3DUY
| Crystal structure of human beta-secretase in complex with NVP-AFJ144 | Descriptor: | (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2008-07-18 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3DVS
| |
3DV1
| Crystal structure of human beta-secretase in complex with NVP-ARV999 | Descriptor: | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2008-07-18 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19, 2009
|
|
4G4B
| Room temperature X-ray diffraction study of cisplatin binding to HEWL in DMSO media with NAG after 7 months of crystal storage | Descriptor: | CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ... | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Kroon-Batenburg, L.M.J, Helliwell, J.R. | Deposit date: | 2012-07-16 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Room-temperature X-ray diffraction studies of cisplatin and carboplatin binding to His15 of HEWL after prolonged chemical exposure. Acta Crystallogr.,Sect.F, 68, 2012
|
|
4KS3
| Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S, Russell, R.J.M. | Deposit date: | 2013-05-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
|
|
4K69
| Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid | Descriptor: | (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-15 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
|
|
3DXH
| Ribonuclease A uridine 5' diphosphate complex | Descriptor: | Ribonuclease pancreatic, URIDINE-5'-DIPHOSPHATE | Authors: | Tsirkone, V.G, Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Kontou, M. | Deposit date: | 2008-07-24 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibitor design to Ribonuclease A: The binding of two 5'phosphate uridine analogues Acta Crystallogr.,Sect.F, 2009
|
|
4EF0
| |
3DYB
| proteinase K- digalacturonic acid complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Proteinase K, ... | Authors: | Larson, S.B, Day, J.S, McPherson, A, Cudney, R, Nguyen, C, Center for High-Throughput Structural Biology (CHTSB) | Deposit date: | 2008-07-25 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | High-resolution structure of proteinase K cocrystallized with digalacturonic acid. Acta Crystallogr.,Sect.F, 65, 2009
|
|
4K9X
| Complex of human CYP3A4 with a desoxyritonavir analog | Descriptor: | 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
|
|
4EP6
| Crystal structure of the XplA heme domain in complex with imidazole and PEG | Descriptor: | Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ... | Authors: | Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA. J.Biol.Chem., 287, 2012
|
|
4BVM
| The peripheral membrane protein P2 from human myelin at atomic resolution | Descriptor: | CITRIC ACID, MYELIN P2 PROTEIN, PALMITIC ACID, ... | Authors: | Ruskamo, S, Yadav, R.P, Kursula, P. | Deposit date: | 2013-06-26 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Atomic Resolution View Into the Structure-Function Relationships of the Human Myelin Peripheral Membrane Protein P2 Acta Crystallogr.,Sect.D, 70, 2014
|
|
4K8Y
| Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) | Descriptor: | Kallikrein-4, Trypsin inhibitor 1 | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | Deposit date: | 2013-04-19 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
|
|
4EIK
| |
3DJQ
| Bovine Seminal Ribonuclease- Uridine 5' diphosphate complex | Descriptor: | Seminal ribonuclease, URIDINE-5'-DIPHOSPHATE | Authors: | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | Deposit date: | 2008-06-24 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
|
|
4C28
| Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide. | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Vieira, D.F, Calvet, C.M, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2013-08-16 | Release date: | 2014-09-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57, 2014
|
|
3DJV
| Bovine Seminal Ribonuclease- cytidine 3' phosphate complex | Descriptor: | CYTIDINE-3'-MONOPHOSPHATE, Seminal ribonuclease | Authors: | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | Deposit date: | 2008-06-24 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
|
|
4EJ8
| |
4BQ9
| Crystal structure of the FN5 and FN6 domains of NEO1, form 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NEOGENIN | Authors: | Bell, C.H, Healey, E, van Erp, S, Bishop, B, Tang, C, Gilbert, R.J.C, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2013-05-30 | Release date: | 2013-06-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub Science, 341, 2013
|
|
4EJJ
| Human Cytochrome P450 2A6 in complex with nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2012-04-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes. J.Biol.Chem., 287, 2012
|
|
4EX1
| Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-04-29 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
|
|
4EXZ
| |
4EY9
| Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-05-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
|
|
4EYD
| Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-05-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
|
|
4KL1
| HCN4 CNBD in complex with cGMP | Descriptor: | ACETATE ION, CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, ... | Authors: | Lolicato, M, Arrigoni, C, Zucca, S, Nardini, M, Bucchi, A, Schroeder, I, Simmons, K, Bolognesi, M, DiFrancesco, D, Schwede, F, Fishwick, C.W.G, Johnson, A.P.K, Thiel, G, Moroni, A. | Deposit date: | 2013-05-07 | Release date: | 2014-04-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyclic dinucleotides bind the C-linker of HCN4 to control channel cAMP responsiveness. Nat.Chem.Biol., 10, 2014
|
|