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8FF5
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BU of 8ff5 by Molmil
Cryo-EM structure of Cascade-DNA-fullRloop in type I-B CAST system
分子名称: Non-target DNA strand, Nostoc sp. 'Peltigera membranacea cyanobiont' 210A, RNA, ...
著者Chang, L, Wang, S.
登録日2022-12-07
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FF4
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BU of 8ff4 by Molmil
Cryo-EM structure of Cascade-DNA-TniQ-TnsC complex (composite) in type I-B CAST system
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-target DNA strand, ...
著者Chang, L, Wang, S.
登録日2022-12-07
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
6SMF
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BU of 6smf by Molmil
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM ZYMOMONAS MOBILIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, CITRATE ANION, ...
著者Lapthorn, A.J, Roszak, A.W.
登録日2019-08-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献Biomacromolecular charge chirality detected using chiral plasmonic nanostructures
Nanoscale Horiz., 2020
6SME
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BU of 6sme by Molmil
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM PROPIONIBACTERIUM ACNES
分子名称: 3-dehydroquinate dehydratase, GLYCEROL, SULFATE ION
著者Lapthorn, A.J, Roszak, A.W.
登録日2019-08-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biomacromolecular charge chirality detected using chiral plasmonic nanostructures
Nanoscale Horiz., 2020
5IBH
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BU of 5ibh by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
分子名称: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.
登録日2016-02-22
公開日2016-04-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.0201 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBG
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BU of 5ibg by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b
分子名称: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.
登録日2016-02-22
公開日2016-04-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBF
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BU of 5ibf by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a
分子名称: 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.
登録日2016-02-22
公開日2016-04-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
4NR9
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BU of 4nr9 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with acetylated lysine
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N(6)-ACETYLLYSINE
著者Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
3SGS
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BU of 3sgs by Molmil
Amyloid-related segment of alphaB-crystallin residues 95-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SGO
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BU of 3sgo by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.557 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SGN
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BU of 3sgn by Molmil
Bromoderivative-8 of amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SGP
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BU of 3sgp by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4016 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
4NRC
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BU of 4nrc by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ...
著者Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
3SGM
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BU of 3sgm by Molmil
Bromoderivative-2 of amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
実験手法X-RAY DIFFRACTION (1.7006 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SGR
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BU of 3sgr by Molmil
Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
7ZT0
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BU of 7zt0 by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-05-09
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZQR
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BU of 7zqr by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 4-(4-methoxyphenyl)pyridine, CHLORIDE ION, GLYCEROL, ...
著者Snee, M, Katariya, M, Tunnicliffe, R, Levy, C, Leys, D.
登録日2022-05-02
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZXD
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BU of 7zxd by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-05-20
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZSU
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BU of 7zsu by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-05-09
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZLZ
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BU of 7zlz by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-04-17
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
4NRA
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BU of 4nra by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322
分子名称: 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B
著者Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
4NRB
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BU of 4nrb by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
著者Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
6HSB
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BU of 6hsb by Molmil
The crystal structure of type II Dehydroquinase from Acidithiobacillus caldus SM-1
分子名称: 3-dehydroquinate dehydratase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL
著者Lapthorn, A.J, Roszak, A.W.
登録日2018-09-29
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
To Be Published
6HSU
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BU of 6hsu by Molmil
The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37, crystal form 2
分子名称: 3-dehydroquinate dehydratase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
著者Lapthorn, A.J, Roszak, A.W.
登録日2018-10-01
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37
To Be Published
6HSQ
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BU of 6hsq by Molmil
The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37 crystal form 1
分子名称: 3-dehydroquinate dehydratase, GLYCEROL, SULFATE ION
著者Lapthorn, A.J, Roszak, A.W.
登録日2018-10-01
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
To Be Published

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件を2024-09-11に公開中

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