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5CEP
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BU of 5cep by Molmil
DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase 12, N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
分子名称: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
6JM5
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BU of 6jm5 by Molmil
Crystal structure of TBC1D23 C terminal domain
分子名称: SODIUM ION, TBC1 domain family member 23
著者Sun, Q, Huang, W.
登録日2019-03-07
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH.
Proc.Natl.Acad.Sci.USA, 116, 2019
8X8O
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BU of 8x8o by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41) in 5 mM EDTA
分子名称: Probable tail spike protein
著者Xie, Y, Huang, T, Zhang, Z, Tao, X.
登録日2023-11-27
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
8X8M
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BU of 8x8m by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41)
分子名称: Probable tail spike protein
著者Xie, Y, Huang, T, Zhang, Z, Tao, X.
登録日2023-11-27
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
7DXI
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BU of 7dxi by Molmil
Structure of Drosophila melanogaster GlcNAc-1-phosphotransferase
分子名称: CALCIUM ION, FI02838p
著者Du, S, Xiao, J, Guopeng, W.
登録日2021-01-19
公開日2022-02-02
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural insights into how GlcNAc-1-phosphotransferase directs lysosomal protein transport.
J.Biol.Chem., 298, 2022
7YCK
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BU of 7yck by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ...
著者Nguyen, V.H.T, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCL
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BU of 7ycl by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ...
著者Mohapatra, A, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCN
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BU of 7ycn by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IY-2A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IY-2A Fab heavy chain, IY-2A Fab light chain, ...
著者Mohapatra, A, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
8FFR
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BU of 8ffr by Molmil
Revised structure of the rabies virus nucleoprotein-RNA complex
分子名称: Nucleoprotein, PHOSPHATE ION, RNA (99-MER)
著者Leyrat, C, Bourhis, J.M, Albertini, A.A.V, Wernimont, A.K, Muziol, T, Ravelli, R.B.G, Weissenhorn, W, Ruigrok, R.W.H, Jamin, M.
登録日2022-12-09
公開日2023-01-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Structure and Dynamics of the Unassembled Nucleoprotein of Rabies Virus in Complex with Its Phosphoprotein Chaperone Module.
Viruses, 14, 2022
6Y3X
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BU of 6y3x by Molmil
Crystal structure of the Francisella novicida lysine decarboxylase LdcF
分子名称: Lysine decarboxylase
著者Felix, J, Siebert, C, Gutsche, I, Renesto, P.
登録日2020-02-19
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural and functional analysis of the Francisella lysine decarboxylase as a key actor in oxidative stress resistance.
Sci Rep, 11, 2021
7NG2
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BU of 7ng2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain in apo form
分子名称: ISOPROPYL ALCOHOL, Zinc finger (CCCH type) motif-containing protein
著者Swale, C, Bowler, M.W.
登録日2021-02-08
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NJC
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BU of 7njc by Molmil
Crystal structure of the Toxoplasma CPSF4 YTH-domain in complex with a 7 mer m6A-modified RNA
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, N-methyladenosine, RNA (5'-R(*(6MZ)P*CP*A)-3'), ...
著者Swale, C, Bowler, M.W.
登録日2021-02-16
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NH2
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BU of 7nh2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain bound to m6A
分子名称: TETRAETHYLENE GLYCOL, Zinc finger (CCCH type) motif-containing protein, ~{N},9-dimethylpurin-6-amine
著者Swale, C, Bowler, M.W.
登録日2021-02-09
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7P9B
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BU of 7p9b by Molmil
Providencia stuartii Arginine decarboxylase (Adc), decamer structure
分子名称: Biodegradative arginine decarboxylase
著者Jessop, M, Desfosses, A, Bacia-Verloop, M, Gutsche, I.
登録日2021-07-26
公開日2022-04-20
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structural and biochemical characterisation of the Providencia stuartii arginine decarboxylase shows distinct polymerisation and regulation.
Commun Biol, 5, 2022
7Q4A
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BU of 7q4a by Molmil
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib
分子名称: Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Swale, C, Bellini, V, Bowler, M.
登録日2021-10-29
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
7PON
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BU of 7pon by Molmil
C TERMINAL DOMAIN OF NIPAH VIRUS PHOSPHOPROTEIN
分子名称: Phosphoprotein
著者Yabukarski, F, Tarbouriech, N, Jamin, M, Bourhis, J.M.
登録日2021-09-09
公開日2022-04-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Dynamics of the C-terminal X Domain of Nipah and Hendra Viruses Controls the Attachment to the C-terminal Tail of the Nucleocapsid Protein.
J.Mol.Biol., 434, 2022
7PNO
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BU of 7pno by Molmil
C terminal domain of Nipah Virus Phosphoprotein fused to the Ntail alpha more of the Nucleoprotein.
分子名称: Phosphoprotein, alpha MoRE of Nipah virus Nucleoprotein tail
著者Bourhis, J.M, Yabukaski, F, Tarbouriech, N, Jamin, M.
登録日2021-09-07
公開日2022-04-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural Dynamics of the C-terminal X Domain of Nipah and Hendra Viruses Controls the Attachment to the C-terminal Tail of the Nucleocapsid Protein.
J.Mol.Biol., 434, 2022
8RUM
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BU of 8rum by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and intronistat B
分子名称: Domains 1-5, MAGNESIUM ION, ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
著者Silvestri, I, Marcia, M.
登録日2024-01-31
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8RUI
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BU of 8rui by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 1h soaking
分子名称: Domains 1-5, MAGNESIUM ION, POTASSIUM ION, ...
著者Silvestri, I, Marcia, M.
登録日2024-01-30
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8RUH
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BU of 8ruh by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and 5'-exon
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-exon, Domains 1-5, ...
著者Silvestri, I, Marcia, M.
登録日2024-01-30
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (4.55 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8RUJ
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BU of 8ruj by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking
分子名称: 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ...
著者Silvestri, I, Marcia, M.
登録日2024-01-30
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8RUL
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BU of 8rul by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+ and Mg2+
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Domains 1-5, MAGNESIUM ION
著者Silvestri, I, Marcia, M.
登録日2024-01-31
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
2JTX
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BU of 2jtx by Molmil
NMR structure of the TFIIE-alpha carboxyl terminus
分子名称: Transcription initiation factor IIE subunit alpha
著者Di Lello, P, Omichinski, J.G.
登録日2007-08-08
公開日2007-12-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献p53 and TFIIEalpha share a common binding site on the Tfb1/p62 subunit of TFIIH.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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