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6Z25
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BU of 6z25 by Molmil
Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-4 (E166Q)
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-14
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
6ZB4
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BU of 6zb4 by Molmil
SARS CoV-2 Spike protein, Closed conformation, C1 symmetry
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I.
登録日2020-06-06
公開日2020-09-30
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
6Z23
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BU of 6z23 by Molmil
Acylenzyme complex of cefotaxime bound to deacylation mutant KPC-2 (E166Q)
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-14
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
6Z24
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BU of 6z24 by Molmil
Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-2 (E166Q)
分子名称: ACYLATED CEFTAZIDIME, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-14
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
6ZT1
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BU of 6zt1 by Molmil
Two states of a de novo hexameric coiled coil assembly CC-Type2-(LaIdGe)4
分子名称: CC-Type2-(LaIdGe)4
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2020-07-17
公開日2021-02-03
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural resolution of switchable states of a de novo peptide assembly.
Nat Commun, 12, 2021
6ZB5
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BU of 6zb5 by Molmil
SARS CoV-2 Spike protein, Closed conformation, C3 symmetry
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I.
登録日2020-06-07
公開日2020-09-30
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
6Z22
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BU of 6z22 by Molmil
Crystal structure of deacylation mutant KPC-4 (E166Q)
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-14
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
6DMH
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BU of 6dmh by Molmil
A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
6G65
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BU of 6g65 by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-VV
分子名称: CC-Type2-VV
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6C
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BU of 6g6c by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17E
分子名称: CC-Type2-LL-L17E
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G67
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BU of 6g67 by Molmil
Crystal structure of a parallel eight-helix coiled coil CC-Type2-II
分子名称: CC-Type2-II, GLYCEROL
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6A
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BU of 6g6a by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-LL
分子名称: CC-Type2-LL
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6D
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BU of 6g6d by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-Sg
分子名称: CC-Type2-LL-Sg, GLYCEROL
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6G
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BU of 6g6g by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-FI
分子名称: CC-Type2-FI
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G69
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BU of 6g69 by Molmil
Crystal structure of a parallel seven-helix coiled coil CC-Type2-IL-Sg-L17E
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CC-Type2-IL-Sg-L17E
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6E
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BU of 6g6e by Molmil
Crystal structure of a parallel seven-helix coiled coil CC-Type2-deLI
分子名称: CC-Type2-deLI, GLYCEROL
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G66
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BU of 6g66 by Molmil
Crystal structure of a parallel seven-helix coiled coil CC-Type2-IV
分子名称: CC-Type2-IV, GLYCEROL
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6B
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BU of 6g6b by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17Q
分子名称: CC-Type2-LL-L17Q
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6F
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BU of 6g6f by Molmil
Crystal structure of a parallel eight-helix coiled coil CC-Type2-LF
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-LF
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G68
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BU of 6g68 by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-IL-Sg
分子名称: CC-Type2-IL-Sg, SULFATE ION
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6H
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BU of 6g6h by Molmil
Crystal structure of an antiparallel five-helix coiled coil 5H2L_2.1-I9L
分子名称: 5H2L_2.1-I9L
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
2H47
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BU of 2h47 by Molmil
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 1)
分子名称: Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION
著者Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S.
登録日2006-05-23
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
2H3X
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BU of 2h3x by Molmil
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes Faecalis (Form 3)
分子名称: Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION
著者Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S.
登録日2006-05-23
公開日2006-11-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
6QWB
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BU of 6qwb by Molmil
Crystal structure of KPC-4 complexed with relebactam (16 hour soak)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWD
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BU of 6qwd by Molmil
Crystal structure of KPC-3
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019

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