5TC4
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![BU of 5tc4 by Molmil](/molmil-images/mine/5tc4) | Crystal structure of human mitochondrial methylenetetrahydrofolate dehydrogenase-cyclohydrolase (MTHFD2) in complex with LY345899 and cofactors | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Gustafsson, R, Jemth, A.-S, Gustafsson Sheppard, N, Farnegardh, K, Loseva, O, Wiita, E, Bonagas, N, Dahllund, L, Llona-Minguez, S, Haggblad, M, Henriksson, M, Andersson, Y, Homan, E, Helleday, T, Stenmark, P. | Deposit date: | 2016-09-14 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal Structure of the Emerging Cancer Target MTHFD2 in Complex with a Substrate-Based Inhibitor. Cancer Res., 77, 2017
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3ZR0
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![BU of 3zr0 by Molmil](/molmil-images/mine/3zr0) | Crystal structure of human MTH1 in complex with 8-oxo-dGMP | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION | Authors: | Svensson, L.M, Jemth, A, Desroses, M, Loseva, O, Helleday, T, Hogbom, M, Stenmark, P. | Deposit date: | 2011-06-13 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Human Mth1 and the 8-Oxo-Dgmp Product Complex. FEBS Lett., 585, 2011
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3ZR1
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![BU of 3zr1 by Molmil](/molmil-images/mine/3zr1) | Crystal structure of human MTH1 | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, SULFATE ION | Authors: | Svensson, L.M, Jemth, A, Desroses, M, Loseva, O, Helleday, T, Hogbom, M, Stenmark, P. | Deposit date: | 2011-06-13 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Mth1 and the 8-Oxo-Dgmp Product Complex. FEBS Lett., 585, 2011
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6S4A
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![BU of 6s4a by Molmil](/molmil-images/mine/6s4a) | Structure of human MTHFD2 in complex with TH9028 | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | 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 (1.95 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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6S4F
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![BU of 6s4f by Molmil](/molmil-images/mine/6s4f) | Structure of human MTHFD2 in complex with TH9619 | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Scaletti, E.R, Gustafsson, 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 (2.2 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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6S4E
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![BU of 6s4e by Molmil](/molmil-images/mine/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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6RLW
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![BU of 6rlw by Molmil](/molmil-images/mine/6rlw) | |
7PZ1
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![BU of 7pz1 by Molmil](/molmil-images/mine/7pz1) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ... | Authors: | Scaletti, E.R, Helleday, T, Stenmark, P. | Deposit date: | 2021-10-11 | Release date: | 2022-11-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1. Chemmedchem, 18, 2023
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5NQR
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![BU of 5nqr by Molmil](/molmil-images/mine/5nqr) | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | Descriptor: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase | Authors: | Carter, M, Stenmark, P. | Deposit date: | 2017-04-21 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
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3FHB
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![BU of 3fhb by Molmil](/molmil-images/mine/3fhb) | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor 3-aminobenzoic acid | Descriptor: | 3-AMINOBENZOIC ACID, Poly [ADP-ribose] polymerase 3 | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Schueler, H, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-09 | Release date: | 2009-01-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
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7AYY
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![BU of 7ayy by Molmil](/molmil-images/mine/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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![BU of 7ayz by Molmil](/molmil-images/mine/7ayz) | |
7AZ0
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![BU of 7az0 by Molmil](/molmil-images/mine/7az0) | |
6G3Y
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![BU of 6g3y by Molmil](/molmil-images/mine/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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6G3X
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![BU of 6g3x by Molmil](/molmil-images/mine/6g3x) | |
6G40
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![BU of 6g40 by Molmil](/molmil-images/mine/6g40) | 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
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6T5J
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![BU of 6t5j by Molmil](/molmil-images/mine/6t5j) | Structure of NUDT15 in complex with inhibitor TH1760 | Descriptor: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P. | Deposit date: | 2019-10-16 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of a chemical probe against NUDT15. Nat.Chem.Biol., 16, 2020
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4N1U
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![BU of 4n1u by Molmil](/molmil-images/mine/4n1u) | Structure of human MTH1 in complex with TH588 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION | Authors: | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | Deposit date: | 2013-10-04 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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4N1T
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![BU of 4n1t by Molmil](/molmil-images/mine/4n1t) | Structure of human MTH1 in complex with TH287 | Descriptor: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | Deposit date: | 2013-10-04 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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5NWH
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![BU of 5nwh by Molmil](/molmil-images/mine/5nwh) | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | Descriptor: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione, ADP-sugar pyrophosphatase | Authors: | Carter, M, Stenmark, P. | Deposit date: | 2017-05-06 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
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3CE0
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![BU of 3ce0 by Molmil](/molmil-images/mine/3ce0) | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34 | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3 | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-27 | Release date: | 2008-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
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3C49
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![BU of 3c49 by Molmil](/molmil-images/mine/3c49) | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948 | Descriptor: | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3 | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-29 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
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3C4H
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![BU of 3c4h by Molmil](/molmil-images/mine/3c4h) | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313 | Descriptor: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3 | Authors: | Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-30 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
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