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2IE4
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BU of 2ie4 by Molmil
Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid
Descriptor: MANGANESE (II) ION, OKADAIC ACID, Protein Phosphatase 2, ...
Authors:Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y.
Deposit date:2006-09-17
Release date:2006-11-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
7QWJ
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BU of 7qwj by Molmil
Crystal structure of Glc7 phosphatase
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Serine/threonine-protein phosphatase PP1-2
Authors:Malhotra, K, Carminati, M, Bertolotti, A, Bellini, D.
Deposit date:2022-01-25
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Glc7 phosphatase
To Be Published
2IE3
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BU of 2ie3 by Molmil
Structure of the Protein Phosphatase 2A Core Enzyme Bound to Tumor-inducing Toxins
Descriptor: MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ...
Authors:Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y.
Deposit date:2006-09-17
Release date:2006-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
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
7QFB
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BU of 7qfb by Molmil
Crystal structure of Protein Phosphatase 1 in complex with PP1-binding peptide from PTG
Descriptor: GLYCEROL, MANGANESE (II) ION, Protein phosphatase 1 regulatory subunit 3C, ...
Authors:Semrau, M.S, Storici, P, Lolli, G.
Deposit date:2021-12-05
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022
2IAE
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BU of 2iae by Molmil
Crystal structure of a protein phosphatase 2A (PP2A) holoenzyme.
Descriptor: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Cho, U.S, Xu, W.
Deposit date:2006-09-07
Release date:2006-12-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of a protein phosphatase 2A heterotrimeric holoenzyme.
Nature, 445, 2007
6X1Y
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BU of 6x1y by Molmil
Mre11 dimer in complex with small molecule modulator PFMI
Descriptor: (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D
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 (2.35 Å)
Cite:Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021
7PKS
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BU of 7pks by Molmil
Structural basis of Integrator-mediated transcription regulation
Descriptor: DNA Template, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
Authors:Fianu, I, Chen, Y, Dienemann, C, Cramer, P.
Deposit date:2021-08-26
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of Integrator-mediated transcription regulation.
Science, 374, 2021
6VJ7
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BU of 6vj7 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
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:2020-01-15
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 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
6XUE
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BU of 6xue by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV
Descriptor: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
3T1I
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BU of 3t1i by Molmil
Crystal Structure of Human Mre11: Understanding Tumorigenic Mutations
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Double-strand break repair protein MRE11A, GLYCEROL, ...
Authors:Park, Y.B, Chae, J, Kim, Y, Cho, Y.
Deposit date:2011-07-22
Release date:2011-11-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human mre11: understanding tumorigenic mutations
Structure, 19, 2011
5DNY
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BU of 5dny by Molmil
Structure of the ATPrS-Mre11/Rad50-DNA complex
Descriptor: DNA (27-MER), DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase, DNA double-strand break repair protein Mre11, ...
Authors:Liu, Y.
Deposit date:2015-09-10
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:ATP-dependent DNA binding, unwinding, and resection by the Mre11/Rad50 complex.
Embo J., 35, 2016
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
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
6G0J
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BU of 6g0j by Molmil
Inactive Fe-PP1
Descriptor: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Salvi, F, Barabas, O, Koehn, M.
Deposit date:2018-03-18
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018
6G0I
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BU of 6g0i by Molmil
Active Fe-PP1
Descriptor: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Salvi, F, Barabas, O, Koehn, M.
Deposit date:2018-03-18
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018
6GIZ
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BU of 6giz by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - SUBSTRATE COMPLEX
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-15
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
4DSY
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BU of 4dsy by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC24201
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-phenylpyridine-3-carboxylic acid, ...
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 (2.3 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
6GJ2
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BU of 6gj2 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - COMPLEX WITH INOSITOL HEXASULPHATE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-15
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GJ9
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BU of 6gj9 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - REGENERATION COMPLEX
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-16
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of a cereal purple acid phytase provides insights to phytate degradation in plants
To Be Published
4DHL
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BU of 4dhl by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment MO07123
Descriptor: 1,2-ETHANEDIOL, 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feder, D, Clayton, D.J, Hussein, W.M, Schenk, G, McGeary, R, Guddat, L.W.
Deposit date:2012-01-29
Release date:2012-12-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
6GIT
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BU of 6git by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - PRODUCT COMPLEX
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-15
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GJA
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BU of 6gja by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-16
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
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
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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid, ...
Authors:Feder, D.F.
Deposit date:2018-03-26
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics.
Eur J Med Chem, 157, 2018

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