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1ZOF
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BU of 1zof by Molmil
Crystal structure of alkyl hydroperoxide-reductase (AhpC) from Helicobacter Pylori
分子名称: alkyl hydroperoxide-reductase
著者Papinutto, E, Windle, H.J, Cendron, L, Battistutta, R, Kelleher, D, Zanotti, G.
登録日2005-05-13
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of alkyl hydroperoxide-reductase (AhpC) from Helicobacter pylori.
Biochim.Biophys.Acta, 1753, 2005
4Y2Q
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BU of 4y2q by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
分子名称: 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2R
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BU of 4y2r by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile
分子名称: 2-(piperazin-1-yl)pyridine-3-carbonitrile, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2X
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BU of 4y2x by Molmil
Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol
分子名称: 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2Y
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BU of 4y2y by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine
分子名称: 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2U
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BU of 4y2u by Molmil
Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2J
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BU of 4y2j by Molmil
Structure of soluble epoxide hydrolase in complex with N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2P
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BU of 4y2p by Molmil
Structure of soluble epoxide hydrolase in complex with N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2T
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BU of 4y2t by Molmil
Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol
分子名称: 3-[4-(benzyloxy)phenyl]propan-1-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4YV2
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BU of 4yv2 by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-phenyl-1,2-thiazol-3(2H)-one
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-phenyl-3-sulfanylpropanamide, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
4YV1
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BU of 4yv1 by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with quinolin-8-yl piperidine-1-carboxylate
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
4YUX
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BU of 4yux by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2H-1,4-benzothiazin-3-amine
分子名称: 2H-1,4-benzothiazin-3-amine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4Z8W
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BU of 4z8w by Molmil
Crystal Structure of the Major Plantain Pollen Allergen Pla l 1
分子名称: Major pollen allergen Pla l 1, ZINC ION
著者Freier, R, Brandstetter, H.
登録日2015-04-09
公開日2016-07-06
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of Pla l 1 reveals both structural similarity and allergenic divergence within the Ole e 1-like protein family.
J. Allergy Clin. Immunol., 140, 2017
8TBE
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BU of 8tbe by Molmil
Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir
分子名称: 3C-like proteinase nsp5, Pomotrelvir bound form
著者Olland, A, Fontano, E, White, A.
登録日2023-06-28
公開日2023-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Antimicrob.Agents Chemother., 67, 2023
4YUY
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BU of 4yuy by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with isoquinolin-1-amine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ISOQUINOLIN-1-AMINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4Y2V
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BU of 4y2v by Molmil
Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
分子名称: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2S
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BU of 4y2s by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
分子名称: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4YUW
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BU of 4yuw by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with trans-4-methylcyclohexylamine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
7LS3
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BU of 7ls3 by Molmil
Co-complex CYP46A1 with 8114 (3f)
分子名称: (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
著者Lane, W, Yano, J.
登録日2021-02-17
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
7LRL
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BU of 7lrl by Molmil
Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935))
分子名称: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
著者Lane, W, Yano, J.
登録日2021-02-16
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
7LS4
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BU of 7ls4 by Molmil
Co-complex CYP46A1 with 9129 (1b)
分子名称: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone
著者Lane, W, Yano, J.
登録日2021-02-17
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
4YUZ
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BU of 4yuz by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4YUV
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BU of 4yuv by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with decarboxylated S-adenosylmethionine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4YV0
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BU of 4yv0 by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine- 2-carboxamid
分子名称: (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
7EK9
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BU of 7ek9 by Molmil
Crystal structure of apo streptavidin at cryogenic temperature
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Streptavidin
著者DeMirci, H, Ayan, E, Destan, E, Ertem, F.B.
登録日2021-04-04
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of apo streptavidin at cryogenic temperature
To Be Published

224201

件を2024-08-28に公開中

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