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8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8WT8
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BU of 8wt8 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the post-strand exchange state (Holliday junction intermediate)
分子名称: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
著者Hiraizumi, M, Yamashita, K, Nishimasu, H.
登録日2023-10-18
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mechanism of bridge RNA-guided recombination.
Nature, 630, 2024
2D4X
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BU of 2d4x by Molmil
Crystal structure of a 26K fragment of HAP3 (FlgL)
分子名称: Flagellar hook-associated protein 3
著者Imada, K, Matsunami, H, Samatey, A.F, Nagashima, S, Namba, K.
登録日2005-10-25
公開日2006-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the bacterial flagellar hook-filament junction
To be Published
8UZ1
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BU of 8uz1 by Molmil
Straight actin filament from Arp2/3 branch junction sample (ADP-BeFx)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Chavali, S.S, Chou, S.Z, Sindelar, C.V.
登録日2023-11-14
公開日2024-01-31
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by Arp2/3 complex.
Nat Commun, 15, 2024
4OET
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BU of 4oet by Molmil
Crystal structure of NikZ from Campylobacter jejuni, unliganded form
分子名称: GLYCEROL, Putative peptide ABC-transport system periplasmic peptide-binding protein
著者Lebrette, H, Cavazza, C.
登録日2014-01-13
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Structure, 22, 2014
6HRC
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BU of 6hrc by Molmil
Outward-facing PglK with ATPgammaS bound
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, WlaB protein
著者Perez, C, Locher, K.P.
登録日2018-09-26
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of Outward-Facing PglK and Molecular Dynamics of Lipid-Linked Oligosaccharide Recognition and Translocation.
Structure, 27, 2019
8ICD
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BU of 8icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION
著者Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
登録日1990-05-30
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
4OEU
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BU of 4oeu by Molmil
Crystal structure of NikZ from Campylobacter jejuni in complex with Ni(L-His)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, HISTIDINE, ...
著者Lebrette, H, Cavazza, C.
登録日2014-01-13
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Structure, 22, 2014
4OEV
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BU of 4oev by Molmil
Crystal structure of NikZ from Campylobacter jejuni in complex with Ni(II) ion
分子名称: GLYCEROL, NICKEL (II) ION, OXALATE ION, ...
著者Lebrette, H, Cavazza, C.
登録日2014-01-13
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins.
Structure, 22, 2014
3E3U
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BU of 3e3u by Molmil
Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor
分子名称: N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase
著者Meng, W, Xu, M, Pan, S, Koehn, J.
登録日2008-08-08
公開日2009-01-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
Bioorg.Med.Chem.Lett., 18, 2008
6OQP
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BU of 6oqp by Molmil
U-AITx-Ate1
分子名称: SER-LYS-TRP-ILE-CYS-ALA-ASN-ARG-SER-VAL-CYS-PRO-ILE
著者Elnahriry, K.A, Wai, D.C.C, Norton, R.S.
登録日2019-04-28
公開日2019-07-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa.
Toxicon, 168, 2019
3ETQ
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BU of 3etq by Molmil
X-ray structure of cysteine-free fragment of mHCN2 C-terminal region from amino acids 443-630 including C508N, C584S, and C601S mutations
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
著者Flynn, G.E.
登録日2008-10-08
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the structure and conformational movements of proteins with transition metal ion FRET.
Nat.Methods, 6, 2009
6P79
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BU of 6p79 by Molmil
Engineered single chain antibody C9+C14 ScFv
分子名称: Engineered antibody heavy chain, Engineered antibody light chain
著者Zhang, Y, Li, W, Marshall, N.
登録日2019-06-05
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.583 Å)
主引用文献Computer-based Engineering of Thermostabilized Antibody Fragments.
Aiche J, 66, 2020
4IMK
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BU of 4imk by Molmil
Uncrossed Fab binding to human Angiopoietin 2
分子名称: GLYCEROL, Heavy Chain, Light Chain, ...
著者Fenn, S, Schiller, C, Griese, J.J, Hopfner, K.-P, Kettenberger, H.
登録日2013-01-03
公開日2013-04-17
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain.
Plos One, 8, 2013
6PLC
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BU of 6plc by Molmil
Structure of human DNA polymerase eta complexed with 8OA in the template base paired with incoming non-hydrolyzable GTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(A38)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Koag, M.C, Lee, S.
登録日2019-06-30
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutagenesis mechanism of the major oxidative adenine lesion 7,8-dihydro-8-oxoadenine.
Nucleic Acids Res., 48, 2020
4IML
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BU of 4iml by Molmil
CrossFab binding to human Angiopoietin 2
分子名称: Crossed heavy chain (VH-Ckappa), Crossed light chain (VL-CH1), GLYCEROL
著者Fenn, S, Schiller, C, Griese, J, Hopfner, K.-P, Kettenberger, H.
登録日2013-01-03
公開日2013-04-17
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.931 Å)
主引用文献Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain.
Plos One, 8, 2013
6PZS
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BU of 6pzs by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005
分子名称: 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZR
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BU of 6pzr by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with Resminostat
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, IODIDE ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q0Z
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BU of 6q0z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZO
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BU of 6pzo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153
分子名称: Hdac6 protein, N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZU
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BU of 6pzu by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A
分子名称: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q3Q
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BU of 6q3q by Molmil
Arabidopsis OM64 TPR domain
分子名称: GLY-SER-LYS-MET-GLU-GLU-VAL-ASP, GLYCEROL, Outer envelope protein 64, ...
著者Schwenkert, S.
登録日2018-12-04
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphorylation of the outer membrane mitochondrial protein OM64 influences protein import into mitochondria.
Mitochondrion, 44, 2019
6QEC
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BU of 6qec by Molmil
DNA binding domain of LUX ARRYTHMO in complex with DNA
分子名称: DNA (5'-D(*AP*TP*TP*CP*GP*AP*AP*TP*AP*T*TP*AP*TP*AP*TP*TP*CP*GP*AP*A)-3'), GLYCEROL, Transcription factor LUX
著者Zubieta, C, Nayak, A.
登録日2019-01-07
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mechanisms of Evening Complex activity inArabidopsis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QPL
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BU of 6qpl by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor MS31
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-02-14
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
4IKC
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BU of 4ikc by Molmil
Crystal Structure of catalytic domain of PTPRQ
分子名称: CHLORIDE ION, Phosphotidylinositol phosphatase PTPRQ, SULFATE ION
著者Yu, K.R, Ryu, S.E, Kim, S.J.
登録日2012-12-26
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural basis for the dephosphorylating activity of PTPRQ towards phosphatidylinositide substrates
Acta Crystallogr.,Sect.D, 69, 2013

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