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5F12
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BU of 5f12 by Molmil
WrbA in complex with FMN under crystallization conditions of WrbA-FMN-BQ structure (4YQE)
分子名称: FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone)
著者Degtjarik, O, Brynda, J, Ettrichova, O, Kuta Smatanova, I, Carey, J, Ettrich, R.
登録日2015-11-29
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
J.Phys.Chem.B, 120, 2016
4PAC
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BU of 4pac by Molmil
Crystal Structure of Histidine-containing Phosphotransfer Protein AHP2 from Arabidopsis thaliana
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histidine-containing phosphotransfer protein 2, IMIDAZOLE
著者Degtjarik, O, Dopitova, R, Puehringer, S, Weiss, M.S, Janda, L, Hejatko, J, Kuta-Smatanova, I.
登録日2014-04-08
公開日2015-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structure of AHP2 from Arabidopsis thaliana
To Be Published
4WDQ
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BU of 4wdq by Molmil
Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26
分子名称: CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION
著者Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I.
登録日2014-09-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
4WDR
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BU of 4wdr by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26
分子名称: CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase
著者Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I.
登録日2014-09-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
4YQE
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BU of 4yqe by Molmil
Crystal structure of E. coli WrbA in complex with benzoquinone
分子名称: 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone)
著者Degtjarik, O, Brynda, J, Ettrichova, O, Carey, J, Kuta Smatanova, I, Ettrich, R.
登録日2015-03-13
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
J.Phys.Chem.B, 120, 2016
7B48
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BU of 7b48 by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to MQ: R273H-MQ (II)
分子名称: (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Degtjarik, O, Rozenberg, H, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4B
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BU of 7b4b by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C mutant bound to MQ: R273C-MQ (I)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ...
著者Degtjarik, O, Rozenberg, H, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4G
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BU of 7b4g by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (II)
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ...
著者Degtjarik, O, Rozenberg, H, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4H
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BU of 7b4h by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (III)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ...
著者Degtjarik, O, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4E
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BU of 7b4e by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA and MQ: R282W-DNA-MQ
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ...
著者Degtjarik, O, Rozenberg, H, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B47
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BU of 7b47 by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to MQ: R273H-MQ (I)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Degtjarik, O, Rozenberg, H, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B46
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BU of 7b46 by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (P1)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, ACETATE ION, ...
著者Degtjarik, O, Rozenberg, H, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4C
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BU of 7b4c by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C mutant bound to MQ: R273C-MQ (II)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ...
著者Degtjarik, O, Rozenberg, H, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
5LKA
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BU of 5lka by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution
分子名称: Haloalkane dehalogenase, THIOCYANATE ION
著者Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
登録日2016-07-21
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Engineering a de novo transport tunnel.
Acs Catalysis, 2016
8B0K
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BU of 8b0k by Molmil
Cryo-EM structure of apolipoprotein N-acyltransferase Lnt from E. coli (Apo form)
分子名称: Apolipoprotein N-acyltransferase
著者Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M.
登録日2022-09-07
公開日2023-07-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
8B0O
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BU of 8b0o by Molmil
Cryo-EM structure apolipoprotein N-acyltransferase Lnt from E.coli in complex with FP3
分子名称: Apolipoprotein N-acyltransferase, [(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
著者Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M.
登録日2022-09-07
公開日2023-07-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
8B0L
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BU of 8b0l by Molmil
Cryo-EM structure of apolipoprotein N-acyltransferase Lnt from E. coli in complex with PE
分子名称: Apolipoprotein N-acyltransferase, PHOSPHATIDYLETHANOLAMINE
著者Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M.
登録日2022-09-07
公開日2023-07-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
8B0M
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BU of 8b0m by Molmil
Cryo-EM structure of apolipoprotein N-acyltransferase Lnt from E. coli in complex with PE (C387S mutant)
分子名称: Apolipoprotein N-acyltransferase, PHOSPHATIDYLETHANOLAMINE
著者Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M.
登録日2022-09-07
公開日2023-07-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
8B0N
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BU of 8b0n by Molmil
Cryo-EM structure of apolipoprotein N-acyltransferase Lnt from E. coli in complex with Lyso-PE
分子名称: Apolipoprotein N-acyltransferase, [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate
著者Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M.
登録日2022-09-07
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
8B0P
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BU of 8b0p by Molmil
Cryo-EM structure of apolipoprotein N-acyltransferase Lnt from E. coli in complex with Pam3
分子名称: Apolipoprotein N-acyltransferase, Pam3-SKKKK, [(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
著者Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M.
登録日2022-09-07
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
6ZNC
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BU of 6znc by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z.
登録日2020-07-06
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7AUE
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BU of 7aue by Molmil
Melanocortin receptor 4 (MC4R) Gs protein complex
分子名称: AMINOSERINE, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Degtjarik, O, Israeli, H, Prabahar, V, Shalev-Benami, M.
登録日2020-11-02
公開日2021-04-28
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure reveals the activation mechanism of the MC4 receptor to initiate satiation signaling.
Science, 372, 2021
7B4D
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BU of 7b4d by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4N
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BU of 7b4n by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B49
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Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ...
著者Rozenberg, H, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021

 

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