7MJN
| Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
|
|
6QLN
| Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLS
| Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.047 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6CA2
| |
2OIQ
| Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib. | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src | Authors: | Seeliger, M.A, Nagar, B, Frank, F, Cao, X, Henderson, M.N, Kuriyan, J. | Deposit date: | 2007-01-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | c-Src Binds to the Cancer Drug Imatinib with an Inactive Abl/c-Kit Conformation and a Distributed Thermodynamic Penalty. Structure, 15, 2007
|
|
6H64
| Crystal structure of the CRD-SAT | Descriptor: | Galectin-3, SULFATE ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Charron, C, Kriznik, A, Yelehe-Okouma, M, Jouzeau, J.-Y, Reboul, P. | Deposit date: | 2018-07-26 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CRD SAT Generated by pCARGHO: A New Efficient Lectin-Based Affinity Tag Method for Safe, Simple, and Low-Cost Protein Purification. Biotechnol J, 14, 2019
|
|
6QP6
| Cryo-EM structure of calcium-bound mTMEM16F lipid scramblase in digitonin | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6, CALCIUM ION | Authors: | Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C. | Deposit date: | 2019-02-13 | Release date: | 2019-03-06 | Last modified: | 2019-04-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F. Elife, 8, 2019
|
|
6GSW
| FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | Descriptor: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | Authors: | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1996-01-26 | Release date: | 1996-11-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase. Biochemistry, 35, 1996
|
|
7MJM
| Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
|
|
6H59
| |
7M4X
| A. baumannii Ribosome-Eravacycline complex: P-site tRNA 70S | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
|
|
2OJW
| Crystal structure of human glutamine synthetase in complex with ADP and phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-15 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design. J.Mol.Biol., 375, 2008
|
|
7M4Z
| A. baumannii Ribosome-Eravacycline complex: hpf-bound 70S | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
|
|
6GSU
| FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | Descriptor: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | Authors: | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1996-01-26 | Release date: | 1996-11-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase. Biochemistry, 35, 1996
|
|
7M4Y
| A. baumannii Ribosome-Eravacycline complex: E-site tRNA 70S | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
|
|
6CP3
| Monomer yeast ATP synthase (F1Fo) reconstituted in nanodisc with inhibitor of oligomycin bound. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase protein 8, ... | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | Deposit date: | 2018-03-13 | Release date: | 2018-04-11 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane. Science, 360, 2018
|
|
2NSI
| HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-FREE, SEITU COMPLEX | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, PROTEIN (NITRIC OXIDE SYNTHASE), ... | Authors: | Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L. | Deposit date: | 1999-01-11 | Release date: | 2000-01-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase. J.Biol.Chem., 274, 1999
|
|
6GSX
| FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | Descriptor: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | Authors: | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1996-01-26 | Release date: | 1996-11-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase. Biochemistry, 35, 1996
|
|
6D3M
| FT_T dioxygenase with bound quizalofop | Descriptor: | (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | Authors: | Rydel, T.J, Halls, C.E. | Deposit date: | 2018-04-16 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
|
|
7M4V
| A. baumannii Ribosome-Eravacycline complex: 50S | Descriptor: | 23s ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
|
|
2O1Y
| Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-29 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
|
|
6QVU
| |
5UUT
| N-myristoyltransferase 1 (NMT) bound to myristoyl-CoA | Descriptor: | CITRIC ACID, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Goodwin, O, Pegan, S. | Deposit date: | 2017-02-17 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Blocking Myristoylation of Src Inhibits Its Kinase Activity and Suppresses Prostate Cancer Progression. Cancer Res., 77, 2017
|
|
6CQR
| Crystal structure of F24 TCR -DR1-RQ13 peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, F24 beta chain, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-16 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
|
|
6QXA
| Structure of membrane bound pyrophosphatase from Thermotoga maritima in complex with imidodiphosphate and N-[(2-amino-6-benzothiazolyl)methyl]-1H-indole-2-carboxamide (ATC) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, IMIDODIPHOSPHORIC ACID, K(+)-stimulated pyrophosphate-energized sodium pump, ... | Authors: | Vidilaseris, K, Goldman, A. | Deposit date: | 2019-03-07 | Release date: | 2019-04-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Asymmetry in catalysis byThermotoga maritimamembrane-bound pyrophosphatase demonstrated by a nonphosphorus allosteric inhibitor. Sci Adv, 5, 2019
|
|