5WJO
 
 | | Crystal structure of the unliganded PG90 TCR | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ... | | Authors: | Shahine, A, Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-24 | | Release date: | 2017-10-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
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5DEV
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7UVG
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9MZT
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8FKJ
 | | Yeast ATP Synthase in conformation-3, at pH 6 | | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | | Authors: | Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M. | | Deposit date: | 2022-12-21 | | Release date: | 2024-01-24 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
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6UCX
 | | S2 symmetric peptide design number 1, Wednesday | | Descriptor: | S2-1, Wednesday, trifluoroacetic acid | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UDZ
 | | S2 symmetric peptide design number 4 crystal form 1, Pugsley | | Descriptor: | S2-4, Pusgley crystal form 1, trifluoroacetic acid | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-20 | | Release date: | 2020-09-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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7UG8
 | | Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium | | Descriptor: | 1,2-ETHANEDIOL, 2-oxopentanoic acid, CALCIUM ION, ... | | Authors: | Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. | | Deposit date: | 2022-03-24 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium
To Be Published
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6P1B
 | | Transcription antitermination factor Q21 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Q protein | | Authors: | Yin, Z, Ebright, R.H. | | Deposit date: | 2019-05-19 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7UGA
 | | Solution structure of NPSL2 | | Descriptor: | NPSL2 RNA (43-MER) | | Authors: | Liu, Y, Keane, S.C. | | Deposit date: | 2022-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Solution Structure of NPSL2, A Regulatory Element in the oncomiR-1 RNA.
J.Mol.Biol., 434, 2022
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6P88
 | | E.coli LpxD in complex with compound 6 | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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6X83
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8FPX
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6P7G
 | | The co-crystal structure of BRAF(V600E) with PHI1 | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Agianian, B, Gavathiotis, E. | | Deposit date: | 2019-06-05 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
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9CJM
 | | Red fluorescent protein mRuby3 | | Descriptor: | 1,2-ETHANEDIOL, Red fluorescent protein mRuby3 | | Authors: | Huang, M, Ng, H.L, Geisbrecht, B.V, Duan, H, Deng, M, Chu, J. | | Deposit date: | 2024-07-07 | | Release date: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal model of the red fluorescent protein mRuby3
To Be Published
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8G7B
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8GUZ
 | | Crystal structure of anti-FIXa IgG fab with FAST-Ig mutations | | Descriptor: | 1,2-ETHANEDIOL, Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain | | Authors: | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | | Deposit date: | 2022-09-14 | | Release date: | 2023-06-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
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9B1B
 | | EV-D68 in complex with inhibitor Jun11-78-7 | | Descriptor: | 4-[(propan-2-yl)oxy]-N-{(4M)-4-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]quinolin-8-yl}benzamide, Capsid protein VP1, Capsid protein VP4, ... | | Authors: | Klose, T, Kuhn, R.J, Jun, W, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-03-13 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Design of enterovirus D68 capsid inhibitors with in vivo antiviral efficacy
To Be Published
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6UWK
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9AZW
 | | Crystal structure of PDC-88 beta-lactamase in complex with taniborbactam | | Descriptor: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | | Authors: | Kumar, V, van den Akker, F. | | Deposit date: | 2024-03-11 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and mechanism of taniborbactam inhibition of the cefepime-hydrolyzing, partial R2-loop deletion Pseudomonas -derived cephalosporinase variant PDC-88.
Antimicrob.Agents Chemother., 69, 2025
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9B2Q
 | | Crystal Structure of Pantothenate Synthetase from Candida albicans. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Regan, J, Avad, K.A, Alaidi, O, Seetharaman, J, Palmer, G.E, Hevener, K.E. | | Deposit date: | 2024-03-15 | | Release date: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small molecule inhibitors of fungal pantothenate synthetase can provide a valid and potentially efficacious strategy for antifungal development.
To Be Published
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9B18
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8ZKO
 | | CryoEM structure of Thyroid Hormone Transporter MCT8 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3,5,3'TRIIODOTHYRONINE, Monocarboxylate transporter 8 | | Authors: | Tan, J, Xiao, Y, Kong, F, Zhu, A, Qian, J, Yan, C. | | Deposit date: | 2024-05-17 | | Release date: | 2025-04-02 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural insights into thyroid hormone transporter MCT8.
Nat Commun, 16, 2025
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8J1C
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8J1G
 | | Structure of amino acid dehydrogenase in complex with NADPH | | Descriptor: | 1,2-ETHANEDIOL, ARGININE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sakuraba, H, Ohshima, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | First crystal structure of an NADP + -dependent l-arginine dehydrogenase belonging to the mu-crystallin family.
Int.J.Biol.Macromol., 249, 2023
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