5HKM
 
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-14 | | Release date: | 2016-06-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5HKY
 | | Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ... | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
To be published
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7BTH
 | | Mevo lectin- Native form-1 | | Descriptor: | GLYCEROL, lectin | | Authors: | Sivaji, N, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2020-04-01 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and related studies on Mevo lectin from Methanococcus voltae A3: the first thorough characterization of an archeal lectin and its interactions.
Glycobiology, 31, 2021
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7MXF
 | | CD1c with antigen analogue 2 | | Descriptor: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cao, T.P, Shahine, A, Rossjohn, J. | | Deposit date: | 2021-05-19 | | Release date: | 2021-11-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
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9CK5
 | | Anthoceros agrestis Rubisco assembled with RbcX1, RbcX2, Raf1, Raf2 and BSD2 | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RuBisCO large subunit, ... | | Authors: | Ang, W.S.L, Oh, Z.G, Li, F.W, Gunn, L.H. | | Deposit date: | 2024-07-08 | | Release date: | 2024-11-13 | | Last modified: | 2024-12-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Unique biogenesis and kinetics of hornwort Rubiscos revealed by synthetic biology systems.
Mol Plant, 17, 2024
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6TMG
 | | Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, membrane region model | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ATPTG1, ... | | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | | Deposit date: | 2019-12-04 | | Release date: | 2020-12-16 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
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6KSN
 | | Structure of a Zn-bound camelid single domain antibody | | Descriptor: | 1,2-ETHANEDIOL, ICab3, SODIUM ION, ... | | Authors: | Kumar, S, Athreya, A, Penmatsa, A. | | Deposit date: | 2019-08-24 | | Release date: | 2019-11-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Isolation and structural characterization of a Zn2+-bound single-domain antibody against NorC, a putative multidrug efflux transporter in bacteria.
J.Biol.Chem., 295, 2020
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7U01
 | | Structure of CD148 fibronectin type III domain 2 | | Descriptor: | Receptor-type tyrosine-protein phosphatase eta | | Authors: | Zhou, D, Zhu, J. | | Deposit date: | 2022-02-17 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.297079 Å) | | Cite: | Structure of CD148 fibronectin type III domain 1 and 2
To Be Published
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7X1W
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9OPB
 | | Herpes simplex virus type 1 (HSV-1) D-capsid pUL6 portal protein turrets, decamer | | Descriptor: | Capsid portal protein | | Authors: | Crofut, E.H, Kashyap, S, Stevens, A, Jih, J, Liu, Y.-T, Zhou, Z.H. | | Deposit date: | 2025-05-17 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of a new capsid form and comparison with A-, B-, and C-capsids clarify herpesvirus assembly.
J.Virol., 99, 2025
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9FD7
 | | Re-engineered peroxygenase variant of 2-deoxy-D-ribose-5-phosphate aldolase in substrate-free state | | Descriptor: | Deoxyribose-phosphate aldolase, GLYCEROL | | Authors: | Thunnissen, A.M.W.H, Zhou, H, Frietema, H.O.T, Poelarends, G.J. | | Deposit date: | 2024-05-16 | | Release date: | 2025-03-12 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering 2-Deoxy-D-ribose-5-phosphate Aldolase for anti- and syn-Selective Epoxidations of alpha , beta-Unsaturated Aldehydes.
Angew.Chem.Int.Ed.Engl., 64, 2025
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5X56
 | | Crystal structure of PSB27 from Arabidopsis thaliana | | Descriptor: | Photosystem II repair protein PSB27-H1, chloroplastic | | Authors: | Liu, J, Cheng, X. | | Deposit date: | 2017-02-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of Psb27 from Arabidopsis thaliana determined at a resolution of 1.85 angstrom.
Photosyn. Res., 136, 2018
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4RDU
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6EWA
 | | Crystal structure of HLA-A2 in complex with LILRB1 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Stones, D.H, Willcox, B.E, Mohammed, F. | | Deposit date: | 2017-11-03 | | Release date: | 2018-11-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Application of the immunoregulatory receptor LILRB1 as a crystallisation chaperone for human class I MHC complexes.
J. Immunol. Methods, 464, 2019
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9OP5
 | | Herpes simplex virus type 1 (HSV-1) B-capsid pUL6 portal protein, dodecameric complex | | Descriptor: | Capsid portal protein, Capsid scaffolding protein | | Authors: | Crofut, E.H, Kashyap, S, Stevens, A, Jih, J, Liu, Y.-T, Zhou, Z.H. | | Deposit date: | 2025-05-16 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of a new capsid form and comparison with A-, B-, and C-capsids clarify herpesvirus assembly.
J.Virol., 99, 2025
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5DPG
 | | sfGFP mutant - 133 p-cyano-L-phenylalanine | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, SODIUM ION | | Authors: | Dippel, A.B, Olenginski, G.M, Maurici, N, Liskov, M.T, Brewer, S.H, Phillips-Piro, C.M. | | Deposit date: | 2015-09-12 | | Release date: | 2016-01-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Probing the effectiveness of spectroscopic reporter unnatural amino acids: a structural study.
Acta Crystallogr D Struct Biol, 72, 2016
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6AIG
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9FF7
 | | Structure of the BMOE-crosslinked transcription termination factor Rho in the presence of ppGpp; S84C/M405C double mutant | | Descriptor: | 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), MAGNESIUM ION, Transcription termination factor Rho | | Authors: | Said, N, Hilal, T, Wahl, M.C. | | Deposit date: | 2024-05-22 | | Release date: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Nucleotide-induced hyper-oligomerization inactivates transcription termination factor rho.
Nat Commun, 16, 2025
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7ZL8
 | | NME1 in complex with succinyl-CoA | | Descriptor: | Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A | | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | Deposit date: | 2022-04-14 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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5KGA
 | | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, mutant D287N, in complex with N-acetylglucosamine | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M. | | Deposit date: | 2016-06-13 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
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9F8H
 | | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with Raloxifene | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Phenazine biosynthesis protein A/B, ... | | Authors: | Diederich, C, Zimmermann, M, Thiemann, M, Kunick, C, Blankenfeldt, W. | | Deposit date: | 2024-05-06 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | From Bones to Bugs: Structure-Based Development of Raloxifene-Derived Pathoblockers That Inhibit Pyocyanin Production in Pseudomonas aeruginosa.
J.Med.Chem., 68, 2025
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7ZTK
 | | NME1 in complex with CoA | | Descriptor: | COENZYME A, Nucleoside diphosphate kinase A | | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | Deposit date: | 2022-05-10 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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8A2P
 | | Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography | | Descriptor: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | | Deposit date: | 2022-06-06 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
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7WLI
 | | CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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9EW1
 | | Ternary structure of 14-3-3s, CRAF phosphopeptide (pS259) and compound 79 (1124379). | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone, CHLORIDE ION, ... | | Authors: | Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R. | | Deposit date: | 2024-04-03 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
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