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1AA3
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BU of 1aa3 by Molmil
C-TERMINAL DOMAIN OF THE E. COLI RECA, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: RECA
著者Aihara, H, Ito, Y, Kurumizaka, H, Terada, T, Yokoyama, S, Shibata, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日1997-01-22
公開日1997-07-23
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献An interaction between a specified surface of the C-terminal domain of RecA protein and double-stranded DNA for homologous pairing.
J.Mol.Biol., 274, 1997
1B22
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BU of 1b22 by Molmil
RAD51 (N-TERMINAL DOMAIN)
分子名称: DNA REPAIR PROTEIN RAD51
著者Aihara, H, Ito, Y, Kurumizaka, H, Yokoyama, S, Shibata, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日1998-12-04
公開日1999-12-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The N-terminal domain of the human Rad51 protein binds DNA: structure and a DNA binding surface as revealed by NMR.
J.Mol.Biol., 290, 1999
1P7D
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BU of 1p7d by Molmil
Crystal structure of the Lambda Integrase (residues 75-356) bound to DNA
分子名称: 26-MER, 5'-D(*CP*AP*AP*TP*GP*CP*CP*AP*AP*CP*TP*TP*T)-3', Integrase
著者Aihara, H, Kwon, H.J, Nunes-Duby, S.E, Landy, A, Ellenberger, T.
登録日2003-05-01
公開日2003-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A Conformational Switch Controls the DNA Cleavage Activity of Lambda Integrase
Mol.Cell, 12, 2003
2V6E
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BU of 2v6e by Molmil
protelomerase TelK complexed with substrate DNA
分子名称: PROTELEMORASE, TELRL, VANADATE ION
著者Aihara, H, Huang, W.M, Ellenberger, T.
登録日2007-07-17
公開日2007-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An Interlocked Dimer of the Protelomerase Telk Distorts DNA Structure for the Formation of Hairpin Telomeres
Mol.Cell, 27, 2007
6DFY
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BU of 6dfy by Molmil
Remodeled crystal structure of DNA-bound DUX4-HD2
分子名称: DNA (5'-D(*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*A)-3'), Double homeobox protein 4
著者Aihara, H, Shi, K.
登録日2018-05-15
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Comment on structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
8SBM
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BU of 8sbm by Molmil
Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS
分子名称: 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ...
著者Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A.
登録日2023-04-03
公開日2023-11-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid.
Biochemistry, 62, 2023
6U82
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BU of 6u82 by Molmil
Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer containing bulge and loop
分子名称: DNA (38-MER), Double homeobox protein 4
著者Shi, K, Aihara, H.
登録日2019-09-04
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
4YJ0
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BU of 4yj0 by Molmil
Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA
分子名称: DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION
著者Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J.
登録日2015-03-02
公開日2015-05-27
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (3.814 Å)
主引用文献An ancient protein-DNA interaction underlying metazoan sex determination.
Nat.Struct.Mol.Biol., 22, 2015
8SPH
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BU of 8sph by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, W, Shi, K, Aihara, H, Li, F.
登録日2023-05-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SPI
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BU of 8spi by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, W, Shi, K, Aihara, H, Li, F.
登録日2023-05-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
4NQ3
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BU of 4nq3 by Molmil
Crystal structure of cyanuic acid hydrolase from A. caulinodans
分子名称: BARBITURIC ACID, Cyanuric acid amidohydrolase, MAGNESIUM ION, ...
著者Cho, S, Shi, K, Aihara, H.
登録日2013-11-23
公開日2014-09-10
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Cyanuric acid hydrolase from Azorhizobium caulinodans ORS 571: crystal structure and insights into a new class of Ser-Lys dyad proteins.
Plos One, 9, 2014
7MLS
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BU of 7mls by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23)
分子名称: 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ...
著者Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-04-28
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
7MLQ
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BU of 7mlq by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26)
分子名称: 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ...
著者Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-04-28
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
7MLR
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BU of 7mlr by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34)
分子名称: 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ...
著者Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-04-28
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
6X6O
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BU of 6x6o by Molmil
Crystal structure of T4 protein Spackle as determined by native SAD phasing
分子名称: CHLORIDE ION, Protein spackle
著者Shi, K, Kurniawan, F, Banerjee, S, Moeller, N.H, Aihara, H.
登録日2020-05-28
公開日2020-09-16
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of bacteriophage T4 Spackle as determined by native SAD phasing.
Acta Crystallogr D Struct Biol, 76, 2020
6XC1
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BU of 6xc1 by Molmil
Crystal structure of bacteriophage T4 spackle and lysozyme in orthorhombic form
分子名称: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Lysozyme, ...
著者Shi, K, Oakland, J.T, Kurniawan, F, Moeller, N.H, Aihara, H.
登録日2020-06-07
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis of superinfection exclusion by bacteriophage T4 Spackle.
Commun Biol, 3, 2020
6XC0
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BU of 6xc0 by Molmil
Crystal structure of bacteriophage T4 spackle and lysozyme in monoclinic form
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Shi, K, Oakland, J.T, Kurniawan, F, Moeller, N.H, Aihara, H.
登録日2020-06-07
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis of superinfection exclusion by bacteriophage T4 Spackle.
Commun Biol, 3, 2020
6O44
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BU of 6o44 by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Nattokinase, ...
著者Tang, H, Shi, K, Aihara, H.
登録日2019-02-28
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis.
Biochem. Biophys. Res. Commun., 512, 2019
6PAK
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BU of 6pak by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E
著者Tang, H, Shi, K, Aihara, H.
登録日2019-06-11
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy.
J.Biol.Chem., 294, 2019
7R9C
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BU of 7r9c by Molmil
Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-06-29
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXR
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BU of 7rxr by Molmil
Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
分子名称: 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
著者Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-23
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXS
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BU of 7rxs by Molmil
Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
分子名称: 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
著者Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-23
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXT
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BU of 7rxt by Molmil
Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
分子名称: 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
著者Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-23
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
5HX5
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BU of 5hx5 by Molmil
APOBEC3F Catalytic Domain Crystal Structure
分子名称: DNA dC->dU-editing enzyme APOBEC-3F, ZINC ION
著者Shaban, N.M, Shi, K, Aihara, H, Harris, R.S.
登録日2016-01-29
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献1.92 Angstrom Zinc-Free APOBEC3F Catalytic Domain Crystal Structure.
J.Mol.Biol., 428, 2016
5HX4
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Zinc-Free APOBEC3F Catalytic Domain Crystal Structure
分子名称: DNA dC->dU-editing enzyme APOBEC-3F
著者Shaban, N.M, Shi, K, Aihara, H, Harris, R.S.
登録日2016-01-29
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献1.92 Angstrom Zinc-Free APOBEC3F Catalytic Domain Crystal Structure.
J.Mol.Biol., 428, 2016

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