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4ERP
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BU of 4erp by Molmil
Crystal structure of a gemcitabine-diphosphate inhibited E. coli class Ia ribonucleotide reductase complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 subunit alpha, ...
著者Zimanyi, C.M, Drennan, C.L.
登録日2012-04-20
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.45 Å)
主引用文献Tangled up in knots: structures of inactivated forms of E. coli class Ia ribonucleotide reductase.
Structure, 20, 2012
5FSI
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BU of 5fsi by Molmil
MTH1 substrate recognition: Complex with 8-oxo-dGTP.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
4ERM
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BU of 4erm by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex at 4 Angstroms resolution
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zimanyi, C.M, Drennan, C.L.
登録日2012-04-20
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Tangled up in knots: structures of inactivated forms of E. coli class Ia ribonucleotide reductase.
Structure, 20, 2012
5FSK
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BU of 5fsk by Molmil
MTH1 substrate recognition: Complex with 8-oxo-dGTP.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSM
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BU of 5fsm by Molmil
MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
4B2I
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BU of 4b2i by Molmil
Humanised monomeric RadA in complex with indazole
分子名称: 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
著者Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
登録日2012-07-16
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B3D
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BU of 4b3d by Molmil
Humanised monomeric RadA in complex with 5-methyl indole
分子名称: 5-METHYL INDOLE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
著者Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
登録日2012-07-23
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
2M3A
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BU of 2m3a by Molmil
NMR solution structure of a MYB-like DNA binding domain of KNL-2 from C. Elegans
分子名称: Protein KNL-2
著者Osborne, M.J, Borden, L.B.
登録日2013-01-15
公開日2014-04-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Centromere epigenome stability is mediated by structural recognition by the Centromere Licensing Complex
To be Published
8H68
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BU of 8h68 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with NOG and Mg(II)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Shi, Y, Ding, J, Yang, H.
登録日2022-10-16
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Caenorhabditis elegans NMAD-1 functions as a demethylase for actin.
J Mol Cell Biol, 15, 2023
5FSN
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BU of 5fsn by Molmil
MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol.
分子名称: 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
7XYF
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BU of 7xyf by Molmil
Cryo-EM structure of Fft3-nucleosome complex with Fft3 bound to SHL+2 position of the nucleosome
分子名称: ATP-dependent helicase fft3, DNA (167-MER), Histone H2A, ...
著者Nan, Z, Tao, J, Yangao, H.
登録日2022-06-01
公開日2023-12-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of Fft3-nucleosome complex with Fft3 bound to SHL+2 position of the nucleosome (Class I Fft3-nucleosome complex)
To Be Published
4B34
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BU of 4b34 by Molmil
Humanised monomeric RadA in complex with 2-amino benzothiazole
分子名称: 1,3-benzothiazol-2-amine, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
著者Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
登録日2012-07-20
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B33
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BU of 4b33 by Molmil
Humanised monomeric RadA in complex with napht-2-ol
分子名称: 1-NAPHTHOL, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
著者Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
登録日2012-07-20
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
7SUK
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BU of 7suk by Molmil
Structure of Bfr2-Lcp5 Complex Observed in the Small Subunit Processome Isolated from R2TP-depleted Yeast Cells
分子名称: 18S pre-rRNA, 40S ribosomal protein S11-A, 40S ribosomal protein S13, ...
著者Rai, J, Zhao, Y, Li, H.
登録日2021-11-17
公開日2022-07-06
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Artificial intelligence-assisted cryoEM structure of Bfr2-Lcp5 complex observed in the yeast small subunit processome.
Commun Biol, 5, 2022
5FSL
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BU of 5fsl by Molmil
MTH1 substrate recognition: Complex with a methylaminopurinone
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE, SULFATE ION
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
2O99
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BU of 2o99 by Molmil
The crystal structure of E.coli IclR C-terminal fragment in complex with glyoxylate
分子名称: 1,2-ETHANEDIOL, Acetate operon repressor, GLYCOLIC ACID
著者Lunin, V.V, Ezersky, A, Evdokimova, E, Kudritska, M, Savchenko, A.
登録日2006-12-13
公開日2007-04-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Glyoxylate and Pyruvate Are Antagonistic Effectors of the Escherichia coli IclR Transcriptional Regulator.
J.Biol.Chem., 282, 2007
5FSO
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BU of 5fso by Molmil
MTH1 substrate recognition: Complex with a methylaminopyrimidinedione.
分子名称: 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2017-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
5HM5
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BU of 5hm5 by Molmil
Crystal structure of Topo-97, an N-terminal 97kDa fragment of topoisomerase V
分子名称: Topoisomerase V
著者Rajan, R, Osterman, A, Mondragon, A.
登録日2016-01-15
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Methanopyrus kandleri topoisomerase V contains three distinct AP lyase active sites in addition to the topoisomerase active site.
Nucleic Acids Res., 44, 2016
5D17
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BU of 5d17 by Molmil
Structure of the C-terminal domain of TnsE at 2.85 resolution
分子名称: Transposon Tn7 transposition protein TnsE
著者Guarne, A, Caron, J.J.
登録日2015-08-03
公開日2015-09-30
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Conformational toggling controls target site choice for the heteromeric transposase element Tn7.
Nucleic Acids Res., 43, 2015
6JVN
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BU of 6jvn by Molmil
Crystal structure of human MTH1 in complex with compound MI1020
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
2O9A
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BU of 2o9a by Molmil
The crystal structure of the E.coli IclR C-terminal fragment in complex with pyruvate.
分子名称: 1,2-ETHANEDIOL, Acetate operon repressor, PYRUVIC ACID
著者Lunin, V.V, Ezersky, A, Evdokimova, E, Kudritska, M, Savchenko, A.
登録日2006-12-13
公開日2007-04-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glyoxylate and Pyruvate Are Antagonistic Effectors of the Escherichia coli IclR Transcriptional Regulator.
J.Biol.Chem., 282, 2007
6JVS
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BU of 6jvs by Molmil
Crystal structure of human MTH1 in complex with compound MI1029
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVK
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BU of 6jvk by Molmil
Crystal structure of human MTH1 in complex with compound MI1012
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVT
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BU of 6jvt by Molmil
Crystal structure of human MTH1 in complex with compound MI1030
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVJ
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BU of 6jvj by Molmil
Crystal structure of human MTH1 in complex with compound MI1006
分子名称: 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021

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