wu, J.W, Wang, Z.X.
Deposit date:2014-02-11
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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.
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5' nucleotidase family protein, MAGNESIUM ION, ...
Authors: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)
Deposit date:2014-04-24
Release date:2014-05-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
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
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)
Descriptor: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
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 (1.45 Å)
Cite: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)
Descriptor: (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
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 (1.3 Å)
Cite: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
Descriptor: (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W.
Deposit date:2012-02-20
Release date:2012-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: (1R,2S,3R,4S)-2,3-dimethyl-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 (1.65 Å)
Cite: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
Descriptor: (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
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 (1.4 Å)
Cite: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
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
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)
Descriptor: (1R,2S,3R,4S)-2,3-dimethyl-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 (1.5 Å)
Cite: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
Descriptor: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
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 (1.9 Å)
Cite: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
Descriptor: Ankyrin repeat domain-containing protein A238L, CALCIUM ION, Calcineurin subunit B type 1, ...
Authors:Grigoriu, S, Peti, W, Page, R.
Deposit date:2012-05-05
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: DNA repair protein rad32, MANGANESE (II) ION
Authors:Schiller, C.B, Lammens, K, Hopfner, K.P.
Deposit date:2012-05-25
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling.
Nat.Struct.Mol.Biol., 19, 2012

221716

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