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6ESS
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BU of 6ess by Molmil
Artificial imine reductase mutant S112A-N118P-K121A-S122M
Descriptor: IRIDIUM ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Hestericova, M, Heinisch, T, Alonso-Cotchico, L, Marechal, J.-D, Vidossich, P, Ward, T.R.
Deposit date:2017-10-24
Release date:2018-01-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Directed Evolution of an Artificial Imine Reductase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6ESU
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BU of 6esu by Molmil
Artificial imine reductase mutant S112A-N118P-K121A-S122M
Descriptor: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide, ACETATE ION, IRIDIUM ION, ...
Authors:Hestericova, M, Heinisch, T, Alonso-Cotchico, L, Marechal, J.-D, Vidossich, P, Ward, T.R.
Deposit date:2017-10-24
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Directed Evolution of an Artificial Imine Reductase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5SYJ
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BU of 5syj by Molmil
Crystal structure of the D141A variant of B. pseudomallei KatGin complex with isoniazid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
5SYI
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BU of 5syi by Molmil
Structure of D141A variant of B. pseudomallei KatG complexed with INH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
7S1X
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BU of 7s1x by Molmil
Cryo-EM structure of human NKCC1 K289NA492EL671C bound with bumetanide
Descriptor: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, CHLORIDE ION, POTASSIUM ION, ...
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2021-09-02
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
7S1Z
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BU of 7s1z by Molmil
Cryo-EM structure of Human NKCC1 K289NA492EL671C
Descriptor: Solute carrier family 12 member 2
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2021-09-02
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
7S1Y
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BU of 7s1y by Molmil
Cryo-EM structure of human NKCC1 K289NA492E bound with bumetanide
Descriptor: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, CHLORIDE ION, POTASSIUM ION, ...
Authors:Zhao, Y.X, Cao, E.h.
Deposit date:2021-09-02
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
3F9P
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BU of 3f9p by Molmil
Crystal structure of myeloperoxidase from human leukocytes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Carpena, X, Fita, I, Obinger, C.
Deposit date:2008-11-14
Release date:2009-07-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Essential role of proximal histidine-asparagine interaction in Mammalian peroxidases.
J.Biol.Chem., 284, 2009
7QTL
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BU of 7qtl by Molmil
Influenza A/H7N9 polymerase elongation complex
Descriptor: 3' vRNA, 5' vRNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-01-14
Release date:2022-12-28
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
7TTI
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BU of 7tti by Molmil
Human KCC1 bound with VU0463271 In an outward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2022-02-01
Release date:2022-06-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7R1F
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BU of 7r1f by Molmil
Early transcription elongation state of influenza B polymerase backtracked due to double incoproation of nucleotide analogue T1106
Descriptor: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-02-02
Release date:2022-12-28
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
7R0E
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BU of 7r0e by Molmil
Early transcription elongation state of influenza A/H7N9 polymerase backtracked due to double incoproation of nucleotide analogue T1106 and with singly incoporated T1106 at the +1 position
Descriptor: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-02-01
Release date:2022-12-28
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
7TTH
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BU of 7tth by Molmil
Human potassium-chloride cotransporter 1 in inward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2022-02-01
Release date:2022-06-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZPM
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BU of 7zpm by Molmil
Influenza A/H7N9 polymerase apo-protein dimer complex
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
Authors:Cusack, S, Kouba, T.
Deposit date:2022-04-27
Release date:2022-12-28
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
7ZPL
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BU of 7zpl by Molmil
Symmetric dimer of influenza A/H7N9 polymerase bound to 5' vRNA hook
Descriptor: 5' vRNA, MAGNESIUM ION, Polymerase acidic protein, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-04-27
Release date:2022-12-28
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
8BE0
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BU of 8be0 by Molmil
Early transcription elongation state of influenza B/Mem polymerase backtracked due to double incoproation of nucleotide analogue T1106 and with singly incoporated T1106 at the C +1 position
Descriptor: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-10-20
Release date:2022-12-28
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
8BDR
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BU of 8bdr by Molmil
Early transcription elongation state of influenza B/Mem polymerase backtracked due to double incoproation of nucleotide analogue T1106 and with singly incoporated T1106 at the U +1 position
Descriptor: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-10-19
Release date:2022-12-28
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
8BEK
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BU of 8bek by Molmil
Early transcription elongation state of influenza A/H7N9 backtracked polymerase with singly incoporated T1106 at the U +1 position
Descriptor: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-10-21
Release date:2022-12-28
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
8BF5
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BU of 8bf5 by Molmil
Early transcription elongation state of influenza A/H7N9 polymerase stalled with incoming GTP analogue
Descriptor: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2022-10-24
Release date:2022-12-28
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
5SYK
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BU of 5syk by Molmil
Crystal structure of B. pseudomallei KatG treated with hydrogen peroxide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.
J. Am. Chem. Soc., 136, 2014
5SYH
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BU of 5syh by Molmil
Structure of D141A variant of B. pseudomallei KatG
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.
J. Am. Chem. Soc., 136, 2014
6T3S
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BU of 6t3s by Molmil
Structure of Oceanobacillus iheyensis group II intron U-mutant (C289U/C358U/G385A) in the presence of Na+, Mg2+ and 5'-exon
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC Intron Ribozyme, MAGNESIUM ION, ...
Authors:Marcia, M, Pyle, A.M.
Deposit date:2019-10-11
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Visualizing group II intron dynamics between the first and second steps of splicing.
Nat Commun, 11, 2020
6T3N
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BU of 6t3n by Molmil
Structure of Oceanobacillus iheyensis group II intron G-mutant (C289G/C358G/G385C) in the presence of Na+, Mg2+ and 5'-exon
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC Intron Ribozyme, MAGNESIUM ION, ...
Authors:Marcia, M, Pyle, A.M.
Deposit date:2019-10-11
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Visualizing group II intron dynamics between the first and second steps of splicing.
Nat Commun, 11, 2020
6T3R
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BU of 6t3r by Molmil
Structure of Oceanobacillus iheyensis group II intron U-mutant (C289U/C358U/G385A) in the presence of K+, Mg2+ and 5'-exon
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC Intron Ribozyme, MAGNESIUM ION, ...
Authors:Marcia, M, Pyle, A.M.
Deposit date:2019-10-11
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Visualizing group II intron dynamics between the first and second steps of splicing.
Nat Commun, 11, 2020
6T3K
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BU of 6t3k by Molmil
Structure of Oceanobacillus iheyensis group II intron G-mutant (C289G/C358G/G385C) in the presence of K+, Mg2+ and 5'-exon
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC Intron Ribozyme, MAGNESIUM ION, ...
Authors:Marcia, M, Pyle, A.M.
Deposit date:2019-10-11
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Visualizing group II intron dynamics between the first and second steps of splicing.
Nat Commun, 11, 2020

 

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數據於2024-07-17公開中

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