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2YKB	Tricyclic series of Hsp90 inhibitors Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE Authors: Dupuy, A, Vallee, F. Deposit date: 2011-05-26 Release date: 2011-10-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
2YKC	Tricyclic series of Hsp90 inhibitors Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE Authors: Dupuy, A, Vallee, F. Deposit date: 2011-05-26 Release date: 2011-10-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
2YEG	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 6-METHYLSULFANYL-9H-PURINE, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YKJ	Tricyclic series of Hsp90 inhibitors Descriptor: 2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Dupuy, A, Vallee, F. Deposit date: 2011-05-27 Release date: 2011-10-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
2YEE	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 9-ETHYL-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
1MEM	Crystal structure of Cathepsin K complexed with a potent vinyl sulfone inhibitor Descriptor: Cathepsin K, N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide Authors: Mcgrath, M.E. Deposit date: 1997-01-08 Release date: 1998-01-14 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of human cathepsin K complexed with a potent inhibitor. Nat.Struct.Biol., 4, 1997
7RPV	Crystal structure of affinity-enhancing and catalytically inactive ACE2 in complex with SARS-CoV-2 RBD Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... Authors: Chen, Y, Tolbert, D.W, Pazgier, M. Deposit date: 2021-08-04 Release date: 2021-12-15 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.54 Å) Cite: Engineered ACE2-Fc counters murine lethal SARS-CoV-2 infection through direct neutralization and Fc-effector activities. Biorxiv, 2021
4BC1	Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... Authors: Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. Deposit date: 2012-09-30 Release date: 2013-02-06 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol., 26, 2013
2YEA	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 5-(HYDROXYMETHYL)-2-METHOXYPHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.73 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YE2	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, SULFATE ION Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YED	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: ADENINE, CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YE8	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YE7	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YEI	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YE9	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YKE	Tricyclic series of Hsp90 inhibitors Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide Authors: Dupuy, A, Vallee, F. Deposit date: 2011-05-26 Release date: 2011-10-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
2YJX	Tricyclic series of Hsp90 inhibitors Descriptor: 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Dupuy, A, Vallee, F. Deposit date: 2011-05-24 Release date: 2011-10-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
2YEH	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE, SULFATE ION Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
4BC0	Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct Descriptor: (2-methylphenyl) dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... Authors: Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. Deposit date: 2012-09-30 Release date: 2013-02-06 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.35 Å) Cite: Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol., 26, 2013
2YE4	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YEC	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 3-METHYL-1H-INDAZOL-6-OL, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YEF	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
2YEB	HSP90 inhibitors and drugs from fragment and virtual screening Descriptor: 1H-INDAZOL-6-OL, CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA Authors: Roughley, S.D, Hubbard, R.E, Baker, L.M. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
4V8W	Structure and conformational variability of the Mycobacterium tuberculosis fatty acid synthase multienzyme complex Descriptor: FLAVIN MONONUCLEOTIDE, TYPE-I FATTY ACID SYNTHASE Authors: Ciccarelli, L, Connell, S.R, Enderle, M, Mills, D.J, Vonck, J, Grininger, M. Deposit date: 2013-04-18 Release date: 2014-07-09 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (17.5 Å) Cite: Structure and Conformational Variability of the Mycobacterium Tuberculosis Fatty Acid Synthase Multienzyme Complex. Structure, 21, 2013
5VGJ	Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain Descriptor: 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ... Authors: Gorman, J, Li, J, Kwong, P.D. Deposit date: 2017-04-11 Release date: 2017-05-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.456 Å) Cite: Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop. Immunity, 46, 2017

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