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PDB: 15 results

8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
Descriptor: Chemotaxis protein CheA, RESORCINOL
Authors:Adhav, A, Marina, A.
Deposit date:2023-06-15
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Microbiol Spectr, 2024
8P9Y
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BU of 8p9y by Molmil
SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-06
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8P99
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BU of 8p99 by Molmil
SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-05
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8OYQ
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BU of 8oyq by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13
Descriptor: Chemotaxis protein CheA, quinazolin-2-amine
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13
To Be Published
8OYZ
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BU of 8oyz by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10
Descriptor: 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10
To Be Published
8OZ9
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BU of 8oz9 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383
Descriptor: 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-08
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383
To Be Published
8P3R
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BU of 8p3r by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
Descriptor: 9~{H}-purine, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-18
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
To Be Published
8P3N
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BU of 8p3n by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
Descriptor: 9-METHYL-9H-PURIN-6-AMINE, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-18
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
To Be Published
8P59
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BU of 8p59 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
Descriptor: 7-(2-phenylethoxy)quinazolin-2-amine, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-23
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
To Be Published
5Z66
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BU of 5z66 by Molmil
Structure of periplasmic trehalase from Diamondback moth gut bacteria complexed with validoxylamine
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, GLYCEROL, Periplasmic trehalase, ...
Authors:Harne, S.R, Adhav, A.S, Joshi, R.S, Gayathri, P.
Deposit date:2018-01-22
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae.
Febs J., 286, 2019
5Z6H
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BU of 5z6h by Molmil
Structure of periplasmic trehalase from Diamondback moth gut bacteria in the apo form
Descriptor: GLYCEROL, Periplasmic trehalase, SULFATE ION
Authors:Harne, S.R, Adhav, A.S, Joshi, R.S, Gayathri, P.
Deposit date:2018-01-22
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae.
Febs J., 286, 2019
4AAP
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BU of 4aap by Molmil
Crystal structure of JMJD5 domain of human Lysine-specific demethylase 8 (KDM8) in complex with N-oxalylglycine (NOG)
Descriptor: LYSINE-SPECIFIC DEMETHYLASE 8, N-OXALYLGLYCINE, ZINC ION
Authors:Vollmar, M, Johansson, C, Krojer, T, Canning, P, Allerston, C, Gadhave, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2011-12-05
Release date:2012-02-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Jmjd5 Domain of Human Lysine- Specific Demethylase 8 (Kdm8) in Complex with N- Oxalylglycine (Nog)
To be Published
3RVH
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BU of 3rvh by Molmil
Crystal Structure of JMJD2A Complexed with Inhibitor
Descriptor: 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ...
Authors:King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Crystal Structure of JMJD2A Complexed with Inhibitor
To be Published
3NJY
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BU of 3njy by Molmil
Crystal structure of JMJD2A complexed with 5-carboxy-8-hydroxyquinoline
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
Authors:King, O.N.F, Clifton, I.J, Wang, M, Maloney, D.J, Jadhav, A, Oppermann, U, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J.
Deposit date:2010-06-18
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors
Plos One, 5, 2010
3OD4
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BU of 3od4 by Molmil
Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:King, O.N.F, Bashford-Rogers, R, Maloney, D.J, Jadhav, A, Heightman, T.D, Simeonov, A, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2010-08-10
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
To be Published

222415

PDB entries from 2024-07-10

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