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6OHK
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BU of 6ohk by Molmil
Crystal structure of Fusobacterium nucleatum flavodoxin mutant K13G bound to flavin mononucleotide
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL
著者Kolesnikov, M, Murphy, M.E.P.
登録日2019-04-05
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural insight into the high reduction potentials observed for Fusobacterium nucleatum flavodoxin.
Protein Sci., 28, 2019
6OKK
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BU of 6okk by Molmil
Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, small subunit
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Wong, W, Scheres, S.H.W.
登録日2019-04-13
公開日2019-05-22
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine.
Elife, 3, 2014
3HZR
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BU of 3hzr by Molmil
Tryptophanyl-tRNA synthetase homolog from Entamoeba histolytica
分子名称: Tryptophanyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
5KQX
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BU of 5kqx by Molmil
Protease E35D-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KR0
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BU of 5kr0 by Molmil
Protease E35D-APV
分子名称: GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
6QXB
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BU of 6qxb by Molmil
NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli
分子名称: PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
登録日2019-03-07
公開日2019-05-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
6QXC
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BU of 6qxc by Molmil
NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa.
分子名称: PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
登録日2019-03-07
公開日2019-05-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
6ZO5
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BU of 6zo5 by Molmil
Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P
分子名称: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZO9
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BU of 6zo9 by Molmil
Binding of two rifabutins to the access pocket of AcrB-G621P T protomer
分子名称: (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOB
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BU of 6zob by Molmil
3-Formylrifamycin SV binding to the access pocket of AcrB L protomer
分子名称: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOH
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BU of 6zoh by Molmil
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers
分子名称: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOF
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BU of 6zof by Molmil
Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer
分子名称: DARPIN, DECANE, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOA
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BU of 6zoa by Molmil
Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DARPIN, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZUF
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BU of 6zuf by Molmil
Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone
分子名称: C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ...
著者Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F.
登録日2020-07-22
公開日2021-06-09
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity.
Sci Adv, 7, 2021
7Z14
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BU of 7z14 by Molmil
Cryo-EM structure of Torpedo nicotinic acetylcholine receptor in complex with a short-chain neurotoxin.
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, Acetylcholine receptor subunit alpha, ...
著者Nys, M.A.E.M, Zarkadas, E, Ulens, C, Nury, H.
登録日2022-02-24
公開日2022-08-17
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献The molecular mechanism of snake short-chain alpha-neurotoxin binding to muscle-type nicotinic acetylcholine receptors.
Nat Commun, 13, 2022
7ACR
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BU of 7acr by Molmil
Structure of post-translocated trans-translation complex on E. coli stalled ribosome.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Guyomar, C, D'Urso, G, Chat, S, Giudice, E, Gillet, R.
登録日2020-09-11
公開日2021-08-18
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structures of tmRNA and SmpB as they transit through the ribosome.
Nat Commun, 12, 2021
7AC7
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BU of 7ac7 by Molmil
Structure of accomodated trans-translation complex on E. Coli stalled ribosome.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Guyomar, C, D'Urso, G, Chat, S, Giudice, E, Gillet, R.
登録日2020-09-10
公開日2021-08-18
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structures of tmRNA and SmpB as they transit through the ribosome.
Nat Commun, 12, 2021
7ACJ
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BU of 7acj by Molmil
Structure of translocated trans-translation complex on E. coli stalled ribosome.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Guyomar, C, D'Urso, G, Chat, S, Giudice, E, Gillet, R.
登録日2020-09-11
公開日2021-08-18
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of tmRNA and SmpB as they transit through the ribosome.
Nat Commun, 12, 2021
7ABZ
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BU of 7abz by Molmil
Structure of pre-accomodated trans-translation complex on E. coli stalled ribosome.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Guyomar, C, D'Urso, G, Chat, S, Giudice, E, Gillet, R.
登録日2020-09-09
公開日2021-08-18
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structures of tmRNA and SmpB as they transit through the ribosome.
Nat Commun, 12, 2021
5Y0A
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BU of 5y0a by Molmil
Cryo-EM structure of zika virus complexed with Fab of ZKA190 at pH 8.0 and 37 celsius degree
分子名称: protein E, variable region of Fab ZKA190 heavy chain, variable region of Fab ZKA190 light chain
著者Wang, J.Q, Lok, S.M.
登録日2017-07-15
公開日2017-10-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (22 Å)
主引用文献A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
6OM6
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BU of 6om6 by Molmil
Structure of trans-translation inhibitor bound to E. coli 70S ribosome with P site tRNA
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Hoffer, E.D, Mehrani, A, Keiler, K.C, Stagg, S.M, Dunham, C.M.
登録日2019-04-18
公開日2021-02-10
最終更新日2021-09-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献trans-Translation inhibitors bind to a novel site on the ribosome and clear Neisseria gonorrhoeae in vivo.
Nat Commun, 12, 2021
4XB6
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BU of 4xb6 by Molmil
Structure of the E. coli C-P lyase core complex
分子名称: Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ...
著者Brodersen, D.E.
登録日2014-12-16
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the bacterial carbon-phosphorus lyase machinery.
Nature, 525, 2015
5FPV
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BU of 5fpv by Molmil
Crystal structure of human JMJD2A in complex with compound KDOAM20A
分子名称: 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ...
著者Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
6UWT
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BU of 6uwt by Molmil
Clostridium difficile binary toxin translocase CDTb tetradecamer in symmetric conformation
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Xu, X, Pozharski, E, des Georges, A.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
4XAX
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BU of 4xax by Molmil
Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA polymerase beta1 domain
分子名称: 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1
著者Chen, J, Bae, B, Campbell, E.A, Darst, S.A.
登録日2014-12-15
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015

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