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6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
分子名称: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
6WIZ
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BU of 6wiz by Molmil
Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6WJ1
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BU of 6wj1 by Molmil
Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin
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, Fab 54-4H03 heavy chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6WIY
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BU of 6wiy by Molmil
Crystal structure of Fab 54-1G05
分子名称: Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
分子名称: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
8QJH
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BU of 8qjh by Molmil
Connexin-32 gap junction channel in complex with mefloquine
分子名称: Gap junction beta-1 protein
著者Lavriha, P, Korkhov, V.M, Han, Y.
登録日2023-09-13
公開日2024-09-25
最終更新日2025-01-22
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate.
Plos One, 19, 2024
8QKI
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BU of 8qki by Molmil
Connexin-32 hemichannel upon addition of mefloquine
分子名称: CHOLESTEROL, Gap junction beta-1 protein
著者Lavriha, P, Korkhov, V.M, Han, Y.
登録日2023-09-15
公開日2024-09-25
最終更新日2025-01-22
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate.
Plos One, 19, 2024
8QJF
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BU of 8qjf by Molmil
Connexin-32 gap junction channel in complex with 2-aminoethoxydiphenyl borate
分子名称: CHOLESTEROL, Gap junction beta-1 protein
著者Lavriha, P, Korkhov, V.M, Han, Y.
登録日2023-09-13
公開日2024-09-25
最終更新日2025-01-22
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate.
Plos One, 19, 2024
8QK6
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BU of 8qk6 by Molmil
Connexin-32 hemichannel upon addition of 2-aminoetoxydiphenyl borate
分子名称: CHOLESTEROL, Gap junction beta-1 protein
著者Lavriha, P, Korkhov, V.M, Han, Y.
登録日2023-09-14
公開日2024-09-25
最終更新日2025-01-22
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate.
Plos One, 19, 2024
8QKO
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BU of 8qko by Molmil
Connexin-43 gap junction channel in complex with mefloquine
分子名称: Gap junction alpha-1 protein
著者Lavriha, P, Korkhov, V.M, Han, Y.
登録日2023-09-16
公開日2024-09-25
最終更新日2025-01-22
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate.
Plos One, 19, 2024
6E66
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BU of 6e66 by Molmil
Crystal structure of bacterial N-acetylglucosamine transferase NleB
分子名称: 1,2-ETHANEDIOL, NleB
著者Yao, Q, Zheng, Y.Q, Shao, F.
登録日2018-07-23
公開日2019-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Functional Insights into Host Death Domains Inactivation by the Bacterial Arginine GlcNAcyltransferase Effector.
Mol.Cell, 74, 2019
8HEC
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BU of 8hec by Molmil
SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation
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, Spike glycoprotein, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-11-08
公開日2023-04-26
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
8HED
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BU of 8hed by Molmil
Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab
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, Spike protein S1, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-11-08
公開日2023-04-26
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
8HEB
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BU of 8heb by Molmil
SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation
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, Spike glycoprotein, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-11-08
公開日2023-04-26
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
6WJ0
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BU of 6wj0 by Molmil
Crystal structure of Fab 54-4H03
分子名称: Fab 54-4H03 heavy chain, Fab 54-4H03 light chain, GLYCEROL
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
1GHD
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BU of 1ghd by Molmil
Crystal structure of the glutaryl-7-aminocephalosporanic acid acylase by mad phasing
分子名称: GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE
著者Ding, Y, Jiang, W, Mao, X, He, H, Zhang, S, Tang, H, Bartlam, M, Ye, S, Jiang, F, Liu, Y, Zhao, G, Rao, Z.
登録日2000-12-07
公開日2003-07-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130.
J.Biol.Chem., 277, 2002
8JBJ
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BU of 8jbj by Molmil
Crystal structure of anti-PVRIG Fab
分子名称: antibody heavy chain, antibody light chain
著者Sun, J, Li, X.L, Song, J.
登録日2023-05-09
公開日2023-06-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity.
Mabs, 15, 2023
8HDJ
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BU of 8hdj by Molmil
Periplasmic domain of RsgI2 of Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI2, Periplasmic domain of RsgI2
著者Chen, C, Dong, S, Feng, Y.G.
登録日2022-11-04
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HER
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BU of 8her by Molmil
Solution structure of the periplasmic domain of RsgI6 from Clostridium thermocellum
分子名称: Anti-sigma factor
著者Chen, C, Feng, Y.
登録日2022-11-08
公開日2023-05-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HEP
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BU of 8hep by Molmil
Solution structure of the periplasmic domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
分子名称: Anti-sigma factor
著者Chen, C, Feng, Y.
登録日2022-11-08
公開日2023-05-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HEQ
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BU of 8heq by Molmil
Solution structure of the periplasmic domain of the anti-sigma factor RsgI2 from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI2
著者Chen, C, Feng, Y.
登録日2022-11-08
公開日2023-05-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
5ZCX
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BU of 5zcx by Molmil
Structure of T20/N39
分子名称: Envelope glycoprotein, Envelope glycoprotein gp160
著者Zhang, X.J, Ding, X.H.
登録日2018-02-21
公開日2018-10-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural and functional characterization of HIV-1 cell fusion inhibitor T20.
AIDS, 33, 2019
5Z2C
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BU of 5z2c by Molmil
Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose
分子名称: Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
著者Ding, J, She, Y, Shao, F.
登録日2018-01-02
公開日2018-08-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
5ENR
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BU of 5enr by Molmil
MBX3135 bound structure of bacterial efflux pump.
分子名称: DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB, ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide
著者Sjuts, H, Ornik, A.R, Pos, K.M.
登録日2015-11-09
公開日2016-04-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ENO
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BU of 5eno by Molmil
MBX2319 bound structure of bacterial efflux pump.
分子名称: 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB
著者Sjuts, H, Ornik, A.R, Pos, K.M.
登録日2015-11-09
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016

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件を2025-07-09に公開中

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