1XUO
| X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution | Descriptor: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION | Authors: | Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K. | Deposit date: | 2004-10-26 | Release date: | 2005-10-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1 Bioorg.Med.Chem.Lett., 15, 2005
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4Z7M
| Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase, N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide | Authors: | Rose, J.A, Lahiri, S.D, McKinney, D.C, Albert, R, Morningstar, M, Shapiro, A.B, Fisher, S.F, Fleming, P.R. | Deposit date: | 2015-04-07 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity To be Published
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3IW4
| Crystal structure of PKC alpha in complex with NVP-AEB071 | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type | Authors: | Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes J.Med.Chem., 52, 2009
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4MCD
| hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Lahiri, S. | Deposit date: | 2013-08-21 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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4MCC
| HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE | Descriptor: | N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Olivier, N.B, Hill, P. | Deposit date: | 2013-08-21 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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4MCB
| H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE | Descriptor: | ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ... | Authors: | Olivier, N.B, Hill, P. | Deposit date: | 2013-08-21 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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4AC3
| S.pneumoniae GlmU in complex with an antibacterial inhibitor | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-12-12 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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4AAW
| S.pneumoniae GlmU in complex with an antibacterial inhibitor | Descriptor: | 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-12-05 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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4AA7
| E.coli GlmU in complex with an antibacterial inhibitor | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-11-30 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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