7RY5
 
 | | Cellular Retinoic Acid Binding Protein II with Bound Inhibitor 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid | | Descriptor: | 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid, Cellular retinoic acid-binding protein 2 | | Authors: | Kimmel, B.R, Mrksich, M. | | Deposit date: | 2021-08-24 | | Release date: | 2021-12-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of an Enzyme-Inhibitor Reaction Using Cellular Retinoic Acid Binding Protein II for One-Pot Megamolecule Assembly.
Chemistry, 27, 2021
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9DME
 | | Type 3 KD-mxyl filament of miniature tau macrocycle derived from 4R tauopathic fold | | Descriptor: | 1,3-dimethylbenzene, Microtubule-associated protein tau | | Authors: | Xu, X, Angera, J.I, Rajewski, H.B, Jiang, W, Del Valle, R.J. | | Deposit date: | 2024-09-13 | | Release date: | 2025-04-23 | | Last modified: | 2025-11-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Macrocyclic beta-arch peptides that mimic the structure and function of disease-associated tau folds.
Nat.Chem., 17, 2025
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6MN1
 | | Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-CoA | | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Aminoglycoside N(3)-acetyltransferase, ... | | Authors: | Stogios, P.J, Skarina, T, Michalska, K, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-CoA
To Be Published
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6ZHG
 | | Ca2+-ATPase from Listeria Monocytogenes in complex with AlF | | Descriptor: | Calcium-transporting ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION | | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | | Deposit date: | 2020-06-23 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
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8H0M
 | | Crystal structure of VioD | | Descriptor: | (2S)-2-ethylhexan-1-ol, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | | Authors: | Xu, M, Ran, T, Wang, W. | | Deposit date: | 2022-09-29 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
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5MIY
 | | Crystal structure of the E3 ubiquitin ligase RavN from Legionella pneumophila | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin ligase RavN, SODIUM ION, ... | | Authors: | Lucas, M, Abascal-Palacios, G, Rojas, A.L, Hierro, A. | | Deposit date: | 2016-11-29 | | Release date: | 2018-05-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.717 Å) | | Cite: | RavN is a member of a previously unrecognized group of Legionella pneumophila E3 ubiquitin ligases.
PLoS Pathog., 14, 2018
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8W9H
 | | Crystal structure of anti-human CLEC12A antibody 50C1 | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, anti-human CLEC12A antibody 50C1 Fab Heavy chain, ... | | Authors: | Mori, S, Nagae, M, Yamasaki, S. | | Deposit date: | 2023-09-05 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
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9HY5
 | | sc-4E (scFv derived from the mAb 4E1 against CD93) crystallized at pH 9.0 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ... | | Authors: | Raucci, L, Orlandini, M, Pozzi, C. | | Deposit date: | 2025-01-09 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and antigen-binding surface definition of an anti-CD93 monoclonal antibody for the treatment of degenerative vascular eye diseases.
Int.J.Biol.Macromol., 309, 2025
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6ZBZ
 | | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling | | Descriptor: | 1,2-ETHANEDIOL, 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid, Dishevelled, ... | | Authors: | Roske, Y, Heinemann, U, Oschkinat, H. | | Deposit date: | 2020-06-09 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
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9HY2
 | | sc-4E (scFv derived from the mAb 4E1 against CD93) crystallized at pH 7.5 (monomeric state from gel filtration) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ... | | Authors: | Raucci, L, Orlandini, M, Pozzi, C. | | Deposit date: | 2025-01-09 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and antigen-binding surface definition of an anti-CD93 monoclonal antibody for the treatment of degenerative vascular eye diseases.
Int.J.Biol.Macromol., 309, 2025
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6FUN
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6FR9
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8S6V
 | | Crystal structure of Fab-2D9 chimera complexed to a bis-Tn glycopeptide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2D9 (VL-CL), ... | | Authors: | Hurtado-Guerrero, R, Macias-Leon, J, Gonzalez-Ramirez, A. | | Deposit date: | 2024-02-28 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Recognizing Tn and STn Epitopes in Protein Context: Structural Advances in Phage Display Libraries for Tumor-Specific Antibody Discovery
Nat.Chem.Biol., 2025
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6Z1K
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6Z1L
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5YH4
 | | Miraculin-like protein from Vitis vinifera | | Descriptor: | 1,2-ETHANEDIOL, mirauclin-like protein | | Authors: | Shimizu-Ibuka, A, Furukawa, N. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural and functional analysis of miraculin-like protein from Vitis vinifera.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6I21
 | | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | | Descriptor: | 1,2-ETHANEDIOL, Aureochrome1-like protein, CHLORIDE ION, ... | | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | | Deposit date: | 2018-10-31 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
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8YK7
 | | Structure of Rib domain from surface adhesin of Limosilactobacillus reuteri | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, SODIUM ION, ... | | Authors: | Xue, Y, Kang, X. | | Deposit date: | 2024-03-04 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of the Rib domain of the cell-wall-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
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8SZP
 | | Human DHX9 bound to ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ... | | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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8J43
 | | Reductive aminase RA29-WT | | Descriptor: | 1,2-ETHANEDIOL, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ... | | Authors: | Zheng, X.Y, Xu, G.C, Ni, Y. | | Deposit date: | 2023-04-19 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Dynamic kinetic reductive resolution of cyclic keto esters by newly identified stereo complementary reductive aminases.
To Be Published
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8Y2R
 | | NMR Solution Structure of the 2:1 Coptisine-ATF4-G4 Complex | | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (5'-D(*TP*AP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*GP*C*(LIG)*(LIG))-3') | | Authors: | Xiao, C.M, Li, Y.P, Liu, Y.S, Dong, R.F, He, X.Y, Lin, Q, Zang, X, Wang, K.B, Xia, Y.Z, Kong, L.Y. | | Deposit date: | 2024-01-27 | | Release date: | 2024-12-04 | | Last modified: | 2025-06-18 | | Method: | SOLUTION NMR | | Cite: | Overcoming Cancer Persister Cells by Stabilizing the ATF4 Promoter G-quadruplex.
Adv Sci, 11, 2024
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5NML
 | | Nb36 Ser85Cys with Hg bound | | Descriptor: | 1,2-ETHANEDIOL, MERCURY (II) ION, Nanobody Nb36 Ser85Cys | | Authors: | Hansen, S.B, Andersen, K.R, Laursen, N.S, Andersen, G.R. | | Deposit date: | 2017-04-06 | | Release date: | 2017-06-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Introducing site-specific cysteines into nanobodies for mercury labelling allows de novo phasing of their crystal structures.
Acta Crystallogr D Struct Biol, 73, 2017
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3EHM
 | | Structure of BT1043 | | Descriptor: | 1,2-ETHANEDIOL, SusD homolog | | Authors: | Koropatkin, N.M, Smith, T.J. | | Deposit date: | 2008-09-13 | | Release date: | 2009-05-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a SusD homologue, BT1043, involved in mucin O-glycan utilization in a prominent human gut symbiont.
Biochemistry, 48, 2009
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5FQI
 | | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-12-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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7FJ0
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