4XJX
| STRUCTURE OF MUTANT (E165H) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HsdR, MAGNESIUM ION | Authors: | Baikova, T, Stsiapanava, A, Moche, M, Degtjarik, O, Kuta-Smatanova, I, Ettrich, R. | Deposit date: | 2015-01-09 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | STRUCTURE OF MUTANT (E165H) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP To Be Published
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4FAD
| Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR | Descriptor: | 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M. | Deposit date: | 2012-05-22 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR Bioorg.Med.Chem.Lett., 22, 2012
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2PCF
| THE COMPLEX OF CYTOCHROME F AND PLASTOCYANIN DETERMINED WITH PARAMAGNETIC NMR. BASED ON THE STRUCTURES OF CYTOCHROME F AND PLASTOCYANIN, 10 STRUCTURES | Descriptor: | COPPER (II) ION, CYTOCHROME F, HEME C, ... | Authors: | Ubbink, M, Ejdeback, M, Karlsson, B.G, Bendall, D.S. | Deposit date: | 1997-12-22 | Release date: | 1998-04-08 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | The structure of the complex of plastocyanin and cytochrome f, determined by paramagnetic NMR and restrained rigid-body molecular dynamics. Structure, 6, 1998
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7TMA
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7TME
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2LOT
| AR55 solubilised in SDS micelles | Descriptor: | Apelin receptor | Authors: | Langelaan, D.N, Rainey, J.K. | Deposit date: | 2012-01-27 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments. J Phys Chem Lett, 8, 2017
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2LOW
| Solution structure of AR55 in 50% HFIP | Descriptor: | Apelin receptor | Authors: | Langelaan, D.N, Rainey, J.K. | Deposit date: | 2012-01-27 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments. J Phys Chem Lett, 8, 2017
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7TLT
| SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | Authors: | Murdolo, L.D, Szeto, C, Gras, S. | Deposit date: | 2022-01-18 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3. Nat Commun, 13, 2022
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4QIF
| Crystal Structure of PduA with edge mutation K26A and pore mutation S40H | Descriptor: | D(-)-TARTARIC ACID, GLYCEROL, POTASSIUM ION, ... | Authors: | Pang, A.H, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2014-05-30 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9951 Å) | Cite: | Selective molecular transport through the protein shell of a bacterial microcompartment organelle. Proc.Natl.Acad.Sci.USA, 112, 2015
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2LOV
| AR55 solubilised in LPPG micelles | Descriptor: | Apelin receptor | Authors: | Langelaan, D.N, Rainey, J.K. | Deposit date: | 2012-01-27 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments. J Phys Chem Lett, 8, 2017
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4QIG
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2AAZ
| Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | Deposit date: | 2005-07-14 | Release date: | 2005-12-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
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5SVX
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5SVY
| MORC3 CW in complex with histone H3K4me1 | Descriptor: | ACETATE ION, H3K4me1, MORC family CW-type zinc finger protein 3, ... | Authors: | Tong, Q, Andrews, F.H, Kutateladze, T.G. | Deposit date: | 2016-08-08 | Release date: | 2016-10-05 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase. Cell Rep, 16, 2016
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5SVI
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4BAE
| Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | Descriptor: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | Authors: | Read, J.A, Gingell, H.G, Madhavapeddi, P. | Deposit date: | 2012-09-13 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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2LOU
| AR55 solubilised in DPC micelles | Descriptor: | Apelin receptor | Authors: | Langelaan, D.N, Rainey, J.K. | Deposit date: | 2012-01-27 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural features of the apelin receptor N-terminal tail and first transmembrane segment implicated in ligand binding and receptor trafficking. Biochim.Biophys.Acta, 1828, 2013
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7CJF
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | Deposit date: | 2020-07-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
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4C4K
| Crystal structure of the titin M10-Obscurin Ig domain 1 complex | Descriptor: | 1,2-ETHANEDIOL, OBSCURIN, TITIN | Authors: | Pernigo, S, Fukuzawa, A, Gautel, M, Steiner, R.A. | Deposit date: | 2013-09-05 | Release date: | 2014-09-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of the Human Titin:Obscurin Complex Reveals a Conserved Yet Specific Muscle M-Band Zipper Module. J.Mol.Biol., 427, 2015
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4AQH
| Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976 | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR 1, TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE | Authors: | Fjellstrom, O, Deinum, J, Sjogren, T, Johansson, C, Geschwindner, S, Nerme, V, Legnehed, A, McPheat, J, Olsson, K, Bodin, C, Gustafsson, D. | Deposit date: | 2012-04-17 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Characterization of a Small Molecule Inhibitor of Plasminogen Activator Inhibitor Type 1 that Accelerates the Transition Into the Latent Conformation J.Biol.Chem., 288, 2013
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7K7Q
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7K7O
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3ZVV
| Fragment Bound to PI3Kinase gamma | Descriptor: | 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Hughes, S.J, Milan, D.S, Kilty, I.C, Lewthwaite, R.A, Mathias, J.P, O'Reilly, M.A, Phelan, A, Baldock, D.A, Brown, D.G. | Deposit date: | 2011-07-27 | Release date: | 2011-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment based discovery of a novel and selective PI3 kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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7LGD
| HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113 | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | Deposit date: | 2021-01-20 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses. Immunity, 54, 2021
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7LGT
| HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83 | Descriptor: | BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | Deposit date: | 2021-01-21 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses. Immunity, 54, 2021
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