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2EW6
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BU of 2ew6 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2EW5
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BU of 2ew5 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
5WTW
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BU of 5wtw by Molmil
Hepatitis B virus core protein Y132A mutant in P 41 21 2 Space Group
分子名称: CHLORIDE ION, Core protein
著者Zhou, Z, Xu, Z.H.
登録日2016-12-15
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
5WRE
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BU of 5wre by Molmil
Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01)
分子名称: (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
著者Zhou, Z, Xu, Z.H.
登録日2016-12-01
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
8JAC
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BU of 8jac by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16
分子名称: N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAB
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BU of 8jab by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA7
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BU of 8ja7 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose
分子名称: Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA8
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BU of 8ja8 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY with trehalose bound in a closed liganded form
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA9
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BU of 8ja9 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAD
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BU of 8jad by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17
分子名称: BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAA
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BU of 8jaa by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
6IZH
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BU of 6izh by Molmil
Crystal structure of deaminase AmnE from Pseudomonas sp. AP-3
分子名称: 2-aminomuconate deaminase, MAGNESIUM ION
著者Chen, Y.J, Chen, Y.P, Su, D.
登録日2018-12-19
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献A Unique Homo-Hexameric Structure of 2-Aminomuconate Deaminase in the BacteriumPseudomonas species AP-3.
Front Microbiol, 10, 2019
7WIV
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BU of 7wiv by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with an AMP-PNP
分子名称: Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
7WIW
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BU of 7wiw by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB complexed with ATP in an occluded conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ...
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
7WIX
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BU of 7wix by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ...
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
7WIU
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BU of 7wiu by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in inward-facing state
分子名称: Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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