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3VS7
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BU of 3vs7 by Molmil
Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
分子名称: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Honda, K, Niwa, H, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS1
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BU of 3vs1 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
分子名称: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS4
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BU of 3vs4 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS0
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BU of 3vs0 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
分子名称: CALCIUM ION, CHLORIDE ION, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide, ...
著者Kuratani, M, Honda, K, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.934 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS3
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BU of 3vs3 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomaebchi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS5
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BU of 3vs5 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, Tyrosine-protein kinase HCK
著者Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS6
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BU of 3vs6 by Molmil
Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
分子名称: CALCIUM ION, CHLORIDE ION, Tyrosine-protein kinase HCK, ...
著者Kuratani, M, Honda, K, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.373 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
8Y2S
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BU of 8y2s by Molmil
P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid
分子名称: 3-methyl-4-oxidanyl-benzoic acid, 4-hydroxybenzoate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K.
登録日2024-01-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional Enhancement of Flavin-Containing Monooxygenase through Machine Learning Methodology
Acs Catalysis, 14, 2024
7QWM
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BU of 7qwm by Molmil
TMEM106B filaments with Fold III from Multiple system atrophy (case 17)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-25
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QVF
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BU of 7qvf by Molmil
TMEM106B filaments with Fold I-d from Multiple system atrophy (case 18)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-21
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QVC
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BU of 7qvc by Molmil
TMEM106B filaments with Fold I from Alzheimer's disease (case 1)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-21
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QWG
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BU of 7qwg by Molmil
TMEM106B filaments with Fold IIa from Multiple system atrophy (case 19)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-25
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QWL
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BU of 7qwl by Molmil
TMEM106B filaments with Fold IIb from Multiple system atrophy (case 19)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-25
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
4ZLF
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BU of 4zlf by Molmil
Cellobionic acid phosphorylase - cellobionic acid complex
分子名称: 4-O-beta-D-glucopyranosyl-D-gluconic acid, CHLORIDE ION, GLYCEROL, ...
著者Nam, Y.W, Arakawa, T, Fushinobu, S.
登録日2015-05-01
公開日2015-06-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
4ZLI
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BU of 4zli by Molmil
Cellobionic acid phosphorylase - 3-O-beta-D-glucopyranosyl-alpha-D-glucopyranuronic acid complex
分子名称: CHLORIDE ION, GLYCEROL, Putative b-glycan phosphorylase, ...
著者Nam, Y.W, Arakawa, T, Fushinobu, S.
登録日2015-05-01
公開日2015-06-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
4ZLE
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BU of 4zle by Molmil
Cellobionic acid phosphorylase - ligand free structure
分子名称: CHLORIDE ION, GLYCEROL, Putative b-glycan phosphorylase, ...
著者Nam, Y.W, Arakawa, T, Fushinobu, S.
登録日2015-05-01
公開日2015-06-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
4ZLG
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BU of 4zlg by Molmil
Cellobionic acid phosphorylase - gluconic acid complex
分子名称: CHLORIDE ION, D-gluconic acid, D-glucono-1,5-lactone, ...
著者Nam, Y.W, Arakawa, T, Fushinobu, S.
登録日2015-05-01
公開日2015-06-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
5GK2
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BU of 5gk2 by Molmil
The structure of the H302A mutant of StlD
分子名称: Ketosynthase StlD
著者Mori, T, Dngfeng, Y, Morita, H, Abe, I.
登録日2016-07-03
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural Insight into the Enzymatic Formation of Bacterial Stilbene.
Cell Chem Biol, 23, 2016
5X23
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BU of 5x23 by Molmil
Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-01-30
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5X24
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BU of 5x24 by Molmil
Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-01-30
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5XXI
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BU of 5xxi by Molmil
Crystal structure of CYP2C9 in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-07-04
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
6LYC
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BU of 6lyc by Molmil
Crystal structure of the NOD SIRPa complex with D4-2
分子名称: ACETIC ACID, D4-2, SIRPa of the NOD mouse strain
著者Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T.
登録日2020-02-14
公開日2020-07-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy.
Cell Chem Biol, 27, 2020
7D6J
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BU of 7d6j by Molmil
Human serum albumin complexed with benzbromarone
分子名称: Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
著者Kawai, A, Yamasaki, K.
登録日2020-09-30
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions.
Mol Pharm., 18, 2021
4Z2G
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BU of 4z2g by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 26
分子名称: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate, Chitinase B
著者Maita, N, Sugawara, A, Sunazuka, T.
登録日2015-03-30
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
4Z2J
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BU of 4z2j by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 31
分子名称: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ...
著者Maita, N, Sugawara, A, Sunazuka, T.
登録日2015-03-30
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015

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