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8HV3
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BU of 8hv3 by Molmil
Crystal structure of EGFR_DMX in complex with covalently bound fragment 4
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV9
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BU of 8hv9 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 12
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
6KZX
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BU of 6kzx by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
7WBT
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BU of 7wbt by Molmil
Crystal structure of bovine NLRP9
分子名称: ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 9
著者Kamitsukasa, Y, Shimizu, T, Ohto, U.
登録日2021-12-17
公開日2022-04-06
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The structure of NLRP9 reveals a unique C-terminal region with putative regulatory function.
Febs Lett., 596, 2022
7WBU
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BU of 7wbu by Molmil
Cryo-EM structure of bovine NLRP9
分子名称: ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 9
著者Kamitsukasa, Y, Shimizu, T, Ohto, U.
登録日2021-12-17
公開日2022-04-06
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献The structure of NLRP9 reveals a unique C-terminal region with putative regulatory function.
Febs Lett., 596, 2022
6L01
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BU of 6l01 by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6KZV
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BU of 6kzv by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: DNA gyrase subunit B, ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide
著者Mima, M, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6KZZ
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BU of 6kzz by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
1RT8
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BU of 1rt8 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN
分子名称: SULFATE ION, fimbrin
著者Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C.
登録日2003-12-10
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
2ZYE
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BU of 2zye by Molmil
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography
分子名称: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease
著者Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R.
登録日2009-01-20
公開日2009-03-24
最終更新日2024-05-29
実験手法NEUTRON DIFFRACTION (1.9 Å)
主引用文献Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
3ABH
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BU of 3abh by Molmil
Crystal structure of the EFC/F-BAR domain of human PACSIN2/Syndapin II (2.0 A)
分子名称: Protein kinase C and casein kinase substrate in neurons protein 2
著者Shimada, A, Shirouzu, M, Hanawa-Suetsugu, K, Terada, T, Umehara, T, Suetsugu, S, Yamamoto, M, Yokoyama, S.
登録日2009-12-11
公開日2010-04-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping of the basic amino-acid residues responsible for tubulation and cellular protrusion by the EFC/F-BAR domain of pacsin2/Syndapin II
Febs Lett., 584, 2010
3ACO
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BU of 3aco by Molmil
Crystal structure of the EFC/F-BAR domain of human PACSIN2/Syndapin II (2.7 A)
分子名称: CALCIUM ION, Protein kinase C and casein kinase substrate in neurons protein 2
著者Shimada, A, Shirouzu, M, Hanawa-Suetsugu, K, Terada, T, Umehara, T, Suetsugu, S, Yamamoto, M, Yokoyama, S.
登録日2010-01-07
公開日2010-04-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mapping of the basic amino-acid residues responsible for tubulation and cellular protrusion by the EFC/F-BAR domain of pacsin2/Syndapin II
Febs Lett., 584, 2010
2DVR
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BU of 2dvr by Molmil
Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide
分子名称: bromodomain-containing protein 2, histone H4
著者Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-01
公開日2007-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
2DVS
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BU of 2dvs by Molmil
Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide
分子名称: bromodomain-containing protein 2, histone H4
著者Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-01
公開日2007-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
2E3K
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BU of 2e3k by Molmil
Crystal structure of the human Brd2 second bromodomain in complexed with the acetylated histone H4 peptide
分子名称: 15-mer peptide from Histone H4, Bromodomain-containing protein 2
著者Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-11-27
公開日2007-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for diacetylated histone H4 tail recognition by the second bromodomain of human BRD2
To be Published
2DVQ
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BU of 2dvq by Molmil
Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide
分子名称: Bromodomain-containing protein 2, histone H4
著者Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-01
公開日2007-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
3VN5
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BU of 3vn5 by Molmil
Crystal structure of Aquifex aeolicus RNase H3
分子名称: Ribonuclease HIII
著者Jongruja, N, You, D.J, Eiko, K, Angkawidjaja, C, Koga, Y, Takano, K, Kanaya, S.
登録日2011-12-22
公開日2012-12-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure and characterization of RNase H3 from Aquifex aeolicus
Febs J., 279, 2012
1VFL
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BU of 1vfl by Molmil
Adenosine deaminase
分子名称: Adenosine deaminase, ZINC ION
著者Kinoshita, T.
登録日2004-04-16
公開日2005-08-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Compound Recognition by Adenosine Deaminase
Biochemistry, 44, 2005
2ZJ7
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BU of 2zj7 by Molmil
Crystal structure of D157A mutant of Pseudomonas sp. MIS38 lipase
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Angkawidjaja, C, Kuwahara, K, Kanaya, S.
登録日2008-02-29
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Importance of the Ca2+-binding sites in the N-catalytic domain of a family I.3 lipase for activity and stability
Protein Eng.Des.Sel., 21, 2008
2ZJ6
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BU of 2zj6 by Molmil
Crystal structure of D337A mutant of Pseudomonas sp. MIS38 lipase
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Angkawidjaja, C, Kuwahara, K, Kanaya, S.
登録日2008-02-29
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Importance of the Ca2+-binding sites in the N-catalytic domain of a family I.3 lipase for activity and stability
Protein Eng.Des.Sel., 21, 2008
1WXY
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BU of 1wxy by Molmil
Crystal structure of adenosine deaminase ligated with a potent inhibitor
分子名称: Adenosine deaminase, N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE, ZINC ION
著者Kinoshita, T.
登録日2005-02-02
公開日2005-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Compound Recognition by Adenosine Deaminase
Biochemistry, 44, 2005
3AQO
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BU of 3aqo by Molmil
Structure and function of a membrane component SecDF that enhances protein export
分子名称: Probable SecDF protein-export membrane protein
著者Echizen, Y, Tsukazaki, T, Ishitani, R, Nureki, O.
登録日2010-11-16
公開日2011-05-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and function of a membrane component SecDF that enhances protein export.
Nature, 474, 2011
6K76
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BU of 6k76 by Molmil
Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate.
分子名称: Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Koga, Y, Angkawidjaja, C, Matsumura, H, Hokao, R.
登録日2019-06-06
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural analysis of hexameric structure of glycerol kinase from Thermococcus kodakaraeinsis KOD1
To Be Published
6K79
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BU of 6k79 by Molmil
Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate.
分子名称: GLYCEROL, Glycerol kinase, TRIETHYLENE GLYCOL
著者Koga, Y, Angkawidjaja, C, Matsumura, H, Hokao, R.
登録日2019-06-06
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural analysis of hexameric structure of glycerol kinase from Thermococcus kodakaraeinsis KOD1
To Be Published
6K78
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BU of 6k78 by Molmil
Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate.
分子名称: GLYCEROL, Glycerol kinase, TRIETHYLENE GLYCOL
著者Koga, Y, Angkawidjaja, C, Matsumura, H, Hokao, R.
登録日2019-06-06
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural analysis of hexameric structure of glycerol kinase from Thermococcus kodakaraeinsis KOD1
To Be Published

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