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7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-17
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
4AW5
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BU of 4aw5 by Molmil
Complex of the EphB4 kinase domain with an oxindole inhibitor
分子名称: (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4
著者Till, J.H, Stout, T.J.
登録日2012-05-31
公開日2012-08-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
登録日2022-06-28
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
分子名称: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
著者Zhuang, L.
登録日2023-09-14
公開日2024-01-31
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
6PBH
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BU of 6pbh by Molmil
Crystal Structure of HLA-A*68:01 in complex with NP145-156, a 12 mer influenza peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-68 alpha chain, ...
著者Gras, S.
登録日2019-06-13
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Challenging immunodominance of influenza-specific CD8+T cell responses restricted by the risk-associated HLA-A*68:01 allomorph.
Nat Commun, 10, 2019
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
分子名称: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-06-05
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
5CRL
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BU of 5crl by Molmil
Crystal Structure of the Transcription Activator Tn501 MerR in Complex with Mercury (II)
分子名称: MERCURY (II) ION, Mercuric resistance operon regulatory protein
著者Wang, D, Gan, J.H, Chen, H.
登録日2015-07-23
公開日2016-09-07
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Analysis of the Hg(II)-Regulatory Protein Tn501 MerR from Pseudomonas aeruginosa.
Sci Rep, 6, 2016
4OEW
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BU of 4oew by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Ren, J, Xu, Y.C.
登録日2014-01-14
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
4OEX
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BU of 4oex by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Ren, J, Xu, Y.C.
登録日2014-01-14
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
3V36
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BU of 3v36 by Molmil
Aldose reductase complexed with glceraldehyde
分子名称: Aldose reductase, D-Glyceraldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
登録日2011-12-13
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
3V35
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BU of 3v35 by Molmil
Aldose reductase complexed with a nitro compound
分子名称: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ...
著者Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
登録日2011-12-13
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
分子名称: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
著者Kohls, D, Xie, X.
登録日2015-09-15
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
2KYG
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BU of 2kyg by Molmil
Structure of the AML1-ETO Nervy Domain - PKA(RIIa) complex and its contribution to AML1-ETO activity
分子名称: Protein CBFA2T1, cAMP-dependent protein kinase type II-alpha regulatory subunit
著者Corpora, T.A, Cierpecki, T, Bushweller, J.
登録日2010-05-25
公開日2010-10-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the AML1-ETO NHR3-PKA(RIIalpha) complex and its contribution to AML1-ETO activity.
J.Mol.Biol., 402, 2010
6LXH
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BU of 6lxh by Molmil
Staphylococcus aureus surface protein-sdrc
分子名称: Ser-Asp rich fibrinogen-binding, bone sialoprotein-binding protein
著者Pi, Y, Ji, Q.
登録日2020-02-11
公開日2020-04-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis ofStaphylococcus aureusSurface Protein SdrC.
Biochemistry, 59, 2020
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
著者Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
登録日2018-09-22
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
8H89
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BU of 8h89 by Molmil
Capsid of Ralstonia phage GP4
分子名称: Major capsid protein, Virion associated protein
著者Liu, H.R, Chen, W.Y.
登録日2022-10-22
公開日2022-11-16
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A Capsid Structure of Ralstonia solanacearum podoviridae GP4 with a Triangulation Number T = 9.
Viruses, 14, 2022
1F6B
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BU of 1f6b by Molmil
CRYSTAL STRUCTURE OF SAR1-GDP COMPLEX
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SAR1, ...
著者Huang, M, Wilson, I.A, Balch, W.E.
登録日2000-06-21
公開日2002-01-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Sar1-GDP at 1.7 A resolution and the role of the NH2 terminus in ER export.
J.Cell Biol., 155, 2001
4LMA
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BU of 4lma by Molmil
Crystal structure analysis of O-acetylserine sulfhydrylase CysK1 from Microcystis aeruginosa 7806
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE
著者Lu, M.
登録日2013-07-10
公開日2014-06-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and biochemical analyses of Microcystis aeruginosa O-acetylserine sulfhydrylases reveal a negative feedback regulation of cysteine biosynthesis.
Biochim.Biophys.Acta, 1844, 2014
4LMB
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BU of 4lmb by Molmil
Crystal structure analysis of O-acetylserine sulfhydrylase CysK2 complexed with cystine from Microcystis aeruginosa 7806
分子名称: CYSTEINE, Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE
著者Lu, M.
登録日2013-07-10
公開日2014-06-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural and biochemical analyses of Microcystis aeruginosa O-acetylserine sulfhydrylases reveal a negative feedback regulation of cysteine biosynthesis.
Biochim.Biophys.Acta, 1844, 2014
6THP
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BU of 6thp by Molmil
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
著者Schiering, N, Wiesmann, C.
登録日2019-11-21
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4OI6
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BU of 4oi6 by Molmil
Crystal structure analysis of nickel-bound form SCO4226 from Streptomyces coelicolor A3(2)
分子名称: CITRIC ACID, NICKEL (II) ION, Nickel responsive protein
著者Lu, M, Jiang, Y.L, Wang, S, Cheng, W, Zhang, R.G, Virolle, M.J, Chen, Y, Zhou, C.Z.
登録日2014-01-18
公開日2014-09-10
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Streptomyces coelicolor SCO4226 Is a Nickel Binding Protein.
Plos One, 9, 2014
7RED
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BU of 7red by Molmil
Holo Hemophilin from A. baumannii
分子名称: Hemophilin, PROTOPORPHYRIN IX CONTAINING FE
著者Bateman, T.J, Shah, M, Moraes, T.F.
登録日2021-07-12
公開日2021-11-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
7RE4
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BU of 7re4 by Molmil
Apo Hemophilin from A. baumannii
分子名称: Hemophilin
著者Bateman, T.J, Shah, M, Moraes, T.F.
登録日2021-07-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021

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