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4M02
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BU of 4m02 by Molmil
Middle fragment(residues 494-663) of the binding region of SraP
分子名称: CALCIUM ION, GLYCEROL, Serine-rich adhesin for platelets
著者Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z.
登録日2013-08-01
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
4M03
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BU of 4m03 by Molmil
C-terminal fragment(residues 576-751) of binding region of SraP
分子名称: CALCIUM ION, Serine-rich adhesin for platelets
著者Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z.
登録日2013-08-01
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
4M01
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BU of 4m01 by Molmil
N terminal fragment(residues 245-575) of binding region of SraP
分子名称: CALCIUM ION, GLYCEROL, Serine-rich adhesin for platelets
著者Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z.
登録日2013-08-01
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
3V35
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BU of 3v35 by Molmil
Aldose reductase complexed with a nitro compound
分子名称: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ...
著者Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
登録日2011-12-13
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
7T5S
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BU of 7t5s by Molmil
P. aeruginosa LpxA in complex with ligand H16
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide
著者Sacco, M, Chen, Y.
登録日2021-12-13
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T5R
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BU of 7t5r by Molmil
P. aeruginosa LpxA in complex with ligand H7
分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL
著者Sacco, M, Chen, Y.
登録日2021-12-13
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T5Z
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BU of 7t5z by Molmil
P. aeruginosa LpxA in complex with ligand L8
分子名称: (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER
著者Sacco, M, Chen, Y.
登録日2021-12-13
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T5X
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BU of 7t5x by Molmil
P. aeruginosa LpxA in complex with ligand L6
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide
著者Sacco, M, Chen, Y.
登録日2021-12-13
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7U9B
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BU of 7u9b by Molmil
Crystal structure of indoline 7 with KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone
著者Akhtar, A, Chen, Y.
登録日2022-03-10
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
7UA7
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BU of 7ua7 by Molmil
Crystal structure of indoline 9 with KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate
著者Akhtar, A, Chen, Y.
登録日2022-03-11
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
7U8S
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BU of 7u8s by Molmil
Crystal Structure of KPC-2 with compound 2
分子名称: 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Carbapenem-hydrolyzing beta-lactamase KPC
著者Akhtar, A, Chen, Y.
登録日2022-03-09
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
7U70
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BU of 7u70 by Molmil
Crystal Structure of CTX-M-14 with compound 2
分子名称: 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Beta-lactamase
著者Akhtar, A, Chen, Y.
登録日2022-03-07
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
3HW3
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BU of 3hw3 by Molmil
The crystal structure of avian influenza virus PA_N in complex with UMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
4PAS
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BU of 4pas by Molmil
Heterodimeric coiled-coil structure of human GABA(B) receptor
分子名称: Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2
著者Burmakina, S, Geng, Y, Chen, Y, Fan, Q.R.
登録日2014-04-10
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Heterodimeric coiled-coil interactions of human GABAB receptor.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N4Y
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BU of 4n4y by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Li, Y, Chen, Y, Stout, C.D.
登録日2013-10-08
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus
To be Published
3HW5
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BU of 3hw5 by Molmil
crystal structure of avian influenza virus PA_N in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Polymerase acidic protein
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Liang, S, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
7T60
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BU of 7t60 by Molmil
P. aeruginosa LpxA in complex with ligand L13
分子名称: (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ...
著者Sacco, M, Chen, Y.
登録日2021-12-13
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T61
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BU of 7t61 by Molmil
P. aeruginosa LpxA in complex with ligand L15
分子名称: (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ...
著者Sacco, M, Chen, Y.
登録日2021-12-13
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
3HW6
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BU of 3hw6 by Molmil
Crystal structure of avian influenza virus PA_N in complex with Mn
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
3HW4
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BU of 3hw4 by Molmil
Crystal structure of avian influenza A virus in complex with TMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
6BGJ
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BU of 6bgj by Molmil
Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG
分子名称: Anoctamin-1, CALCIUM ION
著者Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y.
登録日2017-10-28
公開日2017-12-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
6BGI
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BU of 6bgi by Molmil
Cryo-EM structure of the TMEM16A calcium-activated chloride channel in nanodisc
分子名称: Anoctamin-1, CALCIUM ION
著者Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, J, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y.
登録日2017-10-28
公開日2017-12-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
4XXR
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BU of 4xxr by Molmil
Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase
分子名称: CTX-M-14 Class A Beta-Lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
著者Lewandowski, E.M, Chen, Y.
登録日2015-01-30
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated beta-lactam antibiotic.
Chem.Commun.(Camb.), 51, 2015
2XQZ
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BU of 2xqz by Molmil
Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase
分子名称: BETA-LACTAMSE TOHO-1
著者Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L.
登録日2010-09-08
公開日2010-12-22
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation.
FEBS Lett., 585, 2011
3Q2C
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BU of 3q2c by Molmil
Binding properties to HLA class I molecules and the structure of the leukocyte Ig-like receptor A3 (LILRA3/ILT6/LIR4/CD85e)
分子名称: Leukocyte immunoglobulin-like receptor subfamily A member 3
著者Ryu, M, Chen, Y, Qi, J.X, Liu, J, Shi, Y, Cheng, H, Gao, G.F.
登録日2010-12-20
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献LILRA3 binds both classical and non-classical HLA class I molecules but with reduced affinities compared to LILRB1/LILRB2: structural evidence
Plos One, 6, 2011

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件を2024-08-07に公開中

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