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PDB: 169 件
4M1J
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BU of 4m1j by Molmil
Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue
分子名称: Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ...
著者Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D.
登録日2013-08-02
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme.
Acs Chem.Biol., 8, 2013
7WJU
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BU of 7wju by Molmil
Cryo-EM structure of the AsCas12f1-sgRNAv1-dsDNA ternary complex
分子名称: Non-target strand, OrfB_Zn_ribbon domain-containing protein, Target strand, ...
著者Wu, Z, Liu, D, Shen, H, Ji, Q.
登録日2022-01-07
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Structure-directed functional evolution of the miniature CRISPR-AsCas12f1 system
To Be Published
6J8I
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BU of 6j8i by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6J8G
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BU of 6j8g by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up)
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, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6J8H
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BU of 6j8h by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down)
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, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6J8J
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BU of 6j8j by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
4PVG
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BU of 4pvg by Molmil
Crystal structure of protein tyrosine phosphatase Shp2 catalytic domain complex with small molecular compound L88N79
分子名称: 2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1H-indole-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.-Y, Zeng, L, Liu, D, Yu, Z.
登録日2014-03-17
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of protein tyrosine Shp2 catalytic domain complex with compound L88N79
To be Published
4RBN
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BU of 4rbn by Molmil
The crystal structure of Nitrosomonas europaea sucrose synthase: Insights into the evolutionary origin of sucrose metabolism in prokaryotes
分子名称: Sucrose synthase:Glycosyl transferases group 1
著者Wu, R, Asencion Diez, M.D, Figueroa, C.M, Machtey, M, Iglesias, A.A, Ballicora, M.A, Liu, D.
登録日2014-09-12
公開日2015-07-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献The Crystal Structure of Nitrosomonas europaea Sucrose Synthase Reveals Critical Conformational Changes and Insights into Sucrose Metabolism in Prokaryotes.
J.Bacteriol., 197, 2015
3RZ2
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BU of 3rz2 by Molmil
Crystal of Prl-1 complexed with peptide
分子名称: Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1
著者Zhang, Z.-Y, Liu, D, Bai, Y.
登録日2011-05-11
公開日2011-10-26
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein.
J.Biol.Chem., 286, 2011
7ULU
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BU of 7ulu by Molmil
Human DDAH1 soaked with its inhibitor ClPyrAA
分子名称: (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
著者Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W.
登録日2022-04-05
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
7ULX
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BU of 7ulx by Molmil
Human DDAH1 soaked with its inhibitor N4-(4-chloropyridin-2-yl)-L-asparagine
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N-(pyridin-2-yl)-L-asparagine
著者Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W.
登録日2022-04-05
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
7ULV
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BU of 7ulv by Molmil
Human DDAH1 soaked with its inactivator S-((4-chloropyridin-2-yl)methyl)-L-cysteine
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, S-[(pyridin-2-yl)methyl]-L-cysteine
著者Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W.
登録日2022-04-05
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
7EZO
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BU of 7ezo by Molmil
GH10 domain of bifunctional endoxylanase and arabinofuranosidase of Bi0569
分子名称: endoxylanase/arabinofuranosidase
著者Wang, C.Y, Liu, D.
登録日2021-06-01
公開日2022-07-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.80005527 Å)
主引用文献GH10 domain of bifunctional endoxylanase and arabinofuranosidase of Bi0569
To Be Published
7JH4
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BU of 7jh4 by Molmil
Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R.
登録日2020-07-20
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NfoR: Chromate Reductase or Flavin Mononucleotide Reductase?
Appl.Environ.Microbiol., 86, 2020
7W9P
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BU of 7w9p by Molmil
Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV pi helix conformer)
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Yan, N, Huang, G, Liu, D, Wei, P, Shen, H.
登録日2021-12-10
公開日2022-05-25
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
7W9M
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BU of 7w9m by Molmil
Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (S6IV pi helix conformer)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, N, Huang, G, Liu, D, Wei, P, Shen, H.
登録日2021-12-10
公開日2022-05-25
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
7W9T
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BU of 7w9t by Molmil
Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV alpha helix conformer)
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Yan, N, Huang, G, Liu, D, Wei, P.
登録日2021-12-10
公開日2022-05-25
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
7W9K
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BU of 7w9k by Molmil
Cryo-EM structure of human Nav1.7-beta1-beta2 complex at 2.2 angstrom resolution
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Yan, N, Huang, G, Liu, D, Wei, P, Shen, H.
登録日2021-12-09
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
7W9L
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BU of 7w9l by Molmil
Cryo-EM structure of human Nav1.7(E406K)-beta1-beta2 complex
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Yan, N, Huang, G, Liu, D, Wei, P, Shen, H.
登録日2021-12-10
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022

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