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6TVE
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BU of 6tve by Molmil
Unliganded human CD73 (5'-nucleotidase) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 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
6ZEG
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BU of 6zeg by Molmil
Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, MANGANESE (II) ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
2Z72
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BU of 2z72 by Molmil
New Structure Of Cold-Active Protein Tyrosine Phosphatase At 1.1 Angstrom
分子名称: Protein-tyrosine-phosphatase, ZINC ION
著者Tsuruta, H, Mikami, B, Yamamoto, C, Yamagata, H.
登録日2007-08-10
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The role of group bulkiness in the catalytic activity of psychrophile cold-active protein tyrosine phosphatase
Febs J., 275, 2008
7PBY
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BU of 7pby by Molmil
Crystal structure of CD73 in complex with 4-nitrocatechol in the open form
分子名称: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-02
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
5KAR
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BU of 5kar by Molmil
Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ...
著者Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
登録日2016-06-02
公開日2016-10-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.142 Å)
主引用文献Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
5UQ6
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BU of 5uq6 by Molmil
PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE IN TWO COORDINATION MODES ALONG WITH A BRIDGING HYDROXIDE ION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, HYDROXIDE ION, ...
著者Selleck, C, Guddat, L, Schenk, G, Clayton, D.
登録日2017-02-06
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.182 Å)
主引用文献Visualization of the Reaction Trajectory and Transition State in a Hydrolytic Reaction Catalyzed by a Metalloenzyme.
Chemistry, 23, 2017
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
分子名称: (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, ...
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
登録日2015-05-19
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献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
3GVE
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BU of 3gve by Molmil
Crystal structure of calcineurin-like phosphoesterase YfkN from Bacillus subtilis
分子名称: CITRIC ACID, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Kim, Y, Marshall, N, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-03-30
公開日2009-04-28
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of Calcineurin-like Phosphoesterase from Bacillus subtilis
To be Published
3RL5
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BU of 3rl5 by Molmil
Rat metallophosphodiesterase MPPED2 H67R Mutant
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Metallophosphoesterase MPPED2, ...
著者Podobnik, M, Dermol, U.
登録日2011-04-19
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011
7PB5
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BU of 7pb5 by Molmil
Crystal structure of CD73 in complex with UMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-30
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
3RL4
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BU of 3rl4 by Molmil
Rat metallophosphodiesterase MPPED2 G252H Mutant
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Podobnik, M, Dermol, U.
登録日2011-04-19
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011
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
3ZTV
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BU of 3ztv by Molmil
Structure of Haemophilus influenzae NAD nucleotidase (NadN)
分子名称: ADENOSINE, GLYCEROL, NAD NUCLEOTIDASE, ...
著者Garavaglia, S, Bruzzone, S, Cassani, C, Canella, L, Allegrone, G, Sturla, L, Mannino, E, Millo, E, De Flora, A, Rizzi, M.
登録日2011-07-12
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The High-Resolution Crystal Structure of Periplasmic Haemophilus Influenzae Nad Nucleotidase Reveals a Novel Enzymatic Function of Human Cd73 Related to Nad Metabolism.
Biochem.J., 441, 2012
6ZEH
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BU of 6zeh by Molmil
Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S)x9 + spectrin alpha II (1025-1039)] bound to Phactr1 (516-580)
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Phosphatase and actin regulator, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
5INB
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BU of 5inb by Molmil
RepoMan-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex
分子名称: Cell division cycle-associated protein 2, GLYCEROL, MALONATE ION, ...
著者Kumar, G.S, Peti, W, Page, R.
登録日2016-03-07
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
8QJZ
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BU of 8qjz by Molmil
Crystal structure of E. coli LpxH in complex with lipid X
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2023-09-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
分子名称: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-03
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
5FC1
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BU of 5fc1 by Molmil
Murine SMPDL3A in complex with sulfate
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
登録日2015-12-14
公開日2016-01-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.389 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
7PD9
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BU of 7pd9 by Molmil
Crystal structure of CD73 in complex with riboflavin in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-04
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
6ZEI
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BU of 6zei by Molmil
Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
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
7P9R
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BU of 7p9r by Molmil
Crystal structure of CD73 in complex with GMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
6GIT
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BU of 6git by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - PRODUCT COMPLEX
分子名称: 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, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-15
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
7PBA
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BU of 7pba by Molmil
Crystal structure of CD73 in complex with IMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-01
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
3RL3
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BU of 3rl3 by Molmil
Rat metallophosphodiesterase MPPED2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Podobnik, M, Dermol, U.
登録日2011-04-19
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011

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