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5O7J
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BU of 5o7j by Molmil
Structural insights into the periplasmic sensor domain of the GacS histidine kinase controlling biofilm formation in Pseudomonas aeruginosa
Descriptor: Histidine kinase
Authors:Ali-Ahmad, A, Bornet, O, Fadel, F, Bourne, Y, Vincent, F, Guerlesquin, F, Sebban-Kreuzer, C.
Deposit date:2017-06-09
Release date:2018-02-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional insights into the periplasmic detector domain of the GacS histidine kinase controlling biofilm formation in Pseudomonas aeruginosa.
Sci Rep, 7, 2017
5JVK
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BU of 5jvk by Molmil
Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2.
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Ali-Ahmad, A, Garron, M.L, Zamboni, V, Lenfant, N, Bourne, Y, Vincent, F.
Deposit date:2016-05-11
Release date:2016-12-07
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2.
J. Struct. Biol., 197, 2017
6SEG
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BU of 6seg by Molmil
Class1: CENP-A nucleosome in complex with CENP-C central region
Descriptor: DNA (145-MER), Histone H2A type 2-A, Histone H2B type 1-C/E/F/G/I, ...
Authors:Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
Deposit date:2019-07-30
Release date:2019-08-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
6SE0
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BU of 6se0 by Molmil
Class 1 : CENP-A nucleosome
Descriptor: DNA (145-MER), Histone H2A type 2-A, Histone H2B type 1-C/E/F/G/I, ...
Authors:Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
6SE6
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BU of 6se6 by Molmil
Class2 : CENP-A nucleosome in complex with CENP-C central region
Descriptor: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
Authors:Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
6SEE
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BU of 6see by Molmil
Class2A : CENP-A nucleosome in complex with CENP-C central region
Descriptor: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
Authors:Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
6G7B
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BU of 6g7b by Molmil
Nt2 domain of the TssA component from the type VI secretion system of Aeromonas hydrophila.
Descriptor: ImpA-related domain protein
Authors:Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
Deposit date:2018-04-05
Release date:2018-11-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6SEF
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BU of 6sef by Molmil
Class2C : CENP-A nucleosome in complex with CENP-C central region
Descriptor: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
Authors:Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
6G7C
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BU of 6g7c by Molmil
Nt2-CTD domains of the TssA component from the type VI secretion system of Aeromonas hydrophila.
Descriptor: ImpA-related domain protein
Authors:Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
Deposit date:2018-04-05
Release date:2018-11-21
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6H8E
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BU of 6h8e by Molmil
Truncated derivative of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia
Descriptor: Type VI secretion protein ImpA
Authors:Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
Deposit date:2018-08-02
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6HS5
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BU of 6hs5 by Molmil
N-terminal domain including the conserved ImpA_N region of the TssA component of the type VI secretion system from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, TssA
Authors:Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
Deposit date:2018-09-28
Release date:2018-11-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6H8F
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BU of 6h8f by Molmil
Fragment of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia
Descriptor: TssA
Authors:Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
Deposit date:2018-08-02
Release date:2018-11-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6HS6
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BU of 6hs6 by Molmil
C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia
Descriptor: Type VI secretion protein ImpA
Authors:Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
Deposit date:2018-09-28
Release date:2018-11-21
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
4U7O
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BU of 4u7o by Molmil
Active histidine kinase bound with ATP
Descriptor: AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein
Authors:Cai, Y, Hu, X, Sang, J.
Deposit date:2014-07-31
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
4U7N
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BU of 4u7n by Molmil
Inactive structure of histidine kinase
Descriptor: Histidine protein kinase sensor protein
Authors:Cai, Y, Hu, X, Sang, J.
Deposit date:2014-07-31
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
7JY3
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BU of 7jy3 by Molmil
Structure of HbA with compound 23 (PF-07059013)
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY0
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BU of 7jy0 by Molmil
Structure of HbA with compound 9
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
5GRR
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BU of 5grr by Molmil
Crystal structure of MCR-1
Descriptor: GLYCEROL, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Ma, G, Zhu, Y, Yu, Z, Zhang, H.
Deposit date:2016-08-12
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High resolution crystal structure of the catalytic domain of MCR-1
Sci Rep, 6, 2016
4ZKI
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BU of 4zki by Molmil
The crystal structure of Histidine Kinase YycG with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histidine kinase
Authors:Cai, Y.
Deposit date:2015-04-30
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK
Acta Crystallogr D Struct Biol, 73, 2017
5C93
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BU of 5c93 by Molmil
Histidine kinase with ATP
Descriptor: Histidine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Cai, Y.
Deposit date:2015-06-26
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
5JQ1
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BU of 5jq1 by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5JPV
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BU of 5jpv by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
6LJ1
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BU of 6lj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer
Descriptor: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
Authors:Zhang, H, Ma, G.
Deposit date:2019-12-13
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020

 

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