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3H61
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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
7PA4
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Crystal structure of CD73 in complex with CMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-28
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 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
5EQV
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1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-MALATE, FE (III) ION, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-11-13
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site.
To Be Published
6DNO
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Crystal structure of Protein Phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (Gm)
分子名称: Microcystin-LR, Protein phosphatase 1 regulatory subunit 3A, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
著者Choy, M.S, Kumar, G.S, Peti, W, Page, R.
登録日2018-06-07
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of the substrate recruitment mechanism of the muscle glycogen protein phosphatase 1 holoenzyme.
Sci Adv, 4, 2018
4MOV
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1.45 A Resolution Crystal Structure of Protein Phosphatase 1
分子名称: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2013-09-12
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4503 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
5FC7
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Murine SMPDL3A in complex with sulfate (tetragonal)
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2015-12-15
公開日2016-01-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.456 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
7PBB
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Crystal structure of CD73 in complex with caffeine in the open form
分子名称: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
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 (1.47 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
6TVG
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Human CD73 (ecto 5'-nucleotidase) in complex with AMPCP in the open state
分子名称: 5'-nucleotidase, ecto (CD73), isoform CRA_a, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 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
3H68
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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
7QGA
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Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
2ZBM
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BU of 2zbm by Molmil
Crystal Structure of I115M Mutant Cold-Active Protein Tyrosine Phosphatase
分子名称: Protein-tyrosine-phosphatase, ZINC ION
著者Tsuruta, H, Mikami, B, Yamamoto, C, Yamagata, H.
登録日2007-10-24
公開日2008-07-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.5 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
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
6GJA
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PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-16
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 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
6GIZ
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PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - SUBSTRATE 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 (1.54 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
5FCB
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BU of 5fcb by Molmil
Murine SMPDL3A in complex with AMP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
登録日2015-12-15
公開日2016-01-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
4V0W
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The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-669)
分子名称: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
著者Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
登録日2014-09-18
公開日2015-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
7P9N
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Crystal structure of CD73 in complex with AMP in the open form
分子名称: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
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 (1.55 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
4H2G
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Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with adenosine
分子名称: 5'-nucleotidase, ADENOSINE, CALCIUM ION, ...
著者Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J.
登録日2012-09-12
公開日2012-11-28
最終更新日2012-12-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
1UTE
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BU of 1ute by Molmil
PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, MU-OXO-DIIRON, ...
著者Guddat, L.W, Mcalpine, A, Hume, D, Hamilton, S, De Jersey, J, Martin, J.L.
登録日1999-01-18
公開日1999-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mammalian purple acid phosphatase.
Structure Fold.Des., 7, 1999
4H1Y
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Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with PSB11552
分子名称: 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name), 5'-nucleotidase, CALCIUM ION, ...
著者Pippel, J, Zebisch, M, Knapp, K, Straeter, N.
登録日2012-09-11
公開日2012-11-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
3IB7
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Crystal structure of full length Rv0805
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Podobnik, M, Dermol, U.
登録日2009-07-15
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A mycobacterial cyclic AMP phosphodiesterase that moonlights as a modifier of cell wall permeability
J.Biol.Chem., 284, 2009
1S95
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Structure of serine/threonine protein phosphatase 5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Swingle, M.R, Honkanen, R.E, Ciszak, E.M.
登録日2004-02-03
公開日2004-08-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the catalytic activity of human serine/threonine protein phosphatase-5.
J.Biol.Chem., 279, 2004
4J6O
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Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP
分子名称: CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ...
著者Wang, L, Smith, P, Shuman, S.
登録日2013-02-11
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
5B4B
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Crystal structure of LpxH with lipid X in spacegroup C2
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, GLYCEROL, UDP-2,3-diacylglucosamine hydrolase
著者Okada, C, Wakabayashi, H, Yao, M, Tanaka, I.
登録日2016-04-03
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa
Sci Rep, 6, 2016

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