7Z5B
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![BU of 7z5b by Molmil](/molmil-images/mine/7z5b) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546 | Descriptor: | 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION | Authors: | Scaletti, E, Stenmark, P. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546 To Be Published
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6QVG
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![BU of 6qvg by Molmil](/molmil-images/mine/6qvg) | Human SHMT2 in complex with lometrexol | Descriptor: | 5,10-DIDEAZATETRAHYDROFOLIC ACID, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P. | Deposit date: | 2019-03-01 | Release date: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs. Febs Lett., 593, 2019
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6QVL
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![BU of 6qvl by Molmil](/molmil-images/mine/6qvl) | Human SHMT2 in complex with pemetrexed | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P. | Deposit date: | 2019-03-03 | Release date: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs. Febs Lett., 593, 2019
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8A0T
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![BU of 8a0t by Molmil](/molmil-images/mine/8a0t) | MTH1 in complex with TH012532 | Descriptor: | 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Scaletti, E, Stenmark, P. | Deposit date: | 2022-05-30 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MTH1 in complex with TH012532 To Be Published
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8BQ7
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![BU of 8bq7 by Molmil](/molmil-images/mine/8bq7) | |
8BVX
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![BU of 8bvx by Molmil](/molmil-images/mine/8bvx) | |
6TVE
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![BU of 6tve by Molmil](/molmil-images/mine/6tve) | Unliganded human CD73 (5'-nucleotidase) in the open state | Descriptor: | 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Scaletti, E, Strater, N. | Deposit date: | 2020-01-09 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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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6TVG
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![BU of 6tvg by Molmil](/molmil-images/mine/6tvg) | |
7Z5R
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![BU of 7z5r by Molmil](/molmil-images/mine/7z5r) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 | Descriptor: | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION | Authors: | Davies, J.R, Scaletti, E, Stenmark, P. | Deposit date: | 2022-03-09 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 To Be Published
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7ZC7
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![BU of 7zc7 by Molmil](/molmil-images/mine/7zc7) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941 | Descriptor: | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION | Authors: | Davies, J.R, Scaletti, E, Stenmark, P. | Deposit date: | 2022-03-25 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941 To Be Published
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7ZG3
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![BU of 7zg3 by Molmil](/molmil-images/mine/7zg3) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228 | Descriptor: | N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide | Authors: | Davies, J.R, Scaletti, E, Stenmark, P. | Deposit date: | 2022-04-01 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228 To Be Published
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6Z9B
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![BU of 6z9b by Molmil](/molmil-images/mine/6z9b) | |
8A0S
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![BU of 8a0s by Molmil](/molmil-images/mine/8a0s) | MTH1 in complex with TH013350 | Descriptor: | 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Liu, H, Scaletti, E, Stenmark, P. | Deposit date: | 2022-05-30 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | MTH1 in complex with TH013350 To Be Published
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8A3A
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![BU of 8a3a by Molmil](/molmil-images/mine/8a3a) | MTH1 in complex with TH013074 | Descriptor: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Liu, H, Scaletti, E, Stenmark, P. | Deposit date: | 2022-06-07 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 in complex with TH013074 To Be Published
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8A34
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![BU of 8a34 by Molmil](/molmil-images/mine/8a34) | MTH1 in complex with TH013071 | Descriptor: | 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Liu, H, Scaletti, E, Stenmark, P. | Deposit date: | 2022-06-07 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MTH1 in complex with TH013071 To Be Published
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8B8I
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![BU of 8b8i by Molmil](/molmil-images/mine/8b8i) | |
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) | 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
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6YE2
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![BU of 6ye2 by Molmil](/molmil-images/mine/6ye2) | |
7P9T
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![BU of 7p9t by Molmil](/molmil-images/mine/7p9t) | Crystal structure of CD73 in complex with dCMP in the open form | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, 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 (1.79 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
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7PB5
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![BU of 7pb5 by Molmil](/molmil-images/mine/7pb5) | Crystal structure of CD73 in complex with UMP in the open form | Descriptor: | 5'-nucleotidase, CALCIUM ION, GLYCEROL, ... | Authors: | Scaletti, E.R, Strater, N. | Deposit date: | 2021-07-30 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.28 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
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7PA4
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![BU of 7pa4 by Molmil](/molmil-images/mine/7pa4) | Crystal structure of CD73 in complex with CMP in the open form | Descriptor: | 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Scaletti, E.R, Strater, N. | Deposit date: | 2021-07-28 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 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
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7PBA
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![BU of 7pba by Molmil](/molmil-images/mine/7pba) | Crystal structure of CD73 in complex with IMP in the open form | Descriptor: | 5'-nucleotidase, CALCIUM ION, GLYCEROL, ... | 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 (1.42 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
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7PBB
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![BU of 7pbb by Molmil](/molmil-images/mine/7pbb) | |
7P9N
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![BU of 7p9n by Molmil](/molmil-images/mine/7p9n) | 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
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7P9R
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![BU of 7p9r by Molmil](/molmil-images/mine/7p9r) | 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
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