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6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
7MK3
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BU of 7mk3 by Molmil
Crystal structure of NPR1
分子名称: CHLORIDE ION, GLYCEROL, Regulatory protein NPR1, ...
著者Cheng, J, Wu, Q, Zhou, P.
登録日2021-04-21
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
8KG5
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BU of 8kg5 by Molmil
Prefusion RSV F Bound to Lonafarnib and D25 Fab
分子名称: 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ...
著者Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X.
登録日2023-08-17
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024
7V1N
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BU of 7v1n by Molmil
Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI
分子名称: Isoform Beta of Tissue factor pathway inhibitor, Toxin B
著者Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L.
登録日2021-08-05
公開日2022-02-23
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile.
Cell, 185, 2022
7VEH
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BU of 7veh by Molmil
Type I-F Anti-CRISPR protein AcrIF13
分子名称: AcrIF13
著者Gao, T, Feng, Y.
登録日2021-09-08
公開日2022-07-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
7VF6
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BU of 7vf6 by Molmil
The crystal structure of PurZ0
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ...
著者Tong, Y, Zhang, Y.
登録日2021-09-10
公開日2023-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Alternative Z-genome biosynthesis pathway shows evolutionary progression from Archaea to phage.
Nat Microbiol, 8, 2023
8R7A
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BU of 8r7a by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein PWL2 with the HMA domain of OsHIPP43 from rice (Oryza sativa)
分子名称: Os01g0507700 protein, Pwl2 protein
著者Zdrzalek, R, Banfield, M.J.
登録日2023-11-24
公開日2024-01-31
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bioengineering a plant NLR immune receptor with a robust binding interface toward a conserved fungal pathogen effector.
Proc.Natl.Acad.Sci.USA, 121, 2024
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
6XVF
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BU of 6xvf by Molmil
Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, Hasnain, S.S, Antonyuk, S.V.
登録日2020-01-21
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
8R7D
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BU of 8r7d by Molmil
Complex of rice blast (Magnaporthe oryzae) mutant effector protein PWL2-SNDE with the HMA domain of OsHIPP43 from rice (Oryza sativa)
分子名称: Os01g0507700 protein, Pwl2 protein
著者Zdrzalek, R, Banfield, M.J.
登録日2023-11-24
公開日2024-01-31
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bioengineering a plant NLR immune receptor with a robust binding interface toward a conserved fungal pathogen effector.
Proc.Natl.Acad.Sci.USA, 121, 2024
6XRJ
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BU of 6xrj by Molmil
Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage
分子名称: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment
著者Manne, K, Nicely, N.I, Acharya, P.
登録日2020-07-13
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
7VK9
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BU of 7vk9 by Molmil
Crystal structure of xCas9 P411T
分子名称: CRISPR-associated endonuclease Cas9/Csn1
著者Bao, R, Liu, H.Y, Luo, Y.Z, Song, Y.J.
登録日2021-09-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Dynamics Studies of the Spcas9 Variant Provide Insights into the Regulatory Role of the REC1 Domain
Acs Catalysis, 12, 2022
5AGR
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BU of 5agr by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
6IUO
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BU of 6iuo by Molmil
Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6ITJ
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BU of 6itj by Molmil
Crystal structure of FGFR1 kinase domain in complex with compound 3
分子名称: 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1
著者Xu, Y, Liu, Q.
登録日2018-11-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
5NMI
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BU of 5nmi by Molmil
Cytochrome bc1 bound to the inhibitor MJM170
分子名称: (4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ARG-ASN-TRP-VAL-PRO-THR-ALA-GLN-LEU-TRP-GLY-ALA-VAL-GLY-ALA-VAL-GLY-LEU-VAL-SER-ALA-THR, ...
著者Capper, N.J, Antonyuk, S.V, Hasnain, S.S.
登録日2017-04-05
公開日2017-06-14
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections.
Sci Rep, 6, 2016
5NDF
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BU of 5ndf by Molmil
Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation
分子名称: 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ...
著者Hurtado-Guerrero, R, De las Rivas, M.
登録日2017-03-08
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein.
J. Biol. Chem., 292, 2017
6NW9
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BU of 6nw9 by Molmil
CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
著者Greenfield, J.Y, Herzberg, O.
登録日2019-02-06
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3).
Sci Rep, 9, 2019
8J40
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BU of 8j40 by Molmil
Crystal Structure of CATB8 in complex with chloramphenicol
分子名称: CHLORAMPHENICOL, CatB8, GLYCEROL, ...
著者Liao, J, Kuang, L, Jiang, Y.
登録日2023-04-18
公開日2024-02-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Chloramphenicol Binding Sites of Acinetobacter baumannii Chloramphenicol Acetyltransferase CatB8.
Acs Infect Dis., 10, 2024
6OBD
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BU of 6obd by Molmil
Crystal structure of anti-GLD52 Fab complex with human GLD52 peptide mimetic
分子名称: GLD52 peptide mimetic, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, ZINC ION, ...
著者Wei, R.
登録日2019-03-20
公開日2019-07-03
最終更新日2019-09-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Engineering an anti-CD52 antibody for enhanced deamidation stability.
Mabs, 11, 2019
4Y7N
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BU of 4y7n by Molmil
The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
分子名称: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, L, Chong, J, Wang, D.
登録日2015-02-15
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
4Y52
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BU of 4y52 by Molmil
Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
分子名称: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, L, Chong, J, Wang, D.
登録日2015-02-11
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
6VJT
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BU of 6vjt by Molmil
Co-crystals of broadly neutralizing antibody with the linear epitope from Hepatitis B surface antigen
分子名称: Heavy Chain Fab Fragment of Monoclonal Ab15, Light Chain Fab Fragment of Monoclonal antibody A15, antigenic region 139-148 of Hepatitis B surface antigen protein
著者Oren, D.A, Nussenzweig, M.C, Wang, Q.
登録日2020-01-17
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献A Combination of Human Broadly Neutralizing Antibodies against Hepatitis B Virus HBsAg with Distinct Epitopes Suppresses Escape Mutations.
Cell Host Microbe, 28, 2020
8KHU
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BU of 8khu by Molmil
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
分子名称: (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ...
著者Zhou, Z, Xu, Z.H.
登録日2023-08-22
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023

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