6I97
| |
8F92
| HIV Env BG505_MD39_B11 SOSIP boosting trimer in complex with B11_d77.7 mouse Fab and RM20A3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B11_d77.7 Fab heavy chain, ... | Authors: | Torres, J.L, Ozorowski, G, Ward, A.B. | Deposit date: | 2022-11-23 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies. Science, 384, 2024
|
|
5U0I
| C-terminal ankyrin repeats from human kidney-type glutaminase (KGA) - tetragonal crystal form | Descriptor: | CHLORIDE ION, Glutaminase kidney isoform, mitochondrial, ... | Authors: | Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B. | Deposit date: | 2016-11-24 | Release date: | 2017-05-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.423 Å) | Cite: | The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats. J. Biol. Chem., 292, 2017
|
|
7LCH
| The mature Usutu SAAR-1776, Model B | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | Authors: | Khare, B, Klose, T, Fang, Q, Kuhn, R. | Deposit date: | 2021-01-11 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7X1B
| |
7X1C
| |
5TR6
| Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | Descriptor: | 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | Deposit date: | 2016-10-25 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg. Med. Chem. Lett., 26, 2016
|
|
4GF4
| Low pH structure of Pseudomonas putida OprB | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Porin B | Authors: | van den Berg, B. | Deposit date: | 2012-08-02 | Release date: | 2012-10-24 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for outer membrane sugar uptake in pseudomonads. J.Biol.Chem., 287, 2012
|
|
7LOU
| Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glucosyltransferase TcdB, ... | Authors: | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2021-02-10 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues. Nat Commun, 12, 2021
|
|
6BL8
| |
8GJM
| 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
|
|
4QTI
| Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12 | Descriptor: | Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ... | Authors: | Zhao, B, Yuan, C, Luo, Z, Huang, M. | Deposit date: | 2014-07-08 | Release date: | 2015-02-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation. J.Mol.Biol., 427, 2015
|
|
7ML4
| RNA polymerase II initially transcribing complex (ITC) | Descriptor: | BJ4_G0050160.mRNA.1.CDS.1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Yang, C, Fujiwara, R, Kim, H.J, Gorbea Colon, J.J, Steimle, S, Garcia, B.A, Murakami, K. | Deposit date: | 2021-04-27 | Release date: | 2022-02-02 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural visualization of de novo transcription initiation by Saccharomyces cerevisiae RNA polymerase II. Mol.Cell, 82, 2022
|
|
7R9P
| Crystal structure of HPK1 in complex with compound 14 | Descriptor: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
|
|
7R9T
| Crystal structure of HPK1 in complex with compound 17 | Descriptor: | 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
|
|
7M0V
| Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | Deposit date: | 2021-03-11 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
4OV8
| Crystal Structure of the TMH1-lock mutant of the mature form of pleurotolysin B | Descriptor: | CHLORIDE ION, GLYCEROL, Pleurotolysin B, ... | Authors: | Kondos, S.C, Law, R.H.P, Whisstock, J.C, Dunstone, M.A. | Deposit date: | 2014-02-20 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin Plos Biol., 13, 2015
|
|
6XQ7
| Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 5 | Descriptor: | 5-bromo-3-methyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
|
|
4R7A
| Crystal Structure of RBBP4 bound to PHF6 peptide | Descriptor: | GLYCEROL, Histone-binding protein RBBP4, PHD finger protein 6 | Authors: | Liu, Z, Li, F, Zhang, B, Li, S, Wu, J, Shi, Y. | Deposit date: | 2014-08-27 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of Plant Homeodomain Finger 6 (PHF6) Recognition by the Retinoblastoma Binding Protein 4 (RBBP4) Component of the Nucleosome Remodeling and Deacetylase (NuRD) Complex J.Biol.Chem., 290, 2015
|
|
6FNL
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase | Descriptor: | Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.269 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
3TEA
| Crystal structure of Arthrobacter sp. strain su 4-hydroxybenzoyl CoA thioesterase double mutant Q58E/E73A complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-08-12 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
|
|
6FNI
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with NVP-BHG712 | Descriptor: | 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.468 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
6FNM
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib | Descriptor: | Ephrin type-B receptor 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.157 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
5SZQ
| Protocadherin Gamma A4 extracellular cadherin domains 3-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | Deposit date: | 2016-08-14 | Release date: | 2016-11-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
|
|
3SMN
| Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Anders, C, Schumacher, B, Ottmann, C. | Deposit date: | 2011-06-28 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
|
|