5H4J
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![BU of 5h4j by Molmil](/molmil-images/mine/5h4j) | Crystal structure of Human dUTPase in complex with N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide | Descriptor: | DIMETHYL SULFOXIDE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ... | Authors: | Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M. | Deposit date: | 2016-11-01 | Release date: | 2017-11-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | TAS-114, a First-in-Class Dual dUTPase/DPD Inhibitor, Demonstrates Potential to Improve Therapeutic Efficacy of Fluoropyrimidine-Based Chemotherapy. Mol. Cancer Ther., 17, 2018
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3ARN
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![BU of 3arn by Molmil](/molmil-images/mine/3arn) | Human dUTPase in complex with novel uracil derivative | Descriptor: | Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide | Authors: | Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M. | Deposit date: | 2010-12-03 | Release date: | 2010-12-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a novel class of potent human deoxyuridine triphosphatase inhibitors remarkably enhancing the antitumor activity of thymidylate synthase inhibitors J.Med.Chem., 55, 2012
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3ARA
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![BU of 3ara by Molmil](/molmil-images/mine/3ara) | Discovery of Novel Uracil Derivatives as Potent Human dUTPase Inhibitors | Descriptor: | 1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION | Authors: | Chong, K.T, Miyakoshi, H, Miyahara, S, Fukuoka, M. | Deposit date: | 2010-11-25 | Release date: | 2010-12-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis and discovery of N-carbonylpyrrolidine- or N-sulfonylpyrrolidine-containing uracil derivatives as potent human deoxyuridine triphosphatase inhibitors J.Med.Chem., 55, 2012
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1CG5
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![BU of 1cg5 by Molmil](/molmil-images/mine/1cg5) | DEOXY FORM HEMOGLOBIN FROM DASYATIS AKAJEI | Descriptor: | PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Chong, K.T, Morimoto, H. | Deposit date: | 1999-03-26 | Release date: | 1999-04-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of the deoxy and CO forms of haemoglobin from Dasyatis akajei, a cartilaginous fish. Acta Crystallogr.,Sect.D, 55, 1999
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1CG8
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![BU of 1cg8 by Molmil](/molmil-images/mine/1cg8) | CO Form Hemoglobin from Dasyatis Akajei | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Chong, K.T, Morimoto, H. | Deposit date: | 1999-03-26 | Release date: | 1999-04-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of the deoxy and CO forms of haemoglobin from Dasyatis akajei, a cartilaginous fish. Acta Crystallogr.,Sect.D, 55, 1999
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3WQ9
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![BU of 3wq9 by Molmil](/molmil-images/mine/3wq9) | Crystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide | Descriptor: | 2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide, Heat shock protein HSP 90-alpha | Authors: | Chong, K.T, Yamashita, S, Oshiumi, H, Uno, T, Kitade, M. | Deposit date: | 2014-01-23 | Release date: | 2015-02-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of highly selective Hsp90 / inhibitors by structure and thermodynamics guided design To be Published
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3R22
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![BU of 3r22 by Molmil](/molmil-images/mine/3r22) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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3R21
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![BU of 3r21 by Molmil](/molmil-images/mine/3r21) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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1UHI
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![BU of 1uhi by Molmil](/molmil-images/mine/1uhi) | Crystal structure of i-aequorin | Descriptor: | (2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(4-IODOBENZYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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1UHH
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![BU of 1uhh by Molmil](/molmil-images/mine/1uhh) | Crystal structure of cp-aequorin | Descriptor: | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H) -ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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1UHJ
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![BU of 1uhj by Molmil](/molmil-images/mine/1uhj) | Crystal structure of br-aequorin | Descriptor: | (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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1UHK
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![BU of 1uhk by Molmil](/molmil-images/mine/1uhk) | Crystal structure of n-aequorin | Descriptor: | (2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE, Aequorin 2 | Authors: | Toma, S, Chong, K.T, Nakagawa, A, Teranishi, K, Inouye, S, Shimomura, O. | Deposit date: | 2003-07-03 | Release date: | 2005-02-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structures of semi-synthetic aequorins Protein Sci., 14, 2005
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2E0Z
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![BU of 2e0z by Molmil](/molmil-images/mine/2e0z) | Crystal structure of virus-like particle from Pyrococcus furiosus | Descriptor: | Virus-like particle | Authors: | Akita, F, Chong, K.T, Tanaka, H, Yamashita, E, Miyazaki, N, Nakaishi, Y, Namba, K, Ono, Y, Suzuki, M, Tsukihara, T, Nakagawa, A. | Deposit date: | 2006-10-16 | Release date: | 2007-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The Crystal Structure of a Virus-like Particle from the Hyperthermophilic Archaeon Pyrococcus furiosus Provides Insight into the Evolution of Viruses J.Mol.Biol., 368, 2007
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5ZR3
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![BU of 5zr3 by Molmil](/molmil-images/mine/5zr3) | Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide | Descriptor: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha | Authors: | Uno, T, Chong, K.T, Suzuki, T. | Deposit date: | 2018-04-23 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor. J. Med. Chem., 62, 2019
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2Q5C
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![BU of 2q5c by Molmil](/molmil-images/mine/2q5c) | Crystal structure of NtrC family transcriptional regulator from Clostridium acetobutylicum | Descriptor: | GLYCEROL, NtrC family transcriptional regulator, SULFATE ION | Authors: | Ramagopal, U.A, Dickey, M, Toro, R, Iizuka, M, Groshong, K, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-05-31 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of NtrC family transcriptional regulator from Clostridium acetobutylicum. To be Published
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3L1N
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![BU of 3l1n by Molmil](/molmil-images/mine/3l1n) | Crystal structure of Mp1p ligand binding domain 2 complexd with palmitic acid | Descriptor: | Cell wall antigen, PALMITIC ACID | Authors: | Liao, S, Tung, E.T, Zheng, W, Chong, K, Xu, Y, Bartlam, M, Rao, Z, Yuen, K.Y. | Deposit date: | 2009-12-14 | Release date: | 2010-01-05 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of the Mp1p ligand binding domain 2 reveals its function as a fatty acid-binding protein. J.Biol.Chem., 285, 2010
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1V4W
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![BU of 1v4w by Molmil](/molmil-images/mine/1v4w) | Crystal structure of bluefin tuna hemoglobin deoxy form at pH7.5 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, hemoglobin beta chain | Authors: | Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y. | Deposit date: | 2003-11-19 | Release date: | 2004-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT J.Biol.Chem., 279, 2004
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1V4X
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![BU of 1v4x by Molmil](/molmil-images/mine/1v4x) | Crystal structure of bluefin tuna hemoglobin deoxy form at pH5.0 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, hemoglobin beta chain | Authors: | Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y. | Deposit date: | 2003-11-19 | Release date: | 2004-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT J.Biol.Chem., 279, 2004
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1V4U
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![BU of 1v4u by Molmil](/molmil-images/mine/1v4u) | Crystal structure of bluefin tuna carbonmonoxy-hemoglobin | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, ... | Authors: | Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y. | Deposit date: | 2003-11-19 | Release date: | 2004-07-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT J.Biol.Chem., 279, 2004
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6LKM
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![BU of 6lkm by Molmil](/molmil-images/mine/6lkm) | Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide | Descriptor: | 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | Deposit date: | 2019-12-19 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity To be published
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1GCV
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![BU of 1gcv by Molmil](/molmil-images/mine/1gcv) | DEOXY FORM HEMOGLOBIN FROM MUSTELUS GRISEUS | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Naoi, Y, Chong, K.T, Yoshimatsu, K, Miyazaki, G, Tame, J.R.H, Park, S.Y, Adachi, S.I, Morimoto, H. | Deposit date: | 2000-08-08 | Release date: | 2000-08-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The functional similarity and structural diversity of human and cartilaginous fish hemoglobins. J.Mol.Biol., 307, 2001
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1GCW
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![BU of 1gcw by Molmil](/molmil-images/mine/1gcw) | CO form hemoglobin from mustelus griseus | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Naoi, Y, Chong, K.T, Yoshimatsu, K, Miyazaki, G, Tame, J.R.H, Park, S.Y, Adachi, S.I, Morimoto, H. | Deposit date: | 2000-08-08 | Release date: | 2000-09-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The functional similarity and structural diversity of human and cartilaginous fish hemoglobins. J.Mol.Biol., 307, 2001
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1IT3
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![BU of 1it3 by Molmil](/molmil-images/mine/1it3) | Hagfish CO ligand hemoglobin | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin | Authors: | Mito, M, Chong, K.T, Park, S.-Y, Tame, J.R. | Deposit date: | 2002-01-05 | Release date: | 2002-01-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of deoxy- and carbonmonoxyhemoglobin F1 from the hagfish Eptatretus burgeri J.Biol.Chem., 277, 2002
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6L3R
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![BU of 6l3r by Molmil](/molmil-images/mine/6l3r) | Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide | Descriptor: | 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | Deposit date: | 2019-10-15 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity To be published
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6L7L
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![BU of 6l7l by Molmil](/molmil-images/mine/6l7l) | Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide | Descriptor: | 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | Deposit date: | 2019-11-01 | Release date: | 2020-11-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity To be published
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