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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
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
6TZ6
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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
5K8K
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Structure of the Haemophilus influenzae 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, ACETATE ION, GLYCEROL, ...
著者Cho, J, Lee, C.-J, Zhou, P.
登録日2016-05-30
公開日2016-08-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis.
Nat Microbiol, 1, 2016
8TWE
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BU of 8twe by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex, B55 body
分子名称: PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
著者Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
登録日2023-08-21
公開日2023-11-01
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
5IOH
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RepoMan-PP1a (protein phosphatase 1, alpha isoform) holoenzyme complex
分子名称: Cell division cycle-associated protein 2, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
著者Kumar, G.S, Peti, W, Page, R.
登録日2016-03-08
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.566 Å)
主引用文献The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
5K71
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apo Dbr1
分子名称: RNA lariat debranching enzyme, putative, SULFATE ION
著者Clark, N.E, Taylor, A.B, Hart, P.J.
登録日2016-05-25
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
3H66
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Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms
分子名称: 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 (2.59 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
5SVE
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BU of 5sve by Molmil
Structure of Calcineurin in complex with NFATc1 LxVP peptide
分子名称: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ...
著者Sheftic, S.R, Page, R, Peti, W.
登録日2016-08-05
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Investigating the human Calcineurin Interaction Network using the pi LxVP SLiM.
Sci Rep, 6, 2016
6HMF
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BU of 6hmf by Molmil
D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease) H451 proof-reading deficient variant
分子名称: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
著者Raia, P, Delarue, M, Sauguet, L.
登録日2018-09-12
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the DP1-DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases.
PLoS Biol., 17, 2019
5HQN
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BU of 5hqn by Molmil
Catalytic domain of murine Acid Sphingomyelinase (ASMase, ASM, SMPD1)
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2016-01-21
公開日2016-07-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
6VJ7
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BU of 6vj7 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate
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, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
登録日2020-01-15
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
5EBB
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BU of 5ebb by Molmil
Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with Zn2+
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, GLYCEROL, ...
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2020-07-29
実験手法X-RAY DIFFRACTION (2.6 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
2IE4
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BU of 2ie4 by Molmil
Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid
分子名称: MANGANESE (II) ION, OKADAIC ACID, Protein Phosphatase 2, ...
著者Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y.
登録日2006-09-17
公開日2006-11-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
6TVX
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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
3THO
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BU of 3tho by Molmil
Crystal structure of Mre11:Rad50 in its ATP/ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Exonuclease, putative, ...
著者Moeckel, C, Lammens, K.
登録日2011-08-19
公開日2011-10-12
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.6081 Å)
主引用文献ATP driven structural changes of the bacterial Mre11:Rad50 catalytic head complex.
Nucleic Acids Res., 40, 2012
2O8A
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BU of 2o8a by Molmil
rat PP1cgamma complexed with mouse inhibitor-2
分子名称: Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit
著者Hurley, T.D.
登録日2006-12-12
公開日2007-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis for regulation of protein phosphatase 1 by inhibitor-2.
J.Biol.Chem., 282, 2007
5JPE
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BU of 5jpe by Molmil
Yeast-specific serine/threonine protein phosphatase (PPZ1) of Candida albicans
分子名称: CITRATE ANION, GLYCEROL, Serine/threonine-protein phosphatase
著者Choy, M.S, Chen, E.H, Peti, W, Page, R.
登録日2016-05-03
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Mbio, 7, 2016
5K78
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BU of 5k78 by Molmil
Dbr1 in complex with 16-mer branched RNA
分子名称: FE (II) ION, RNA lariat debranching enzyme, putative, ...
著者Clark, N.E, Taylor, A.B, Hart, P.J.
登録日2016-05-25
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
1KBP
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KIDNEY BEAN PURPLE ACID PHOSPHATASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PURPLE ACID PHOSPHATASE, ...
著者Klabunde, T, Strater, N, Krebs, B.
登録日1995-02-20
公開日1996-10-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mechanism of Fe(III)-Zn(II) purple acid phosphatase based on crystal structures.
J.Mol.Biol., 259, 1996
6YE1
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Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV)
分子名称: 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
著者Scaletti, E, Strater, N.
登録日2020-03-23
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
7QM2
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Crystal structure of the PP1/PTG/beta-cyclodextrin ternary complex
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Protein phosphatase 1 regulatory subunit 3C, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
著者Semrau, M.S, Storici, P, Lolli, G.
登録日2021-12-20
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.685 Å)
主引用文献Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022
8TWI
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BU of 8twi by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex, PP2Ac body
分子名称: FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
著者Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
登録日2023-08-21
公開日2023-11-01
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
4KBP
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KIDNEY BEAN PURPLE ACID PHOSPHATASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PHOSPHATE ION, ...
著者Klabunde, T, Strater, N, Krebs, B.
登録日1995-10-02
公開日1996-12-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism of Fe(III)-Zn(II) purple acid phosphatase based on crystal structures.
J.Mol.Biol., 259, 1996
4DT2
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Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209
分子名称: (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W.
登録日2012-02-20
公開日2012-09-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012

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