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8CVQ
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Crystal structure of TDP1 complexed with compound XZ761
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ...
著者Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
登録日2022-05-18
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
8K5Q
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Crystal structure of YajQ STM0435 with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), YajQ
著者Dai, Y, Zhang, M, Wang, W, Li, B.
登録日2023-07-23
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella
Virulence, 15, 2024
3MXN
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BU of 3mxn by Molmil
Crystal structure of the RMI core complex
分子名称: BENZAMIDINE, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
著者Hoadley, K.A, Xu, D, Xue, Y, Satyshur, K.A, Wang, W, Keck, J.L.
登録日2010-05-07
公開日2010-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure and cellular roles of the RMI core complex from the bloom syndrome dissolvasome.
Structure, 18, 2010
8K4I
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BU of 8k4i by Molmil
Crystal structure of YajQ STM0435
分子名称: YajQ
著者Dai, Y, Zhang, M, Wang, W, Li, B.
登録日2023-07-19
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella
Virulence, 15, 2024
4L7J
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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2023-09-20
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
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
3MWT
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BU of 3mwt by Molmil
Crystal structure of Lassa fever virus nucleoprotein in complex with Mn2+
分子名称: MANGANESE (II) ION, Nucleoprotein, ZINC ION
著者Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF)
登録日2010-05-06
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
3MWP
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BU of 3mwp by Molmil
Nucleoprotein structure of lassa fever virus
分子名称: Nucleoprotein, ZINC ION
著者Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF)
登録日2010-05-06
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
3MX5
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BU of 3mx5 by Molmil
Lassa fever virus nucleoprotein complexed with UTP
分子名称: Nucleoprotein, URIDINE 5'-TRIPHOSPHATE, ZINC ION
著者Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF)
登録日2010-05-06
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
4L7G
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BU of 4l7g 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 (BACE1)
分子名称: (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, 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 (1.38 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
4LC7
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Aminooxazoline inhibitor of BACE-1
分子名称: (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M.
登録日2013-06-21
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 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
7L31
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BU of 7l31 by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, strychnine bound state, 3.8 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-2, Glycine receptor subunit beta,Green fluorescent protein, ...
著者Yu, H, Wang, W.
登録日2020-12-17
公開日2021-09-08
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
7KUY
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BU of 7kuy by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, strychnine bound state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-2, Glycine receptor subunit beta, ...
著者Yu, H, Wang, W.
登録日2020-11-25
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
8JP3
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FCP trimer in diatom Thalassiosira pseudonana
分子名称: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, ...
著者Feng, Y, Li, Z, Zhou, C.C, Liu, C, Shen, J.R, Wang, W.
登録日2023-06-10
公開日2024-06-12
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 2024
7MDP
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BU of 7mdp by Molmil
KRas G12C in complex with G-2897
分子名称: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ...
著者Oh, A, Frank, Y, Wang, W.
登録日2021-04-05
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
3RO3
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BU of 3ro3 by Molmil
crystal structure of LGN/mInscuteable complex
分子名称: CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ...
著者Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M.
登録日2011-04-25
公開日2012-03-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
8JKB
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BU of 8jkb by Molmil
Cryo-EM structure of KCTD5 in complex with Gbeta gamma subunits
分子名称: BTB/POZ domain-containing protein KCTD5, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
著者Zheng, S, Jiang, W, Wang, W, Kong, Y.
登録日2023-06-01
公開日2023-07-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
8WCK
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FCP tetramer in Chaetoceros gracilis
分子名称: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, Chlorophyll a/b-binding protein, ...
著者Feng, Y, Li, Z, Zhou, C, Shen, J.-R, Liu, C, Wang, W.
登録日2023-09-12
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 2024
8WCL
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FCP pentamer in Chaetoceros gracilis
分子名称: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, ...
著者Feng, Y, Li, Z, Zhou, C, Liu, C, Shen, J.-R, Wang, W.
登録日2023-09-12
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 2024
5TUB
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BU of 5tub by Molmil
Crystal Structure of the Shark TBC1D15 GAP Domain
分子名称: Shark TBC1D15 GTPase-activating Protein
著者Chen, Y.-N, Wang, W, Cheng, D, Ge, Y, Gu, X, Zhou, X.E, Ye, F, Xu, H.E, Lv, Z.
登録日2016-11-05
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of TBC1D15 GTPase-activating protein (GAP) domain and its activity on Rab GTPases.
Protein Sci., 26, 2017
5FHP
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SeMet regulator of nicotine degradation
分子名称: GLYCEROL, MALONIC ACID, NicR
著者Zhang, K, Tang, H, Wu, G, Wang, W, Hu, H, Xu, P.
登録日2015-12-22
公開日2016-12-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Co-crystal Structure of NicR2_Hsp
To Be Published
4DST
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BU of 4dst by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
分子名称: 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ...
著者Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
登録日2012-02-19
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DSN
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BU of 4dsn by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
分子名称: 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ...
著者Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
登録日2012-02-19
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
5TUC
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BU of 5tuc by Molmil
Crystal Structure of the Sus TBC1D15 GAP Domain
分子名称: Sus TBC1D15 GAP Domain
著者Chen, Y.-N, Wang, W, Cheng, D, Ge, Y, Gu, X, Zhou, X.E, Ye, F, Xu, H.E, Lv, Z.
登録日2016-11-05
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of TBC1D15 GTPase-activating protein (GAP) domain and its activity on Rab GTPases.
Protein Sci., 26, 2017
6B16
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P21-activated kinase 1 in complex with a 4-azaindole inhibitor
分子名称: N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2017-09-16
公開日2017-10-25
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016

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