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PDB: 59 results

2QQI
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BU of 2qqi by Molmil
Crystal Structure of the b1b2 Domains from Human Neuropilin-1
Descriptor: GLYCEROL, Neuropilin-1
Authors:Appleton, B.A, Desmarais, W, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
3CBZ
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BU of 3cbz by Molmil
The Dvl2 PDZ Domain in Complex with the N2 Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, Dishevelled-2, PHOSPHATE ION
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
2QQJ
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BU of 2qqj by Molmil
Crystal Structure of the b1b2 Domains from Human Neuropilin-2
Descriptor: GLYCEROL, Neuropilin-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
2QQN
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BU of 2qqn by Molmil
Neuropilin-1 b1 Domain in Complex with a VEGF-Blocking Fab
Descriptor: 1,2-ETHANEDIOL, Antibody heavy chain, Antibody light chain, ...
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
2QQL
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BU of 2qql by Molmil
Neuropilin-2 a1a2b1b2 Domains in Complex with a Semaphorin-Blocking Fab
Descriptor: Antibody Heavy Chain, Antibody Light Chain, Neuropilin-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
3CC0
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BU of 3cc0 by Molmil
The Dvl2 PDZ Domain in Complex with the N3 Inhibitory Peptide
Descriptor: Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBX
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BU of 3cbx by Molmil
The Dvl2 PDZ Domain in Complex with the C1 Inhibitory Peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBY
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BU of 3cby by Molmil
The Dvl2 PDZ Domain in Complex with the N1 Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3B9V
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BU of 3b9v by Molmil
Crystal Structure of an Autonomous VH Domain
Descriptor: heavy chain variable domain
Authors:Appleton, B.A, Barthelemy, P.A, Wiesmann, C.
Deposit date:2007-11-06
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comprehensive Analysis of the Factors Contributing to the Stability and Solubility of Autonomous Human VH Domains.
J.Biol.Chem., 283, 2008
2PZD
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BU of 2pzd by Molmil
Crystal Structure of the HtrA2/Omi PDZ Domain Bound to a Phage-Derived Ligand (WTMFWV)
Descriptor: 1,2-ETHANEDIOL, Serine protease HTRA2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-05-17
Release date:2007-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional analysis of the ligand specificity of the HtrA2/Omi PDZ domain.
Protein Sci., 16, 2007
2QQK
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BU of 2qqk by Molmil
Neuropilin-2 a1a2b1b2 Domains in Complex with a Semaphorin-Blocking Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Heavy Chain, Antibody Light Chain, ...
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
2QQM
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BU of 2qqm by Molmil
Crystal Structure of the a2b1b2 Domains from Human Neuropilin-1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
2QQO
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BU of 2qqo by Molmil
Crystal Structure of the a2b1b2 Domains from Human Neuropilin-2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
2JOA
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BU of 2joa by Molmil
HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances
Descriptor: Peptide H1-C1, Serine protease HTRA1
Authors:Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S.
Deposit date:2007-03-01
Release date:2007-11-20
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3
Protein Sci., 16, 2007
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
Descriptor: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
5VAM
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BU of 5vam by Molmil
BRAF in Complex with RAF709
Descriptor: N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
5VAL
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BU of 5val by Molmil
BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide
Descriptor: N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
3BDY
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BU of 3bdy by Molmil
Dual specific bH1 Fab in complex with VEGF
Descriptor: Fab Fragment -Heavy Chain, Fab Fragment -Light Chain, GLYCEROL, ...
Authors:Bostrom, J.M, Wiesmann, C, Appleton, B.A.
Deposit date:2007-11-15
Release date:2008-11-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
3BE1
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BU of 3be1 by Molmil
Dual specific bH1 Fab in complex with the extracellular domain of HER2/ErbB-2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Fragment-Heavy Chain, ...
Authors:Bostrom, J.M, Wiesmann, C, Appleton, B.A.
Deposit date:2007-11-15
Release date:2008-11-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
6CHM
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BU of 6chm by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with N-(2-(5-methoxy-1H-indol-3-yl)ethyl)pivalamide
Descriptor: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CHP
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BU of 6chp by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate
Descriptor: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CCL
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BU of 6ccl by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine
Descriptor: 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCK
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BU of 6cck by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
Descriptor: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018

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数据于2024-11-06公开中

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