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5WWO
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BU of 5wwo by Molmil
Crystal structure of Enp1
分子名称: Essential nuclear protein 1, Protein LTV1
著者Ye, K, Zhang, W.
登録日2017-01-03
公開日2017-06-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
7U0N
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BU of 7u0n by Molmil
Crystal structure of chimeric omicron RBD (strain BA.1) complexed with human ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Geng, Q, Shi, K, Ye, G, Zhang, W, Aihara, H, Li, F.
登録日2022-02-18
公開日2022-03-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural Basis for Human Receptor Recognition by SARS-CoV-2 Omicron Variant BA.1.
J.Virol., 96, 2022
5XKA
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Crystal structure of M.tuberculosis PknI kinase domain
分子名称: Serine/threonine-protein kinase PknI
著者Yan, Q, Jiang, D, Qian, L, Zhang, Q, Zhang, W, Zhou, W, Mi, K, Guddat, L, Yang, H, Rao, Z.
登録日2017-05-06
公開日2018-05-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
9KR5
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Crystal structure of SARS-CoV-2 main protease in complex with compound 3
分子名称: (6~{E})-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-[5-[(3~{S})-oxolan-3-yl]oxypyridin-3-yl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazinane-2,4-dione, 3C-like proteinase nsp5
著者Zhong, Y, Zhao, L, Zhang, W, Peng, W.
登録日2024-11-27
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSK
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Crystal structure of SARS-CoV-2 main protease in complex with compound 10
分子名称: 3C-like proteinase, 4-[4-chloranyl-2-[[(6E)-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-(5-methylpyridin-3-yl)-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-5-fluoranyl-phenoxy]-2-fluoranyl-benzenecarbonitrile
著者Zhong, Y, Zhao, L, Zhang, W, Peng, W.
登録日2024-11-29
公開日2025-04-02
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSI
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BU of 9ksi by Molmil
Crystal Structure of SARS-CoV-2 main protease in complex with compound 5
分子名称: (6E)-1-[[5-chloranyl-4-fluoranyl-2-(4-fluoranylphenoxy)phenyl]methyl]-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-(5-methoxypyridin-3-yl)-1,3,5-triazinane-2,4-dione, 3C-like proteinase nsp5
著者Zhong, Y, Zhao, L, Zhang, W, Peng, W.
登録日2024-11-29
公開日2025-04-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSH
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BU of 9ksh by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with compound 1
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-pyridin-3-yl-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Zhong, Y, Zhao, L, Zhang, W, Peng, W.
登録日2024-11-29
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSJ
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BU of 9ksj by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with compound 8
分子名称: 3-[[(6E)-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-[5-(2-methoxyethoxy)pyridin-3-yl]-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-4-methyl-benzenecarbonitrile, 3C-like proteinase nsp5
著者Zhong, Y, Zhao, L, Zhang, W, Peng, W.
登録日2024-11-29
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
2L89
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BU of 2l89 by Molmil
Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
分子名称: PWWP domain-containing protein 1
著者Qiu, Y, Zhang, J, Zhang, W.
登録日2011-01-07
公開日2011-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
Biochem.J., 2011
5K0K
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434
分子名称: 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V.
登録日2016-05-17
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
5K0X
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541
分子名称: (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
著者McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X.
登録日2016-05-17
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12, 2017
8TAR
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BU of 8tar by Molmil
APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
登録日2023-06-27
公開日2023-09-27
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
8TAU
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BU of 8tau by Molmil
APC/C-CDH1-UBE2C-UBE2S-Ubiquitin-CyclinB
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
登録日2023-06-27
公開日2023-09-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
9J56
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Functional Investigation of the SAM-Dependent Methyltransferases Rdmb in Anthracycline Biosynthesis
分子名称: (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione, Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE
著者Yang, Q.Y, Sang, M.L, Zhang, W.
登録日2024-08-11
公開日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional investigation of the SAM-dependent methyltransferase RdmB in anthracycline biosynthesis.
Synth Syst Biotechnol, 10, 2025
9KQA
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Cryo-EM structure of human VMAT2 in complex with Tetrabenazine
分子名称: (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, Soluble cytochrome b562,Synaptic vesicular amine transporter
著者Wei, F, Zhang, W, Zhang, Y.
登録日2024-11-25
公開日2025-01-15
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Drug inhibition and substrate transport mechanisms of human VMAT2.
Nat Commun, 16, 2025
9KQE
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Cryo-EM structure of human VMAT2 in complex with dopamine.
分子名称: L-DOPAMINE, Soluble cytochrome b562,Synaptic vesicular amine transporter
著者Wei, F, Zhang, W, Zhang, Y.
登録日2024-11-25
公開日2025-01-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Drug inhibition and substrate transport mechanisms of human VMAT2.
Nat Commun, 16, 2025
9KQ8
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BU of 9kq8 by Molmil
Cryo-EM structure of human VMAT2 in complex with valbenazine
分子名称: Soluble cytochrome b562,Synaptic vesicular amine transporter, valbenazine
著者Wei, F, Zhang, W, Zhang, Y.
登録日2024-11-25
公開日2025-01-15
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Drug inhibition and substrate transport mechanisms of human VMAT2.
Nat Commun, 16, 2025
5VKQ
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BU of 5vkq by Molmil
Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L
著者Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y.
登録日2017-04-22
公開日2017-06-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Electron cryo-microscopy structure of the mechanotransduction channel NOMPC.
Nature, 547, 2017
8F24
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BU of 8f24 by Molmil
Mirror-image RNA octamer containing 2'-OMe-L-uridine
分子名称: Mirror-image RNA 0G-XEC-0G-0U-0A-0C-0A-0C, SULFATE ION
著者Dantsu, Y, Zhang, W.
登録日2022-11-07
公開日2023-04-12
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization.
Chembiochem, 24, 2023
4YY9
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BU of 4yy9 by Molmil
The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ...
著者Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F.
登録日2015-03-23
公開日2016-04-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution
To Be Published
9BQ0
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Complex structure of protein crystal of Tri17 with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, AMP-binding protein, MAGNESIUM ION
著者Zhai, R, Zhang, W.
登録日2024-05-08
公開日2024-10-09
最終更新日2024-12-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Enzymatic synthesis of azide by a promiscuous N-nitrosylase.
Nat.Chem., 16, 2024
4YY7
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BU of 4yy7 by Molmil
The structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ...
著者Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F.
登録日2015-03-23
公開日2016-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013)
To Be Published
4YY0
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The structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2
著者Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F.
登録日2015-03-23
公開日2016-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013)
To Be Published
2LSP
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solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide
分子名称: Bromodomain-containing protein 4, NF-kB-K310ac peptide
著者Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M.
登録日2012-05-03
公開日2012-07-18
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
4NS5
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Crystal structure of human BS69 Bromo-Zinc finger-PWWP
分子名称: ZINC ION, Zinc finger MYND domain-containing protein 11
著者Wang, J.C, Qin, S, Li, F.D, Li, S, Zhang, W, Wu, J.H, Shi, Y.Y.
登録日2013-11-28
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human BS69 Bromo-ZnF-PWWP reveals its role in H3K36me3 nucleosome binding.
Cell Res., 24, 2014

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