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5UI1
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Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor
分子名称: 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E.
登録日2017-01-12
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure Human PP5C in Complex with an Inhibitor
To Be Published
4PEF
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BU of 4pef by Molmil
Dbr1 in complex with sulfate
分子名称: GLYCEROL, MANGANESE (II) ION, RNA lariat debranching enzyme, ...
著者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.
登録日2014-04-23
公開日2014-08-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
5B4C
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BU of 5b4c by Molmil
Crystal structure of H10N mutant of LpxH with manganese
分子名称: GLYCEROL, MANGANESE (II) ION, 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 (1.96 Å)
主引用文献Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa
Sci Rep, 6, 2016
6XUQ
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BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2020-01-20
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
4Q7F
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1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine.
分子名称: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5' nucleotidase family protein, MAGNESIUM ION, ...
著者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)
登録日2014-04-24
公開日2014-05-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine.
TO BE PUBLISHED
8QKA
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BU of 8qka by Molmil
Structure of K. pneumoniae LpxH in complex with JEDI-852
分子名称: 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, 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 (2 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
3LL8
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BU of 3ll8 by Molmil
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
分子名称: AKAP79 peptide, CALCIUM ION, Calcineurin subunit B type 1, ...
著者Li, H, Hogan, P.G.
登録日2010-01-28
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Nat.Struct.Mol.Biol., 19, 2012
7OV3
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BU of 7ov3 by Molmil
Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate
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Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
1U32
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Crystal structure of a Protein Phosphatase-1: Calcineurin Hybrid Bound to Okadaic Acid
分子名称: BETA-MERCAPTOETHANOL, MANGANESE (II) ION, OKADAIC ACID, ...
著者Maynes, J.T, Perreault, K.R, Cherney, M.M, Luu, H.A, James, M.N.G, Holmes, C.F.B.
登録日2004-07-20
公開日2004-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Mutagenesis of a Protein Phosphatase-1:Calcineurin Hybrid Elucidate the Role of the {beta}12-{beta}13 Loop in Inhibitor Binding
J.Biol.Chem., 279, 2004
6NVP
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BU of 6nvp by Molmil
Crystal structure of Pseudomonas putida nuclease MPE
分子名称: MANGANESE (II) ION, Nuclease MPE
著者Goldgur, Y, Shuman, S, Ejaz, A.
登録日2019-02-05
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activity and structure ofPseudomonas putidaMPE, a manganese-dependent single-strand DNA endonuclease encoded in a nucleic acid repair gene cluster.
J.Biol.Chem., 294, 2019
8DWL
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BU of 8dwl by Molmil
Inhibitor-3:PP1 coexpressed complex
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase PPP1R11, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, ...
著者Choy, M.S, Srivastava, G, Page, R, Peti, W.
登録日2022-08-01
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction.
Nat Commun, 14, 2023
4H2I
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BU of 4h2i by Molmil
Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with AMPCP
分子名称: 5'-nucleotidase, CALCIUM ION, CHLORIDE 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2018-06-27
実験手法X-RAY DIFFRACTION (2 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
4JA7
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BU of 4ja7 by Molmil
Rat PP5 co-crystallized with P5SA-2
分子名称: MAGNESIUM ION, Serine/threonine-protein phosphatase 5
著者Haslbeck, V, Helmuth, M, Alte, F, Popowicz, G, Schmidt, W, Weiwad, M, Fischer, G, Gemmecker, G, Sattler, M, Striggow, F, Groll, M, Richter, K.
登録日2013-02-18
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective activators of protein phosphatase 5 target the auto-inhibitory mechanism.
Biosci.Rep., 35, 2015
4PEG
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BU of 4peg by Molmil
Dbr1 in complex with guanosine-5'-monophosphate
分子名称: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
著者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.
登録日2014-04-23
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
8BRN
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BU of 8brn by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Hussein, W.M, Guddat, L.W, Schenk, G.
登録日2022-11-23
公開日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of an alpha-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches.
Eur.J.Med.Chem., 254, 2023
6G0I
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Active Fe-PP1
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Salvi, F, Barabas, O, Koehn, M.
登録日2018-03-18
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018
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
分子名称: (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
登録日2015-05-18
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 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
6TWA
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BU of 6twa by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Pippel, J, Strater, N.
登録日2020-01-12
公開日2020-02-19
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (2 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
5WLY
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BU of 5wly by Molmil
E. coli LpxH- 8 mutations
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Bohl, T.E, Aihara, H, Shi, K, Lee, J.K.
登録日2017-07-28
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The substrate-binding cap of the UDP-diacylglucosamine pyrophosphatase LpxH is highly flexible, enabling facile substrate binding and product release.
J. Biol. Chem., 293, 2018
5J28
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Ki67-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex
分子名称: Antigen KI-67, MALONATE ION, SODIUM ION, ...
著者Kumar, G.S, Peti, W, Page, R.
登録日2016-03-29
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
3H60
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BU of 3h60 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Mn2+ atoms
分子名称: 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 (2 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
1IT6
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BU of 1it6 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CALYCULIN A AND THE CATALYTIC SUBUNIT OF PROTEIN PHOSPHATASE 1
分子名称: CALYCULIN A, MANGANESE (II) ION, SERINE/THREONINE PROTEIN PHOSPHATASE 1 GAMMA (PP1-GAMMA) CATALYTIC SUBUNIT
著者Kita, A, Matsunaga, S, Takai, A, Kataiwa, H, Wakimoto, T, Fusetani, N, Isobe, M, Miki, K.
登録日2002-01-09
公開日2002-05-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex between calyculin A and the catalytic subunit of protein phosphatase 1.
Structure, 10, 2002
3EGH
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Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1), the PP1 binding and PDZ domains of Spinophilin and the small natural molecular toxin Nodularin-R
分子名称: GLYCEROL, MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, ...
著者Ragusa, M.J, Page, R, Peti, W.
登録日2008-09-10
公開日2010-03-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Spinophilin directs protein phosphatase 1 specificity by blocking substrate binding sites.
Nat.Struct.Mol.Biol., 17, 2010
3ZU0
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Structure of Haemophilus influenzae NAD nucleotidase (NadN)
分子名称: NAD NUCLEOTIDASE, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
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2011-07-13
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.001 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
6S7F
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Human CD73 (5'-nucleotidase) in complex with PSB12379 (an AOPCP derivative) in the closed state
分子名称: 5'-nucleotidase, CALCIUM ION, N6-benzyl-(alpha,beta)-methylene-ADP, ...
著者Pippel, J, Strater, N.
登録日2019-07-04
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019

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件を2024-06-12に公開中

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