2A36
| Solution structure of the N-terminal SH3 domain of DRK | Descriptor: | Protein E(sev)2B | Authors: | Forman-Kay, J.D, Bezsonova, I, Singer, A, Choy, W.-Y, Tollinger, M. | Deposit date: | 2005-06-23 | Release date: | 2005-12-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant Biochemistry, 44, 2005
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8AV2
| Crystal structure for the FnIII module of mouse LEP-R in complex with the anti-LEP-R nanobody VHH-4.80 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin receptor, SULFATE ION, ... | Authors: | Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A. | Deposit date: | 2022-08-26 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin. Nat.Struct.Mol.Biol., 30, 2023
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1UGJ
| Solution structure of a murine hypothetical protein from RIKEN cDNA 2310057J16 | Descriptor: | RIKEN cDNA 2310057J16 protein | Authors: | Nagashima, T, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-16 | Release date: | 2004-08-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a murine hypothetical protein from RIKEN cDNA 2310057J16 To be Published
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5J25
| Endothiapepsin in complex with fragment 158 | Descriptor: | 2-(4-methylpiperidin-1-yl)-N-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide, ACETATE ION, Endothiapepsin, ... | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2016-03-29 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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7M06
| Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with R,R-bislysine bound at the allosteric site at 2.7 Angstrom | Descriptor: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ... | Authors: | Saran, S, Sanders, D.A.R. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS To Be Published
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5J2M
| HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor | Descriptor: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | Authors: | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.432 Å) | Cite: | Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA). Proc.Natl.Acad.Sci.USA, 113, 2016
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5MBW
| CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3 | Descriptor: | BACE1 INHIBITOR PEPTIDE Pep#3, Beta-secretase 1, CHLORIDE ION | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-11-09 | Release date: | 2017-09-27 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport. EBioMedicine, 24, 2017
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7M0C
| Post-catalytic nicked complex of DNA Polymerase Lambda with bound mismatched DSB substrate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*GP*CP*T)-3'), ... | Authors: | Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive structural survey of DNA double-strand break synapsis by DNA Polymerase Lambda Not Published
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7M08
| Post-catalytic nicked complex of DNA Polymerase Lambda with bound 1-nt gapped SSB substrate and incoming dUMPNPP | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Comprehensive structural survey of DNA double-strand break synapsis by DNA Polymerase Lambda Not Published
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6ELF
| Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetic acid as ligand | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-09-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.832 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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6ROL
| Structure of IMP2 KH34 domains | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Insulin-like growth factor 2 mRNA-binding protein 2, ... | Authors: | Bhaskar, V, Biswas, J, Singer, R.H, Chao, J.A. | Deposit date: | 2019-05-13 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structural basis for RNA selectivity by the IMP family of RNA-binding proteins. Nat Commun, 10, 2019
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5MCO
| CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE | Descriptor: | BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-11-10 | Release date: | 2017-09-27 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport. EBioMedicine, 24, 2017
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5TLQ
| Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | Deposit date: | 2016-10-11 | Release date: | 2017-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
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5ME4
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2AC7
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8AUP
| Structure of hARG1 with a novel inhibitor. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, ... | Authors: | Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M. | Deposit date: | 2022-08-25 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy. Mol.Cancer Ther., 22, 2023
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6I3B
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8Q1E
| D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with fructose 1,6-bisphosphate | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, Beta-phosphoglucomutase, ... | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | Deposit date: | 2023-07-31 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase. Commun Biol, 7, 2024
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5MMP
| E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | Descriptor: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | Deposit date: | 2016-12-12 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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5IUS
| Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant | Descriptor: | CHLORIDE ION, Programmed cell death 1 ligand 1, Programmed cell death protein 1 | Authors: | Pascolutti, R, Sun, X, Kao, J, Maute, R, Ring, A.M, Bowman, G.R, Kruse, A.C. | Deposit date: | 2016-03-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Structure and Dynamics of PD-L1 and an Ultra-High-Affinity PD-1 Receptor Mutant. Structure, 24, 2016
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5MEE
| Cyanothece lipoxygenase 2 (CspLOX2) variant - L304V | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arachidonate 15-lipoxygenase, FE (III) ION, ... | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | Deposit date: | 2016-11-14 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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5J8H
| Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase | Descriptor: | CALCIUM ION, Calmodulin, Eukaryotic elongation factor 2 kinase | Authors: | Alphonse, S, Lee, K, Piserchio, A, Tavares, C.D.J, Giles, D.H, Wellmann, R.M, Dalby, K.N, Ghose, R. | Deposit date: | 2016-04-07 | Release date: | 2016-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin. Structure, 24, 2016
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6RH1
| Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 7 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ... | Authors: | Mideros-Mora, C, Casino, P, Marina, A. | Deposit date: | 2019-04-18 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
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6ZH8
| Cryo-EM structure of DNA-PKcs:DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*T)-3'), DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6EQI
| Structure of PINK1 bound to ubiquitin | Descriptor: | GLYCEROL, Nb696, Serine/threonine-protein kinase PINK1, ... | Authors: | Schubert, A.F, Gladkova, C, Pardon, E, Wagstaff, J.L, Freund, S.M.V, Steyaert, J, Maslen, S, Komander, D. | Deposit date: | 2017-10-13 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of PINK1 in complex with its substrate ubiquitin. Nature, 552, 2017
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