5FLO
| Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-10-28 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
|
|
3NF9
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-10 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
|
|
3NFA
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-10 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
|
|
3NF6
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-09 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
|
|
3NF7
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-09 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
|
|
3NF8
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-09 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
|
|
5EH7
| human carbonic anhydrase II in complex with ligand | Descriptor: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B. | Deposit date: | 2015-10-28 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.425 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
|
|
5EH5
| human carbonic anhydrase II in complex with ligand | Descriptor: | 1.7.6 4-methylpyrimidine-2-sulfonamide, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B. | Deposit date: | 2015-10-28 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.207 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
|
|
5EHV
| human carbonic anhydrase II in complex with ligand | Descriptor: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B. | Deposit date: | 2015-10-29 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.208 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
|
|
5EH8
| human carbonic anhydrase II in complex with ligand | Descriptor: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B. | Deposit date: | 2015-10-28 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
|
|
5EHW
| human carbonic anhydrase II in complex with ligand | Descriptor: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B. | Deposit date: | 2015-10-29 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
|
|
3ZCM
| |