3GYI
| |
3LN0
| Structure of compound 5c-S bound at the active site of COX-2 | Descriptor: | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | Deposit date: | 2010-02-01 | Release date: | 2010-10-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
|
|
2R7P
| Crystal Structure of H225A NSP2 and AMPPNP complex | Descriptor: | Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Kumar, M, Prasad, B.V.V. | Deposit date: | 2007-09-09 | Release date: | 2007-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity J.Virol., 81, 2007
|
|
3Q8G
| Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CRAL-TRIO domain-containing protein YKL091C, GLYCEROL | Authors: | Ortlund, E.A, Schaaf, G, Bankaitis, V.A. | Deposit date: | 2011-01-06 | Release date: | 2011-02-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution. Mol.Biol.Cell, 22, 2011
|
|
3LR6
| Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | Descriptor: | Major ampullate spidroin 1, TRIETHYLENE GLYCOL | Authors: | Askarieh, G, Hedhammar, H, Nordling, K, Saenz, A, Casals, C, Rising, A, Johansson, J, Knight, S.D. | Deposit date: | 2010-02-10 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay. Nature, 465, 2010
|
|
6LN6
| CryoEM structure of SERCA2b T1032stop in E1-2Ca2+-AMPPCP (class2) | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Zhang, Y, Tsutsumi, A, Watanabe, S, Inaba, K. | Deposit date: | 2019-12-28 | Release date: | 2020-08-26 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail. Sci Adv, 6, 2020
|
|
3LR2
| Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1 | Authors: | Askarieh, G, Hedhammar, H, Nordling, K, Johansson, J, Knight, S.D, Rising, A, Casals, C, Saenz, A. | Deposit date: | 2010-02-10 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay. Nature, 465, 2010
|
|
4GE7
| Kynurenine Aminotransferase II Inhibitors | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Pandit, J. | Deposit date: | 2012-08-01 | Release date: | 2012-11-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
|
|
7NP1
| Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin light chain, Immunoglobulin gamma-1 heavy chain, ... | Authors: | Hall, G, Cowan, R, Carr, M. | Deposit date: | 2021-02-26 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses. Front Immunol, 12, 2021
|
|
3H96
| Msmeg_3358 F420 Reductase | Descriptor: | 1,2-ETHANEDIOL, F420-H2 Dependent Reductase A | Authors: | Jackson, C.J, French, N, Newman, J, Taylor, M.C, Russell, R.J, Oakeshott, J.G. | Deposit date: | 2009-04-30 | Release date: | 2010-04-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and characterization of two families of F420 H2-dependent reductases from Mycobacteria that catalyse aflatoxin degradation. Mol.Microbiol., 78, 2010
|
|
3LR8
| Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1, ... | Authors: | Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D. | Deposit date: | 2010-02-10 | Release date: | 2010-05-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay. Nature, 465, 2010
|
|
3LN1
| Structure of celecoxib bound at the COX-2 active site | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | Deposit date: | 2010-02-01 | Release date: | 2010-10-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3H5U
| Hepatitis C virus polymerase NS5B with saccharin inhibitor 1 | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | Authors: | Harris, S.F, Ghate, M. | Deposit date: | 2009-04-22 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides Bioorg.Med.Chem.Lett., 19, 2009
|
|
3LXE
| Human Carbonic Anhydrase I in complex with topiramate | Descriptor: | Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | Authors: | Alterio, V, De Simone, G, Monti, S.M, Truppo, E. | Deposit date: | 2010-02-25 | Release date: | 2010-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex. Org.Biomol.Chem., 2010
|
|
7NDX
| Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC | Descriptor: | 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC | Authors: | Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M. | Deposit date: | 2021-02-02 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems. Mol.Cell, 82, 2022
|
|
3LRD
| Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | Descriptor: | 1,2-ETHANEDIOL, Major ampullate spidroin 1, TRIETHYLENE GLYCOL | Authors: | Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D, Saenz, A, Casals, C. | Deposit date: | 2010-02-11 | Release date: | 2010-05-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay. Nature, 465, 2010
|
|
3QTE
| |
4HSI
| |
7N18
| Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid | Descriptor: | (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ... | Authors: | Silvaggi, N.R, Allen, K.N. | Deposit date: | 2021-05-27 | Release date: | 2022-07-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease. Acs Med.Chem.Lett., 12, 2021
|
|
3NZU
| |
3NZS
| |
4HT4
| |
4HTE
| |
2RMS
| Solution structure of the mSin3A PAH1-SAP25 SID complex | Descriptor: | MSin3A-binding protein, Paired amphipathic helix protein Sin3a | Authors: | Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I. | Deposit date: | 2007-11-14 | Release date: | 2008-01-22 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor J.Mol.Biol., 375, 2007
|
|
3I7B
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1 | Descriptor: | 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2009-07-08 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors. Nat.Struct.Mol.Biol., 17, 2010
|
|