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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
7K36
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BU of 7k36 by Molmil
Cryo-EM structure of STRIPAK complex
分子名称: INOSITOL HEXAKISPHOSPHATE, MANGANESE (II) ION, MOB-like protein phocein, ...
著者Jeong, B.-C, Bai, X.C.
登録日2020-09-10
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the Hippo signaling integrator human STRIPAK.
Nat.Struct.Mol.Biol., 28, 2021
7DOG
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BU of 7dog by Molmil
Crystal structure of a nuclease and capping domain of SbcD from Staphylococcus aureus
分子名称: MANGANESE (II) ION, Nuclease SbcCD subunit D
著者Lee, J, Ha, N.-C.
登録日2020-12-14
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of the nuclease and capping domain of SbcD from Staphylococcus aureus.
J.Microbiol, 59, 2021
7OBE
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BU of 7obe by Molmil
X-ray structure of the phosphatase PAPP5 from Arabidopsis thaliana
分子名称: CHLORIDE ION, Isoform 2 of Serine/threonine-protein phosphatase 5, MANGANESE (II) ION
著者von Horsten, S, Essen, L.-O.
登録日2021-04-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformational Change of Tetratricopeptide Repeats Region Triggers Activation of Phytochrome-Associated Protein Phosphatase 5.
Front Plant Sci, 12, 2021
7D0V
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BU of 7d0v by Molmil
Crystal structure of Taiwan cobra 5'-nucleotidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Snake venom 5'-nucleotidase, ...
著者Tsai, M.-H, Lin, I.-J, Lin, C.-C, Wu, W.-G.
登録日2020-09-12
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.175 Å)
主引用文献Crystal structure of Taiwan cobra 5'-nucleotidase
To Be Published
7NZM
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BU of 7nzm by Molmil
Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Yan, Y, Hardwick, S, Ron, D.
登録日2021-03-24
公開日2021-09-29
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Higher-order phosphatase-substrate contacts terminate the integrated stress response.
Nat.Struct.Mol.Biol., 28, 2021
7P9T
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BU of 7p9t by Molmil
Crystal structure of CD73 in complex with dCMP in the open form
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PB5
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Crystal structure of CD73 in complex with UMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-30
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBA
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Crystal structure of CD73 in complex with IMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-01
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-28
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBB
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Crystal structure of CD73 in complex with caffeine in the open form
分子名称: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-01
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9N
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BU of 7p9n by Molmil
Crystal structure of CD73 in complex with AMP in the open form
分子名称: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9R
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BU of 7p9r by Molmil
Crystal structure of CD73 in complex with GMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PD9
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BU of 7pd9 by Molmil
Crystal structure of CD73 in complex with riboflavin in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-04
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
分子名称: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-03
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBY
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BU of 7pby by Molmil
Crystal structure of CD73 in complex with 4-nitrocatechol in the open form
分子名称: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-02
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PKS
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BU of 7pks by Molmil
Structural basis of Integrator-mediated transcription regulation
分子名称: DNA Template, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Fianu, I, Chen, Y, Dienemann, C, Cramer, P.
登録日2021-08-26
公開日2021-12-08
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of Integrator-mediated transcription regulation.
Science, 374, 2021
7BBJ
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BU of 7bbj by Molmil
CD73 in complex with the humanized antagonistic antibody mAb19
分子名称: 5'-nucleotidase, MAGNESIUM ION, ZINC ION, ...
著者Boettcher, J, Han, F.
登録日2020-12-17
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Novel Antagonistic CD73 Antibody for Inhibition of the Immunosuppressive Adenosine Pathway.
Mol.Cancer Ther., 20, 2021
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
7OV2
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Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ...
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 (2.1 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7OV8
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Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021

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