5G4X
 
 | | The crystal structure of the SHANK3 N-terminus | | Descriptor: | 1,2-ETHANEDIOL, SH3 AND MULTIPLE ANKYRIN REPEAT DOMAINS PROTEIN 3 | | Authors: | Zacharchenko, T, Barsukov, I. | | Deposit date: | 2016-05-17 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.166 Å) | | Cite: | SHANK proteins limit integrin activation by directly interacting with Rap1 and R-Ras.
Nat. Cell Biol., 19, 2017
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8BPJ
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 1) | | Descriptor: | 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, Lysozyme, NITRATE ION, ... | | Authors: | Teran, A, Merlino, A, Ferraro, G. | | Deposit date: | 2023-01-17 | | Release date: | 2023-06-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
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7Q1K
 | | Crystal structure of the native AA9A LPMO from Thermoascus aurantiacus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | | Authors: | Yu, W, Mohsin, I, Li, D.C, Papageorgiou, A.C. | | Deposit date: | 2021-10-20 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Purification and Structural Characterization of the Auxiliary Activity 9 Native Lytic Polysaccharide Monooxygenase from Thermoascus aurantiacus and Identification of Its C1- and C4-Oxidized Reaction Products
Catalysts, 12, 2022
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8X2J
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8RVW
 | | Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch "StilSwitch3" determined by serial synchrotron crystallography | | Descriptor: | 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H, Bertrand, Q. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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6QF3
 | | X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | | Deposit date: | 2019-01-09 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
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4FXT
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6SIW
 | | PaaK family AMP-ligase with AMP | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6YKG
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8J8J
 | | Membrane bound PRTase, C3 symmetry, donor bound | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Decaprenyl-phosphate phosphoribosyltransferase, ... | | Authors: | Wu, F.Y, Gao, S, Zhang, L, Rao, Z.H. | | Deposit date: | 2023-05-01 | | Release date: | 2024-02-07 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural analysis of phosphoribosyltransferase-mediated cell wall precursor synthesis in Mycobacterium tuberculosis.
Nat Microbiol, 9, 2024
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6HT1
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92) | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-10-02 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5JA9
 | | Crystal structure of the HigB2 toxin in complex with Nb6 | | Descriptor: | 1,2-ETHANEDIOL, Nanobody 6, SULFATE ION, ... | | Authors: | Hadzi, S, Loris, R. | | Deposit date: | 2016-04-12 | | Release date: | 2017-04-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Ribosome-dependent Vibrio cholerae mRNAse HigB2 is regulated by a beta-strand sliding mechanism.
Nucleic Acids Res., 45, 2017
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6NJZ
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8P96
 | | TARGET COMPLEX 3 | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ... | | Authors: | Garau, G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | NAPE-PLD is target of thiazide diuretics.
Cell Chem Biol, 32, 2025
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8RQK
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8PJE
 | | Human Leukocyte Antigen class II allotype DR1 presenting influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAT | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Hesketh, S.J, Cole, D.K, Rizkallah, P.J, Godkin, A.J. | | Deposit date: | 2023-06-23 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation.
Cell Rep, 43, 2024
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5N9S
 | | TTK kinase domain in complex with BAY 1161909 | | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK | | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | | Deposit date: | 2017-02-27 | | Release date: | 2017-05-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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8XLO
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5CX2
 | | Structure of coiled coil domain of Leishmania donovani coronin | | Descriptor: | 1,2-ETHANEDIOL, Coronin, SULFATE ION | | Authors: | Nayak, A.R, Karade, S.S, Srivastava, V.K, Pratap, J.V. | | Deposit date: | 2015-07-28 | | Release date: | 2016-07-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of Leishmania donovani coronin coiled coil domain reveals an antiparallel 4 helix bundle with inherent asymmetry
J.Struct.Biol., 195, 2016
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8B7R
 | | Bacterial chalcone isomerase with taxifolin chalcone | | Descriptor: | (Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one, CHLORIDE ION, Chalcone isomerase, ... | | Authors: | Hinrichs, W, Palm, G.J. | | Deposit date: | 2022-10-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus .
Molecules, 27, 2022
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8P90
 | | TARGET COMPLEX 2 | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ... | | Authors: | Garau, G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | NAPE-PLD is target of thiazide diuretics.
Cell Chem Biol, 32, 2025
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8J9H
 | | Cryo-EM structure of Euglena gracilis respiratory complex I, deactive state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | | Authors: | Wu, M.C, He, Z.X, Tian, H.T, Hu, Y.Q, Han, F.Z, Zhou, L. | | Deposit date: | 2023-05-03 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
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9LKS
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7UV5
 | | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S/D286N mutant, in complex with a Lys48-linked di-ubiquitin | | Descriptor: | 1,2-ETHANEDIOL, Papain-like protease nsp3, Ubiquitin, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-04-29 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
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7ZC0
 | | 4,6-alpha-glucanotransferase GtfC from Geobacillus 12AMOR1 | | Descriptor: | 4,6-alpha-Glucanotransferase, CALCIUM ION, GLYCEROL | | Authors: | Pijning, T, Dijkhuizen, L, Guskov, A, te Poele, E.M. | | Deposit date: | 2022-03-25 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of 4,6-alpha-Glucanotransferase GtfC-Delta C from Thermophilic Geobacillus 12AMOR1: Starch Transglycosylation in Non-Permuted GH70 Enzymes.
J.Agric.Food Chem., 70, 2022
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