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PDB: 385 results

5SXN
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BU of 5sxn by Molmil
Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W.
Deposit date:2016-08-09
Release date:2016-11-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
5SY2
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BU of 5sy2 by Molmil
Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide, ...
Authors:Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W.
Deposit date:2016-08-10
Release date:2016-11-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
5V19
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BU of 5v19 by Molmil
Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide
Authors:Dougan, D.R, Lawson, J.D, Lane, W.
Deposit date:2017-03-01
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.
Bioorg. Med. Chem. Lett., 27, 2017
5H5Q
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BU of 5h5q by Molmil
Crystal structure of human GPX4 in complex with GXpep-1
Descriptor: GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ...
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2016-11-09
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
5H7H
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BU of 5h7h by Molmil
Crystal structure of the BCL6 BTB domain in complex with F1324(10-13)
Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, F1324 peptide residues 10-13
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2016-11-18
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
5TMG
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BU of 5tmg by Molmil
Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W.
Deposit date:2016-10-12
Release date:2017-10-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
To be published
5H7G
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BU of 5h7g by Molmil
Crystal structure of the BCL6 BTB domain in complex with F1324
Descriptor: B-cell lymphoma 6 protein, F1324 peptide, SULFATE ION
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2016-11-18
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
5H5R
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BU of 5h5r by Molmil
Crystal structure of human GPX4 in complex with GXpep-2
Descriptor: GLYCEROL, GXpep-2, Phospholipid hydroperoxide glutathione peroxidase, ...
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2016-11-09
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
5H5S
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BU of 5h5s by Molmil
Crystal structure of human GPX4 in complex with GXpep-3
Descriptor: GLYCEROL, GXpep-3, Phospholipid hydroperoxide glutathione peroxidase, ...
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2016-11-09
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
7F3O
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BU of 7f3o by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653
Descriptor: 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2021-06-16
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021

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