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7PBB
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BU of 7pbb by Molmil
Crystal structure of CD73 in complex with caffeine in the open form
Descriptor: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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
Descriptor: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.377 Å)
Cite: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
Descriptor: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-02
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.13 Å)
Cite: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
Descriptor: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-04
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite: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
6SQY
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BU of 6sqy by Molmil
Mouse dCTPase in complex with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1
Authors:Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
Deposit date:2019-09-04
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
6SQW
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BU of 6sqw by Molmil
Mouse dCTPase in complex with 5-Me-dCMP
Descriptor: 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1
Authors:Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
Deposit date:2019-09-04
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
6SQZ
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BU of 6sqz by Molmil
Mouse dCTPase in complex with dCMPNPP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, MAGNESIUM ION, dCTP pyrophosphatase 1
Authors:Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
Deposit date:2019-09-04
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
6YE1
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BU of 6ye1 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV)
Descriptor: 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
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6G40
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BU of 6g40 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH9525
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, N-glycosylase/DNA lyase, ...
Authors:Masuyer, G, Helleday, T, Stenmark, P.
Deposit date:2018-03-26
Release date:2019-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
7Q39
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BU of 7q39 by Molmil
Ribonucleotide Reductase R2_genomic protein from Aquifex aeolicus
Descriptor: FE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
Authors:Scaletti, E, Rehling, D, Stenmark, P.
Deposit date:2021-10-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7AYY
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BU of 7ayy by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AYZ
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BU of 7ayz by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with activator TH10785
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AZ0
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BU of 7az0 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with TH12161
Descriptor: 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Masuyer, G, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
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