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3THO
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BU of 3tho by Molmil
Crystal structure of Mre11:Rad50 in its ATP/ADP bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Exonuclease, putative, ...
Authors:Moeckel, C, Lammens, K.
Deposit date:2011-08-19
Release date:2011-10-12
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6081 Å)
Cite:ATP driven structural changes of the bacterial Mre11:Rad50 catalytic head complex.
Nucleic Acids Res., 40, 2012
3K7V
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BU of 3k7v by Molmil
Protein phosphatase 2A core complex bound to dinophysistoxin-1
Descriptor: (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ...
Authors:Jeffrey, P.D, Huhn, J, Shi, Y.
Deposit date:2009-10-13
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
1MF8
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BU of 1mf8 by Molmil
Crystal Structure of human calcineurin complexed with cyclosporin A and human cyclophilin
Descriptor: CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CALMODULIN-DEPENDENT CALCINEURIN A SUBUNIT, ...
Authors:Jin, L, Harrison, S.C.
Deposit date:2002-08-09
Release date:2002-10-16
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Human Calcineurin Complexed with Cyclosporin a and Human Cyclophilin
Proc.Natl.Acad.Sci.USA, 99, 2002
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
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
1OIE
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BU of 1oie 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:2003-06-16
Release date:2004-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Trapping a 96 Degree Domain Rotation in Two Distinct Conformations by Engineered Disulfide Bridges
Protein Sci., 13, 2004
3N5U
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BU of 3n5u by Molmil
Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Retinoblastoma-associated protein, ...
Authors:Hirschi, A.M, Cecchini, M, Steinhardt, R.C, Dick, F.A, Rubin, S.M.
Deposit date:2010-05-25
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An overlapping kinase and phosphatase docking site regulates activity of the retinoblastoma protein.
Nat.Struct.Mol.Biol., 17, 2010
2QFR
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BU of 2qfr by Molmil
Crystal structure of red kidney bean purple acid phosphatase with bound sulfate
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
Authors:Guddat, L.W, Schenk, G, Gahan, L.R, Elliot, T.W, Leung, E.
Deposit date:2007-06-27
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle.
Bmc Struct.Biol., 8, 2008
3THN
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BU of 3thn by Molmil
Crystal structure of Mre11 core with manganese
Descriptor: Exonuclease, putative, MANGANESE (II) ION, ...
Authors:Moeckel, C, Lammens, K.
Deposit date:2011-08-19
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.811 Å)
Cite:ATP driven structural changes of the bacterial Mre11:Rad50 catalytic head complex.
Nucleic Acids Res., 40, 2012
2Q8U
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BU of 2q8u by Molmil
CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION
Descriptor: Exonuclease, putative
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-06-11
Release date:2007-06-26
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair.
J.Mol.Biol., 397, 2010
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
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
3P71
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BU of 3p71 by Molmil
Crystal structure of the complex of LCMT-1 and PP2A
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, DI(HYDROXYETHYL)ETHER, Leucine carboxyl methyltransferase 1, ...
Authors:Xing, Y, Stanevich, V, Satyshur, K.A, Jiang, L.
Deposit date:2010-10-11
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structural Basis for Tight Control of PP2A Methylation and Function by LCMT-1.
Mol.Cell, 41, 2011
3QG5
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BU of 3qg5 by Molmil
The Mre11:Rad50 complex forms an ATP dependent molecular clamp in DNA double-strand break repair
Descriptor: GLYCEROL, Mre11, rad50
Authors:Lammens, K.
Deposit date:2011-01-24
Release date:2011-04-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Mre11:Rad50 Structure Shows an ATP-Dependent Molecular Clamp in DNA Double-Strand Break Repair.
Cell(Cambridge,Mass.), 145, 2011
4XPN
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BU of 4xpn by Molmil
Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GADD34
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2015-01-17
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Structural and Functional Analysis of the GADD34:PP1 eIF2 alpha Phosphatase.
Cell Rep, 11, 2015
4ZVZ
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BU of 4zvz by Molmil
Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Descriptor: (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
Deposit date:2015-05-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C.
Biochem. Pharmacol., 109, 2016
4YKE
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BU of 4yke by Molmil
Crystal structure of eukaryotic Mre11 catalytic domain from Chaetomium thermophilum
Descriptor: MANGANESE (II) ION, Mre11
Authors:Seifert, F.U, Lammens, K, Hopfner, K.-P.
Deposit date:2015-03-04
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.783 Å)
Cite:Structure of the catalytic domain of Mre11 from Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 71, 2015
4ZX2
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BU of 4zx2 by Molmil
Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Descriptor: (1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
Deposit date:2015-05-19
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C.
Biochem. Pharmacol., 109, 2016
7ZR1
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BU of 7zr1 by Molmil
Chaetomium thermophilum Mre11-Rad50-Nbs1 complex bound to ATPyS (composite structure)
Descriptor: DH domain-containing protein, Double-strand break repair protein, FHA domain-containing protein, ...
Authors:Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P.
Deposit date:2022-05-03
Release date:2023-01-11
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions.
Mol.Cell, 83, 2023
6X1Z
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BU of 6x1z by Molmil
Mre11 dimer in complex with small molecule modulator PFMJ
Descriptor: (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Arvai, A.S, Moiani, D, Tainer, J.A.
Deposit date:2020-05-19
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
Deposit date:2019-07-29
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
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)
Descriptor: 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
Authors:Strater, N.
Deposit date:2021-12-09
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-07
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022

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数据于2024-08-07公开中

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