6TW0
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![BU of 6tw0 by Molmil](/molmil-images/mine/6tw0) | 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
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5FI9
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![BU of 5fi9 by Molmil](/molmil-images/mine/5fi9) | 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
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6TZ6
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![BU of 6tz6 by Molmil](/molmil-images/mine/6tz6) | 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
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5K8K
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![BU of 5k8k by Molmil](/molmil-images/mine/5k8k) | 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
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8TWE
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![BU of 8twe by Molmil](/molmil-images/mine/8twe) | 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
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5IOH
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![BU of 5ioh by Molmil](/molmil-images/mine/5ioh) | 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
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5K71
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![BU of 5k71 by Molmil](/molmil-images/mine/5k71) | 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
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3H66
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![BU of 3h66 by Molmil](/molmil-images/mine/3h66) | 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
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5SVE
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![BU of 5sve by Molmil](/molmil-images/mine/5sve) | 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
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6HMF
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![BU of 6hmf by Molmil](/molmil-images/mine/6hmf) | 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
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5HQN
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![BU of 5hqn by Molmil](/molmil-images/mine/5hqn) | 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
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6VJ7
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![BU of 6vj7 by Molmil](/molmil-images/mine/6vj7) | 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
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5EBB
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![BU of 5ebb by Molmil](/molmil-images/mine/5ebb) | 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
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2IE4
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![BU of 2ie4 by Molmil](/molmil-images/mine/2ie4) | 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
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6TVX
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![BU of 6tvx by Molmil](/molmil-images/mine/6tvx) | 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
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3THO
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![BU of 3tho by Molmil](/molmil-images/mine/3tho) | |
2O8A
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![BU of 2o8a by Molmil](/molmil-images/mine/2o8a) | 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
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5JPE
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![BU of 5jpe by Molmil](/molmil-images/mine/5jpe) | 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
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5K78
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![BU of 5k78 by Molmil](/molmil-images/mine/5k78) | |
1KBP
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![BU of 1kbp by Molmil](/molmil-images/mine/1kbp) | 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
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6YE1
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![BU of 6ye1 by Molmil](/molmil-images/mine/6ye1) | 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
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7QM2
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![BU of 7qm2 by Molmil](/molmil-images/mine/7qm2) | |
8TWI
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![BU of 8twi by Molmil](/molmil-images/mine/8twi) | 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
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4KBP
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![BU of 4kbp by Molmil](/molmil-images/mine/4kbp) | 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
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4DT2
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![BU of 4dt2 by Molmil](/molmil-images/mine/4dt2) | 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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