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2JHX
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BU of 2jhx by Molmil
CRYSTAL STRUCTURE OF RHOGDI E155H, E157H MUTANT
分子名称: RHO GDP-DISSOCIATION INHIBITOR 1
著者Cooper, D.R, Zawadzki, M, Derewenda, Z.S.
登録日2007-02-23
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Protein Crystallization by Surface Entropy Reduction: Optimization of the Ser Strategy
Acta Crystallogr.,Sect.D, 63, 2007
6LG6
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BU of 6lg6 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1021
分子名称: Bromodomain-containing protein 4, N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
著者Xu, H, Zuo, Y.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LH4
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BU of 6lh4 by Molmil
Crystal structural of MacroD1-ADPr complex
分子名称: ADP-ribose glycohydrolase MACROD1, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Yang, X, Ma, Y, Li, Y.
登録日2019-12-06
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
6LIM
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BU of 6lim by Molmil
BRD4-BD1 bound with compound 40
分子名称: (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75909507 Å)
主引用文献BRD4-BD1 bound with compound 40
To Be Published
6LG5
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BU of 6lg5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038
分子名称: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y, Zhang, H.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
8G17
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BU of 8g17 by Molmil
CryoEM structure of wild-type GAPDH
分子名称: Glyceraldehyde-3-phosphate dehydrogenase
著者Choi, W.Y, Wu, H, Cheng, Y.F.
登録日2023-02-01
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (1.98 Å)
主引用文献Efficient tagging of endogenous proteins in human cell lines for structural studies by single-particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FCT
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BU of 8fct by Molmil
Cryo-EM structure of p97:UBXD1 lariat mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCP
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BU of 8fcp by Molmil
Cryo-EM structure of p97:UBXD1 para state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCL
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BU of 8fcl by Molmil
Cryo-EM structure of p97:UBXD1 closed state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCR
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BU of 8fcr by Molmil
Cryo-EM structure of p97:UBXD1 H4-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCQ
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BU of 8fcq by Molmil
Cryo-EM structure of p97:UBXD1 PUB-in state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCM
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BU of 8fcm by Molmil
Cryo-EM structure of p97:UBXD1 open state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
分子名称: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
著者Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
登録日2018-08-27
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.139 Å)
主引用文献HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
8VLS
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BU of 8vls by Molmil
Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form)
分子名称: (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase
著者Jones, N.H, Urnivicius, L, Kapoor, T.M.
登録日2024-01-12
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VOV
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BU of 8vov by Molmil
Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form)
分子名称: (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Jones, N.H, Urnivicius, L, Kapoor, T.M.
登録日2024-01-16
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VKU
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BU of 8vku by Molmil
Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form)
分子名称: (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase
著者Jones, N.H, Urnivicius, L, Kapoor, T.M.
登録日2024-01-09
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
6MAK
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BU of 6mak by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
分子名称: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
著者Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
登録日2018-08-27
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
2MIU
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BU of 2miu by Molmil
Structure of FHL2 LIM adaptor and its Interaction with Ski
分子名称: Four and a half LIM domains protein 2, ZINC ION
著者Yang, Y, Sun, Y, Medrano, E.E, Tian, X, Weiss, M.A.
登録日2013-12-20
公開日2014-01-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of FHL2 LIM adaptor and its Interaction with Ski
To be Published
2LY9
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BU of 2ly9 by Molmil
Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
分子名称: Zinc fingers and homeoboxes protein 1
著者Xu, X, Eletsky, A, Mills, J.L, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2012-09-14
公開日2012-11-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
To be Published
6MAU
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BU of 6mau by Molmil
Crystal structure of human BRD4(1) in complex with CN210 (compound 19)
分子名称: 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL
著者Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2018-08-28
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-21
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
2JZX
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BU of 2jzx by Molmil
PCBP2 KH1-KH2 domains
分子名称: Poly(rC)-binding protein 2
著者Du, Z, Fenn, S, Tjhen, R, James, T.
登録日2008-01-21
公開日2008-08-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the first and second KH domains of human poly-C binding protein-2 reveals insights into its regulatory mechanisms
To be Published
2K0B
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BU of 2k0b by Molmil
NMR structure of the UBA domain of p62 (SQSTM1)
分子名称: Sequestosome-1
著者Long, J.E, Ciani, B, Gallagher, T.R.A, Cavey, J.R, Sheppard, P.W, Layfield, R, Searle, M.S.
登録日2008-01-31
公開日2008-02-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Conformation and dynamics of the three-helix bundle UBA domain of p62 from experiment and simulation.
Proteins, 71, 2007
8FCO
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BU of 8fco by Molmil
Cryo-EM structure of p97:UBXD1 meta state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023

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件を2024-09-11に公開中

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