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7OSQ
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Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
分子名称: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-09
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
6X7Q
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Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA
分子名称: CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ...
著者Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R.
登録日2020-05-30
公開日2021-06-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
6X7R
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E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R.
登録日2020-05-30
公開日2021-06-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
6Y6T
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Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 4.6
分子名称: (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Deane, J.E, McLoughlin, J.
登録日2020-02-27
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase.
Acs Med.Chem.Lett., 12, 2021
6Y6S
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Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 6.8
分子名称: (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Deane, J.E, McLoughlin, J.
登録日2020-02-27
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase.
Acs Med.Chem.Lett., 12, 2021
7QNC
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Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with THIP (gaboxadol), histamine and nanobody Nb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN5
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Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with nanobody Nb25
分子名称: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN7
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Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with GABA, histamine and nanobody Nb25
分子名称: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QNE
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Cryo-EM structure of human full-length synaptic alpha1beta3gamma2 GABA(A)R in complex with Ro15-4513 and megabody Mb38
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QND
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Cryo-EM structure of human full-length extrasynaptic beta3delta GABA(A)R in complex with THIP (gaboxadol), histamine and nanobody Nb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QNB
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Cryo-EM structure of human full-length beta3gamma2 GABA(A)R in complex with GABA and nanobody Nb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QNA
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Cryo-EM structure of human full-length alpha4beta3gamma2 GABA(A)R in complex with GABA and nanobody Nb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN8
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BU of 7qn8 by Molmil
Cryo-EM structure of human full-length beta3delta GABA(A)R in complex with histamine and nanobody Nb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN6
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BU of 7qn6 by Molmil
Cryo-EM structure of human full-length beta3delta GABA(A)R in complex with nanobody Nb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN9
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BU of 7qn9 by Molmil
Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with GABA, histamine and nanobody Nb25 in a pre-open/closed state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
5M1X
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Crystal structure of S. cerevisiae Rfa1 N-OB domain mutant (K45E)
分子名称: Replication factor A protein 1
著者Seeber, A, Hegnauer, A.M, Hustedt, N, Deshpande, I, Poli, J, Eglinger, J, Pasero, P, Gut, H, Shinohara, M, Hopfner, K.P, Shimada, K, Gasser, S.M.
登録日2016-10-11
公開日2016-12-07
最終更新日2016-12-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RPA Mediates Recruitment of MRX to Forks and Double-Strand Breaks to Hold Sister Chromatids Together.
Mol. Cell, 64, 2016
6G7J
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Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
6G7I
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Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
6G7K
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BU of 6g7k by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
8F6T
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BU of 8f6t by Molmil
Cryo-EM structure of alkane 1-monooxygenase AlkB-AlkG complex from Fontimonas thermophila
分子名称: Alkane 1-monooxygenase, DODECANE, FE (III) ION
著者Chai, J, Guo, G, McSweeney, S, Shanklin, J, Liu, Q.
登録日2022-11-17
公開日2023-04-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural basis for enzymatic terminal C-H bond functionalization of alkanes.
Nat.Struct.Mol.Biol., 30, 2023
8GHT
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Cryo-electron microscopy structure of the zinc transporter from Bordetella bronchiseptica
分子名称: CADMIUM ION, PHOSPHATIDYLETHANOLAMINE, Putative membrane protein
著者Liu, Q, Chai, J, Pang, C.X, Shanklin, J.
登録日2023-03-12
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural mechanism of intracellular autoregulation of zinc uptake in ZIP transporters.
Nat Commun, 14, 2023
6F23
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Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative)
分子名称: 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ...
著者Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F20
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Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative)
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ...
著者Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F22
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Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative)
分子名称: (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F1X
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Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)
分子名称: 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018

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