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6NUC
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BU of 6nuc by Molmil
Structure of Calcineurin in complex with NHE1 peptide
分子名称: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, X, Page, R, Peti, W.
登録日2019-01-31
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
6NUF
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BU of 6nuf by Molmil
Structure of Calcineurin in complex with NHE1 peptide
分子名称: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, X, Page, R, Peti, W.
登録日2019-01-31
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
6Z9D
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BU of 6z9d by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative AB680 (compound 55 in publication) in the closed form (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2020-06-03
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
6ZEE
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BU of 6zee by Molmil
Structure of PP1(7-300) bound to Phactr1 (507-580) at pH8.4
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, GLYCEROL, ...
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 (1.9 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZK6
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BU of 6zk6 by Molmil
Protein Phosphatase 1 (PP1) T320E mutant
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Salvi, F, Barabas, O, Koehn, M.
登録日2020-06-29
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation.
Chembiochem, 22, 2021
6X1Z
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BU of 6x1z by Molmil
Mre11 dimer in complex with small molecule modulator PFMJ
分子名称: (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
著者Arvai, A.S, Moiani, D, Tainer, J.A.
登録日2020-05-19
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021
3D03
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BU of 3d03 by Molmil
1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes
分子名称: COBALT (II) ION, Phosphohydrolase
著者Hadler, K.S, Tanifum, E, Yip, S.H.-C, Miti, N, Guddat, L.W, Jackson, C.J, Gahan, L.R, Carr, P.D, Nguyen, K, Ollis, D.L, Hengge, A.C, Larrabee, J.A, Schenk, G.
登録日2008-04-30
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
5H7W
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BU of 5h7w by Molmil
Crystal structure of 5'-nucleotidase from venom of Naja atra
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ZINC ION, ...
著者Chang, C, Lin, C.-C, Wu, W.-G.
登録日2016-11-21
公開日2017-11-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal strucuture of Taiwan cobra (Naja atra) venom 5'-nucleotidase at 1.9 Angstroms resolution.
To Be Published
1JK7
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BU of 1jk7 by Molmil
CRYSTAL STRUCTURE OF THE TUMOR-PROMOTER OKADAIC ACID BOUND TO PROTEIN PHOSPHATASE-1
分子名称: BETA-MERCAPTOETHANOL, MANGANESE (II) ION, OKADAIC ACID, ...
著者Maynes, J.T, Bateman, K.S, Cherney, M.M, Das, A.K, James, M.N.
登録日2001-07-11
公開日2001-08-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the tumor-promoter okadaic acid bound to protein phosphatase-1.
J.Biol.Chem., 276, 2001
4NZV
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BU of 4nzv by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: Exonuclease, putative, MANGANESE (II) ION
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-12
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
8W6P
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BU of 8w6p by Molmil
Crystal structure of dimeric murine SMPDL3A
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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Zhang, C, Liu, P, Fan, S, Hou, Y.
登録日2023-08-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
6PH9
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BU of 6ph9 by Molmil
Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex
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, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cho, J, Zhou, P.
登録日2019-06-25
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
5FCA
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BU of 5fca by Molmil
Murine SMPDL3A in presence of excess zinc
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 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 (1.924 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
2HY1
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BU of 2hy1 by Molmil
Crystal structure of Rv0805
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Shenoy, A.R, Capuder, M, Draskovic, P, Lamba, D, Visweswariah, S.S, Podobnik, M.
登録日2006-08-04
公開日2006-12-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
J.Mol.Biol., 365, 2007
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
分子名称: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
著者Strater, N.
登録日2020-01-19
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6ZEF
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BU of 6zef by Molmil
Structure of PP1(7-300) bound to Phactr1 (516-580) at pH 5.25
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, 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 (1.94 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
8W6R
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BU of 8w6r by Molmil
murine SMPDL3A bound to 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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Zhang, C, Liu, P, Fan, S.
登録日2023-08-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
8QK2
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BU of 8qk2 by Molmil
Structure of K.pneumoniae LpxH in complex with EBL-3339
分子名称: MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
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 (1.95 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
8QK5
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BU of 8qk5 by Molmil
Structure of K. pneumoniae LpxH in complex with EBL-3647
分子名称: 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]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 (1.95 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
7TXH
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BU of 7txh by Molmil
Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca
分子名称: GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ...
著者Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M.
登録日2022-02-09
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of the MRAS-SHOC2-PP1C phosphatase complex.
Nature, 609, 2022
4PEI
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BU of 4pei by Molmil
Dbr1 in complex with synthetic branched RNA analog
分子名称: GLYCEROL, NICKEL (II) ION, RNA (5'-R(*(G46)P*U)-3'), ...
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 (1.95 Å)
主引用文献Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
5VJV
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BU of 5vjv by Molmil
Rhizobiales-like phosphatase 2
分子名称: PHOSPHATE ION, Rhizobiales-like phosphatase 2, ZINC ION
著者Ng, K.K.S, Labandera, A, Moorhead, G.
登録日2017-04-20
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the preference of the Arabidopsis thalianaphosphatase RLPH2 for tyrosine-phosphorylated substrates.
Sci Signal, 11, 2018
6OBU
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BU of 6obu by Molmil
PP1 Y134K in complex with Microcystin LR
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
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 (1.95 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HWR
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BU of 6hwr by Molmil
Red kidney bean purple acid phosphatase in complex with adenosine divanadate
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, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2018-10-13
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
4UT2
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BU of 4ut2 by Molmil
X-ray structure of the human PP1 gamma catalytic subunit treated with ascorbate
分子名称: MANGANESE (II) ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
著者Kopec, J, Zeh Silva, M, Fotinou, C, Steiner, R.A.
登録日2014-07-17
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Targeted Redox Inhibition of Protein Phosphatase 1 by Nox4 Regulates Eif2Alpha-Mediated Stress Signaling.
Embo J., 35, 2016

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