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5CIO
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BU of 5cio by Molmil
Crystal structure of PqqF
分子名称: ZINC ION, pyrroloquinoline quinone biosynthesis protein PqqF
著者Wei, Q, Xu, D, Ran, T, Wang, W.
登録日2015-07-13
公開日2016-06-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Function of PqqF Protein in the Pyrroloquinoline Quinone Biosynthetic Pathway
J.Biol.Chem., 291, 2016
5AD3
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BU of 5ad3 by Molmil
Bivalent binding to BET bromodomains
分子名称: 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
5YIM
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BU of 5yim by Molmil
Structure of a Legionella effector
分子名称: SdeA
著者Feng, Y, Dong, Y, Wang, W.
登録日2017-10-05
公開日2018-05-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.394 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
4G5Q
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BU of 4g5q by Molmil
Structure of LGN GL4/Galphai1 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
7ESX
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BU of 7esx by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip
分子名称: Bacteria factor 1
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESY
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BU of 7esy by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip
分子名称: Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESZ
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BU of 7esz by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip
分子名称: BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.476 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ET0
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BU of 7et0 by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip
分子名称: Bacteria factor A, Bacteria factor B
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
5CZW
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BU of 5czw by Molmil
Crystal structure of myroilysin
分子名称: Myroilysin, ZINC ION
著者Zhou, J, Ran, T, Xu, D, Wang, W.
登録日2015-08-01
公開日2016-08-03
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
分子名称: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5H9U
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BU of 5h9u by Molmil
Crystal structure of a thermostable methionine adenosyltransferase
分子名称: S-adenosylmethionine synthase
著者Feng, Y, Wang, W.
登録日2015-12-29
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.667 Å)
主引用文献Crystal structure of a thermostable methionine adenosyltransferase
To Be Published
5BKF
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BU of 5bkf by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, Glycine bound, desensitized state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ...
著者Yu, H, Wang, W.
登録日2021-03-19
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Characterization of the subunit composition and structure of adult human glycine receptors
Neuron, 109, 2021
5BKG
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BU of 5bkg by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, glycine bound, (semi)open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ...
著者Yu, H, Wang, W.
登録日2021-03-19
公開日2021-09-08
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Characterization of the subunit composition and structure of adult human glycine receptors
Neuron, 109, 2021
6J9R
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BU of 6j9r by Molmil
Coiled-coil Domain of Drosophila TRIM Protein Brat
分子名称: Brain tumor protein, GLYCEROL
著者Shan, Z, Wang, W.
登録日2019-01-24
公開日2019-04-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the coiled-coil domain of Drosophila TRIM protein Brat.
Proteins, 87, 2019
4JHR
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BU of 4jhr by Molmil
An auto-inhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
分子名称: G-protein-signaling modulator 2
著者Pan, Z, Zhu, J, Shang, Y, Wei, Z, Jia, M, Xia, C, Wen, W, Wang, W, Zhang, M.
登録日2013-03-05
公開日2013-06-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An autoinhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
Structure, 21, 2013
4QM0
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BU of 4qm0 by Molmil
Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist
分子名称: DIMETHYL SULFOXIDE, N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma
著者Boenig, G, Hymowitz, S.G, Wang, W.
登録日2014-06-14
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
3ET3
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BU of 3et3 by Molmil
Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor gamma, Steroid receptor coactivator 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
4L7H
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BU of 4l7h by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1, ...
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4L7J
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BU of 4l7j by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
8YB4
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BU of 8yb4 by Molmil
Pfr conformer of Arabidopsis thaliana phytochrome B in complex with phytochrome-interacting factor 6
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, phytochrome B, phytochrome-interacting factor 6
著者Wang, Z, Wang, W, Zhao, D, Song, Y, Xu, B, Zhao, J, Wang, J.
登録日2024-02-11
公開日2024-10-02
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Light-induced remodeling of phytochrome B enables signal transduction by phytochrome-interacting factor.
Cell, 187, 2024
1YVL
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BU of 1yvl by Molmil
Structure of Unphosphorylated STAT1
分子名称: 5-residue peptide, GOLD ION, Signal transducer and activator of transcription 1-alpha/beta
著者Mao, X, Ren, Z, Parker, G.N, Sondermann, H, Pastorello, M.A, Wang, W, McMurray, J.S, Demeler, B, Darnell Jr, J.E, Chen, X.
登録日2005-02-16
公開日2005-03-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural bases of unphosphorylated STAT1 association and receptor binding.
Mol.Cell, 17, 2005
2AI2
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BU of 2ai2 by Molmil
Purine nucleoside phosphorylase from calf spleen
分子名称: ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ...
著者Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E.
登録日2005-07-28
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
7KED
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BU of 7ked by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Oh, J, Wang, W, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
2ATG
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BU of 2atg by Molmil
NMR structure of Retrocyclin-2 in SDS
分子名称: Retrocyclin-2
著者Daly, N.L, Chen, Y.K, Rosengren, K.J, Marx, U.C, Phillips, M.L, Waring, A.J, Wang, W, Lehrer, R.I, Craik, D.J.
登録日2005-08-24
公開日2005-09-06
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin
Biochemistry, 46, 2007

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