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6DAR
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BU of 6dar by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
3O71
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BU of 3o71 by Molmil
Crystal structure of ERK2/DCC peptide complex
分子名称: Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION
著者Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J.
登録日2010-07-30
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase
Structure, 18, 2010
2IFQ
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BU of 2ifq by Molmil
Crystal structure of S-nitroso thioredoxin
分子名称: ETHANOL, Thioredoxin
著者Weichsel, A, Montfort, W.R.
登録日2006-09-21
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Buried s-nitrosocysteine revealed in crystal structures of human thioredoxin.
Biochemistry, 46, 2007
6DAS
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BU of 6das by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
1Y0J
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BU of 1y0j by Molmil
Zinc fingers as protein recognition motifs: structural basis for the GATA-1/Friend of GATA interaction
分子名称: Erythroid transcription factor, ZINC ION, Zinc-finger protein ush
著者Liew, C.K, Simpson, R.J.Y, Kwan, A.H.Y, Crofts, L.A, Loughlin, F.E, Matthews, J.M, Crossley, M, Mackay, J.P.
登録日2004-11-15
公開日2005-01-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Zinc fingers as protein recognition motifs: Structural basis for the GATA-1/Friend of GATA interaction
Proc.Natl.Acad.Sci.Usa, 102, 2005
6AE3
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BU of 6ae3 by Molmil
Crystal structure of GSK3beta complexed with Morin
分子名称: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, GLYCEROL, Glycogen synthase kinase-3 beta
著者Kim, K.L, Cha, J.S, Kim, J.S, Ahn, J.S, Ha, N.C, Cho, H.S.
登録日2018-08-03
公開日2018-09-19
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of GSK3 beta in complex with the flavonoid, morin
Biochem. Biophys. Res. Commun., 504, 2018
4BTE
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BU of 4bte by Molmil
DJ-1 Cu(I) complex
分子名称: COPPER (I) ION, PROTEIN DJ-1
著者Puno, M.R.A, Odell, M, Moody, P.C.E.
登録日2013-06-14
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure of Cu(I)-Bound Dj-1 Reveals a Biscysteinate Metal Binding Site at the Homodimer Interface: Insights Into Mutational Inactivation of Dj-1 in Parkinsonism.
J.Am.Chem.Soc., 135, 2013
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
1V9U
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BU of 1v9u by Molmil
Human Rhinovirus 2 bound to a fragment of its cellular receptor protein
分子名称: CALCIUM ION, Coat protein VP1, Coat protein VP2, ...
著者Verdaguer, N, Fita, I, Reithmayer, M, Moser, R, Blaas, D.
登録日2004-02-03
公開日2004-05-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献X-ray structure of a minor group human rhinovirus bound to a fragment of its cellular receptor protein
NAT.STRUCT.MOL.BIOL., 11, 2004
4RM8
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BU of 4rm8 by Molmil
Crystal structure of human ezrin in space group P21
分子名称: Ezrin
著者Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-20
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
4RM9
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BU of 4rm9 by Molmil
Crystal structure of human ezrin in space group C2221
分子名称: Ezrin
著者Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-21
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
2HSH
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BU of 2hsh by Molmil
Crystal structure of C73S mutant of human thioredoxin-1 oxidized with H2O2
分子名称: PHOSPHATE ION, Thioredoxin
著者Weichsel, A, Montfort, W.R.
登録日2006-07-21
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Buried s-nitrosocysteine revealed in crystal structures of human thioredoxin.
Biochemistry, 46, 2007
2YPA
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BU of 2ypa by Molmil
Structure of the SCL:E47:LMO2:LDB1 complex bound to DNA
分子名称: EBOX FORWARD, EBOX REVERSE, LIM DOMAIN-BINDING PROTEIN 1, ...
著者El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J.
登録日2012-10-30
公開日2013-07-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets.
Cell Rep., 4, 2013
1BH8
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BU of 1bh8 by Molmil
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE
分子名称: TAFII18, TAFII28
著者Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D.
登録日1998-06-16
公開日1999-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
2YMN
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BU of 2ymn by Molmil
Organization of the Influenza Virus Replication Machinery
分子名称: NUCLEOPROTEIN
著者Moeller, A, Kirchdoerfer, R.N, Potter, C.S, Carragher, B, Wilson, I.A.
登録日2012-10-09
公開日2012-12-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Organization of the Influenza Virus Replication Machinery.
Science, 338, 2012
1BH9
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BU of 1bh9 by Molmil
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS
分子名称: PARA-MERCURY-BENZENESULFONIC ACID, TAFII18, TAFII28
著者Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D.
登録日1998-06-16
公開日1999-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
3D23
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BU of 3d23 by Molmil
Main protease of HCoV-HKU1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Zhao, Q, Chen, C, Li, S, Zou, Y.
登録日2008-05-07
公開日2008-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the main protease from a global infectious human coronavirus, HCoV-HKU1.
J.Virol., 82, 2008
6RT0
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BU of 6rt0 by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2A
分子名称: Alpha-synuclein
著者Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
登録日2019-05-22
公開日2019-06-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
6UPL
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BU of 6upl by Molmil
Structure of FACT_subnucleosome complex 2
分子名称: DNA (79-mer), FACT complex subunit SPT16, FACT complex subunit SSRP1, ...
著者Zhou, K, Tan, Y.Z, Wei, H, Liu, Y, Carragher, B, Potter, C, Luger, K.
登録日2019-10-17
公開日2019-12-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献FACT caught in the act of manipulating the nucleosome.
Nature, 577, 2020
6UPK
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BU of 6upk by Molmil
Structure of FACT_subnucleosome complex 1
分子名称: DNA (79-mer), FACT complex subunit SPT16, FACT complex subunit SSRP1, ...
著者Zhou, K, Tan, Y.Z, Wei, H, Liu, Y, Carragher, B, Potter, C, Luger, K.
登録日2019-10-17
公開日2019-12-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献FACT caught in the act of manipulating the nucleosome.
Nature, 577, 2020
2HRV
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BU of 2hrv by Molmil
2A CYSTEINE PROTEINASE FROM HUMAN RHINOVIRUS 2
分子名称: 2A CYSTEINE PROTEINASE, ZINC ION
著者Petersen, J.F.W, Cherney, M.M, Liebig, H.-D, Skern, T, Kuechler, E, James, M.N.G.
登録日1999-04-29
公開日2000-05-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structure of the 2A proteinase from a common cold virus: a proteinase responsible for the shut-off of host-cell protein synthesis.
EMBO J., 18, 1999
3C6D
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BU of 3c6d by Molmil
The pseudo-atomic structure of dengue immature virus
分子名称: Polyprotein, prM
著者Li, L.
登録日2008-02-04
公開日2008-04-08
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (12.5 Å)
主引用文献The flavivirus precursor membrane-envelope protein complex: structure and maturation
Science, 319, 2008
3VW9
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BU of 3vw9 by Molmil
Human Glyoxalase I with an N-hydroxypyridone inhibitor
分子名称: 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, ...
著者Fukami, T.A, Irie, M, Matsuura, T.
登録日2012-08-10
公開日2012-12-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
1LB1
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BU of 1lb1 by Molmil
Crystal Structure of the Dbl and Pleckstrin homology domains of Dbs in complex with RhoA
分子名称: Guanine nucleotide exchange factor DBS, Transforming protein RhoA
著者Snyder, J.T, Worthylake, D.K, Rossman, K.L, Betts, L, Pruitt, W.M, Siderovski, D.P, Der, C.J, Sondek, J.
登録日2002-04-01
公開日2002-05-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for the selective activation of Rho GTPases by Dbl exchange factors.
Nat.Struct.Biol., 9, 2002

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