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6TZ7
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Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
著者Fox III, D, Horanyi, P.S.
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
6T8H
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BU of 6t8h by Molmil
Cryo-EM structure of the DNA-bound PolD-PCNA processive complex from P. abyssi
分子名称: DNA polymerase II small subunit, DNA polymerase sliding clamp, DNA primer, ...
著者Madru, C, Raia, P, Hugonneau Beaufet, I, Pehau-Arnaudet, G, England, P, Lindhal, E, Delarue, M, Carroni, M, Sauguet, L.
登録日2019-10-24
公開日2020-03-04
最終更新日2020-04-08
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Nat Commun, 11, 2020
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
6TWF
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BU of 6twf by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 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2020-01-13
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 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
6TW0
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Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Pippel, J, Strater, N.
登録日2020-01-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 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
6TVX
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BU of 6tvx by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Pippel, J, Strater, N.
登録日2020-01-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 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
6TZ6
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BU of 6tz6 by Molmil
Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
著者Fox III, D, Lukacs, C.M.
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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
4MOV
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BU of 4mov by Molmil
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
5F3W
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BU of 5f3w by Molmil
Structure of the ATPrS-Mre11/Rad50-DNA complex
分子名称: 27-MER DNA, DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase, DNA double-strand break repair protein Mre11, ...
著者Liu, Y.
登録日2015-12-03
公開日2016-03-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献ATP-dependent DNA binding, unwinding, and resection by the Mre11/Rad50 complex
Embo J., 35, 2016
5FC5
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Murine SMPDL3A in complex with phosphocholine
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2015-12-14
公開日2016-01-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.678 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
4IYP
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BU of 4iyp by Molmil
structure of the nPP2Ac-alpha4 complex
分子名称: Immunoglobulin-binding protein 1, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
著者Jiang, L, Stanevich, V, Satyshur, K.A, Xing, Y.
登録日2013-01-29
公開日2013-04-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Structural basis of protein phosphatase 2A stable latency.
Nat Commun, 4, 2013
5FIC
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Open form of murine Acid Sphingomyelinase in presence of lipid
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, Heinz, L.X, Superti-Furga, G, Nagar, B.
登録日2015-12-22
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
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
4LAC
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BU of 4lac by Molmil
Crystal Structure of Protein Phosphatase 2A (PP2A) and PP2A phosphatase activator (PTPA) complex with ATPgammaS
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Guo, F, Stanevich, V, Wlodarchak, N, Satyshur, K.A, Xing, Y.
登録日2013-06-19
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural basis of PP2A activation by PTPA, an ATP-dependent activation chaperone.
Cell Res., 24, 2014
5FI9
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Closed form of murine Acid Sphingomyelinase in complex with bisphosphonate inhibitor AbPA
分子名称: (1-azanyl-1-phosphono-decyl)phosphonic acid, 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, Heinz, L.X, Superti-Furga, G, Nagar, B.
登録日2015-12-22
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.543 Å)
主引用文献Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
4O24
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DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
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2013-12-16
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
5FIB
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BU of 5fib by Molmil
Open form of murine Acid Sphingomyelinase
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, Heinz, L.X, Superti-Furga, G, Nagar, B.
登録日2015-12-22
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
5FC1
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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
4JA7
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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
5FC6
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Murine SMPDL3A in complex with ADP analog AMPCP
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 (1.658 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
5EBE
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BU of 5ebe by Molmil
Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with 5' CMP
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, 5-O-phosphono-beta-D-ribofuranose, ...
著者Lim, S.M, Yeung, K, Tresaugues, L, Teo, H.L, Nordlund, P.
登録日2015-10-19
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a - an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity.
Febs J., 283, 2016
4MP0
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Structure of a second nuclear PP1 Holoenzyme, crystal form 2
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Hieke, M, Peti, W, Page, R.
登録日2013-09-12
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1003 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
4I5L
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BU of 4i5l by Molmil
Structural mechanism of trimeric PP2A holoenzyme involving PR70: insight for Cdc6 dephosphorylation
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ...
著者Wlodarchak, N, Satyshur, K.A, Guo, F, Xing, Y.
登録日2012-11-28
公開日2013-05-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of the Ca(2+)-dependent PP2A heterotrimer and insights into Cdc6 dephosphorylation.
Cell Res., 23, 2013
4JA9
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Rat PP5 apo
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 (2.3 Å)
主引用文献Selective activators of protein phosphatase 5 target the auto-inhibitory mechanism.
Biosci.Rep., 35, 2015

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