7P37
 
 | | Streptomyces coelicolor ATP-loaded NrdR | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transcriptional repressor NrdR, ZINC ION | | Authors: | Martinez-Carranza, M, Stenmark, P. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | A nucleotide-sensing oligomerization mechanism that controls NrdR-dependent transcription of ribonucleotide reductases.
Nat Commun, 13, 2022
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7P3Q
 | | Streptomyces coelicolor dATP/ATP-loaded NrdR octamer | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transcriptional repressor NrdR, ... | | Authors: | Martinez-Carranza, M, Stenmark, P. | | Deposit date: | 2021-07-08 | | Release date: | 2022-05-11 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | A nucleotide-sensing oligomerization mechanism that controls NrdR-dependent transcription of ribonucleotide reductases.
Nat Commun, 13, 2022
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5LUZ
 | | Structure of Human Neurolysin (E475Q) in complex with neurotensin peptide products | | Descriptor: | CHLORIDE ION, GLYCEROL, Neurolysin, ... | | Authors: | Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P. | | Deposit date: | 2016-09-12 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism of Peptide Binding and Cleavage by the Human Mitochondrial Peptidase Neurolysin.
J. Mol. Biol., 430, 2018
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2UVL
 | | Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3) | | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION | | Authors: | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Upsten, M, Van Den Berg, S, Weigelt, J, Nordlund, P. | | Deposit date: | 2007-03-12 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
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6ZJK
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6QVO
 | | Crystal structure of human MTH1 in complex with N6-methyl-dAMP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Scaletti, E, Vallin, K.S, Brautigam, L, Sarno, A, Warpman Berglund, U, Helleday, T, Stenmark, P, Jemth, A.S. | | Deposit date: | 2019-03-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | MutT homologue 1 (MTH1) removes N6-methyl-dATP from the dNTP pool.
J.Biol.Chem., 295, 2020
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6S4E
 | | Structure of human MTHFD2 in complex with TH7299 | | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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7NR6
 | | Structure of NUDT15 in complex with NSC56456 | | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione, MAGNESIUM ION, ... | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2021-03-03 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Coupling cellular target engagement to drug-induced responses with CeTEAM
To Be Published
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6G3Y
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675 | | Descriptor: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, ACETATE ION, N-glycosylase/DNA lyase, ... | | Authors: | Masuyer, G, Helleday, T, Stenmark, P. | | Deposit date: | 2018-03-26 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
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6ZJC
 | | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione and triethyltin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase, ... | | Authors: | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | | Deposit date: | 2020-06-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
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6G3X
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5LV0
 | | Structure of Human Neurolysin (E475Q) in complex with amyloid-beta 35-40 peptide product | | Descriptor: | CHLORIDE ION, GLY-VAL-VAL amyloid 35-40 fragment, Neurolysin, ... | | Authors: | Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P. | | Deposit date: | 2016-09-12 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional analysis of Neurolysin, a new component of the mitochondrial peptidolytic network
To Be Published
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5LPG
 | | Structure of NUDT15 in complex with 6-thio-GMP | | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Masuyer, G, Carter, M, Rehling, D, Stenmark, P, Helleday, T, Jemth, A.-S, Valerie, N.C.K, Homan, E, Herr, P, Bevc, L, Page, B.D.G, Hagenkort, A. | | Deposit date: | 2016-08-12 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine.
Cancer Res., 76, 2016
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5LR0
 | | Binding domain of Botulinum Neurotoxin DC in complex with SialylT | | Descriptor: | Botulinum neurotoxin D/C protein, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Berntsson, R.P.-A, Stenmark, P. | | Deposit date: | 2016-08-18 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural basis for the unique ganglioside and cell membrane recognition mechanism of botulinum neurotoxin DC.
Nat Commun, 8, 2017
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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
 | | 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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8B8I
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8BYP
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5BON
 | | Crystal structure of human Nudt15 (MTH2) | | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | | Authors: | Carter, M, Jemth, A.-S, Helleday, T, Stenmark, P. | | Deposit date: | 2015-05-27 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2.
Nat Commun, 6, 2015
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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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7OVW
 | | Binding domain of botulinum neurotoxin E in complex with GD1a | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type E | | Authors: | Masuyer, G, Stenmark, P. | | Deposit date: | 2021-06-15 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E.
Int J Mol Sci, 22, 2021
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7ALE
 | | Crystal structure of human PAICS in complex with inhibitor 69 | | Descriptor: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2 | | Authors: | Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-06 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Cellular and biochemical validation of a potent PAICS inhibitor
To Be Published
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7AYY
 | | 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
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7AYZ
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7AZ0
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