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7CID
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BU of 7cid by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI4
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BU of 7ci4 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIC
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BU of 7cic by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI9
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BU of 7ci9 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI5
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BU of 7ci5 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIB
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BU of 7cib by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI7
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BU of 7ci7 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI8
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BU of 7ci8 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIE
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BU of 7cie by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIA
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BU of 7cia by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI6
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BU of 7ci6 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
6GYX
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BU of 6gyx by Molmil
Crystal structure of DacA from Staphylococcus aureus in complex with ApCpp
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Diadenylate cyclase, MANGANESE (II) ION
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYW
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BU of 6gyw by Molmil
Crystal structure of DacA from Staphylococcus aureus
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYY
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BU of 6gyy by Molmil
Crystal structure of DacA from Staphylococcus aureus, N166C/T172C double mutant
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
5WVO
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BU of 5wvo by Molmil
Crystal structure of DNMT1 RFTS domain in complex with K18/K23 mono-ubiquitylated histone H3
Descriptor: DNA (cytosine-5)-methyltransferase 1, Histone H3.1, Ubiquitin, ...
Authors:Ishiyama, S, Nishiyama, A, Nakanishi, M, Arita, K.
Deposit date:2016-12-28
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structure of the Dnmt1 Reader Module Complexed with a Unique Two-Mono-Ubiquitin Mark on Histone H3 Reveals the Basis for DNA Methylation Maintenance
Mol. Cell, 68, 2017
5B74
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BU of 5b74 by Molmil
Crystal structure of conjoined Pyrococcus furiosus L-asparaginase with peptide
Descriptor: CHLORIDE ION, CITRATE ANION, L-asparaginase, ...
Authors:Sharma, P, Tomar, R, Nath, S.K, Kundu, B, Ashish, F.
Deposit date:2016-06-05
Release date:2017-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
1AK2
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BU of 1ak2 by Molmil
ADENYLATE KINASE ISOENZYME-2
Descriptor: ADENYLATE KINASE ISOENZYME-2, SULFATE ION
Authors:Schlauderer, G.J, Schulz, G.E.
Deposit date:1995-12-29
Release date:1996-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The structure of bovine mitochondrial adenylate kinase: comparison with isoenzymes in other compartments.
Protein Sci., 5, 1996
5CBP
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BU of 5cbp by Molmil
Crystal Structure of Conjoint Pyrococcus furiosus L-asparaginase at 37 degree C
Descriptor: CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Sharma, P, Yadav, S.P, Tomar, R, Kundu, B, Ashish, F.
Deposit date:2015-07-01
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.358 Å)
Cite:Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
5B5U
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BU of 5b5u by Molmil
Crystal structure of truncated Pyrococcus furiosus L-asparaginase with peptide
Descriptor: ASPARTIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Sharma, P, Tomar, R, Nath, S.K, Kundu, B, Ashish, F.
Deposit date:2016-05-23
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
2YRG
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BU of 2yrg by Molmil
Solution structure of the B-box domain from tripartite motif-containing protein 5
Descriptor: Tripartite motif-containing protein 5, ZINC ION
Authors:Qin, X.R, Hayahsi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-02
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the B-box domain from tripartite motif-containing protein 5
To be Published
2YQI
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BU of 2yqi by Molmil
Solution structure of the second HMG-box domain from high mobility group protein B3
Descriptor: High mobility group protein B3
Authors:Qin, X.R, Hayahsi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-30
Release date:2008-04-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the second HMG-box domain from high mobility group protein B3
To be Published
2YSR
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BU of 2ysr by Molmil
Solution structure of the DEP domain from human DEP domain-containing protein 1
Descriptor: DEP domain-containing protein 1
Authors:Zhang, H.P, Hayahsi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the DEP domain from human DEP domain-containing protein 1
To be Published
3IFN
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BU of 3ifn by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-40:12A11) complex
Descriptor: 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein
Authors:Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
Deposit date:2009-07-24
Release date:2009-11-17
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3IFO
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BU of 3ifo by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:10D5) complex
Descriptor: 10D5 FAB antibody heavy chain, 10D5 FAB antibody light chain, Amyloid beta A4 protein
Authors:Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
Deposit date:2009-07-24
Release date:2009-11-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
7KPZ
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BU of 7kpz by Molmil
1.70 A resolution crystal structure of Group A Streptococcus HupZ-V5-His6
Descriptor: HupZ
Authors:Li, J, Liu, A.
Deposit date:2020-11-13
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Heme Binding to HupZ with a C-Terminal Tag from Group A Streptococcus.
Molecules, 26, 2021

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数据于2024-10-16公开中

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