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4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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
4AN6
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BU of 4an6 by Molmil
Kuntiz type trypsin inhibitor with factor Xa inhibitory activity
Descriptor: TRYPSIN INHIBITOR
Authors:Patil, D.N, Kumar, P.
Deposit date:2012-03-15
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Basis for Dual Inhibitory Role of Tamarind Kunitz Inhibitor (Tki) Against Factor Xa and Trypsin.
FEBS J., 279, 2012
3C45
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BU of 3c45 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor
Descriptor: (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Edmondson, S.D, Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
5ZS6
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BU of 5zs6 by Molmil
Dodecameric structure of a small Heat Shock Protein from Mycobacterium marinum M: Form-2
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLY-ARG-LEU-LEU, ...
Authors:Bhandari, S, Suguna, K.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81191349 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
5ZS3
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BU of 5zs3 by Molmil
Small heat shock protein from M. marinum:Form-1
Descriptor: CHLORIDE ION, GLY-ARG-LEU-LEU-PRO, Molecular chaperone (Small heat shock protein), ...
Authors:Bhandari, S, Suguna, K.
Deposit date:2018-04-27
Release date:2019-01-30
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
5ZUL
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BU of 5zul by Molmil
Small heat shock protein from Mycobacterium marinum M : Form-3
Descriptor: Small heat shock protein
Authors:Bhandari, S, Suguna, K.
Deposit date:2018-05-08
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
6IX6
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BU of 6ix6 by Molmil
Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution
Descriptor: N-PROPANOL, Peptidyl-tRNA hydrolase
Authors:Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P.
Deposit date:2018-12-09
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution
To Be Published
6IYE
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BU of 6iye by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii with 12% PEG 1500 at 1.55 A resolution.
Descriptor: Peptidyl-tRNA hydrolase
Authors:Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P.
Deposit date:2018-12-15
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii with 12% PEG 1500 at 1.55 A resolution.
To Be Published
6IVV
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BU of 6ivv by Molmil
Structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii with multiple surface binding regions at 1.26A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P.
Deposit date:2018-12-04
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure of peptide t-RNA hydrolase from Acinetobacter baumannii with multiple surface binding sites at 1.26 Angstrom resolution.
To Be Published
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