8JK1
 
 | | Crystal structure of QA-hNTAQ1 C28S | | Descriptor: | Protein N-terminal glutamine amidohydrolase | | Authors: | Kang, J.M, Han, B.W. | | Deposit date: | 2023-05-31 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.067 Å) | | Cite: | Structural study for substrate recognition of human N-terminal glutamine amidohydrolase 1 in the arginine N-degron pathway.
Protein Sci., 33, 2024
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6O24
 | | Crystal structure of 4498 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain | | Descriptor: | 1,2-ETHANEDIOL, 4498 Fab heavy chain, 4498 Kappa light chain, ... | | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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9G0Y
 | | Human KRas4A (GDP) in complex with compound 11 | | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2024-07-09 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
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7Q9R
 | | Cocrystal structure of PDE6D bound to NRAS peptide | | Descriptor: | 1,2-ETHANEDIOL, FARNESYL, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ... | | Authors: | Yelland, T, Ismail, S. | | Deposit date: | 2021-11-14 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
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6WCV
 | | Tartryl-CoA bound to human GTP-specific succinyl-CoA synthetase | | Descriptor: | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name), Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, ... | | Authors: | Huang, J, Fraser, M.E. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Tartryl-CoA inhibits succinyl-CoA synthetase
Acta Crystallogr.,Sect.F, 76, 2020
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7QU3
 | | X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa | | Descriptor: | 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Stegmann, D, Steuber, J, Fritz, G. | | Deposit date: | 2022-01-17 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
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6NLX
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7THH
 | | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-11 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
to be published
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8OF7
 | | Cyc15 Diels Alderase | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases.
Chembiochem, 24, 2023
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7Q63
 | | The tandem SH2 domains of SYK | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-05 | | Release date: | 2021-11-24 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
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5HC3
 | | The structure of esterase Est22 | | Descriptor: | GLYCEROL, Lipolytic enzyme | | Authors: | Li, J, Huang, J. | | Deposit date: | 2016-01-04 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
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7Q5T
 | | The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
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9KNP
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7BQJ
 | | The structure of PdxI | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Methyltransf_2 domain-containing protein, ... | | Authors: | Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y. | | Deposit date: | 2020-03-24 | | Release date: | 2020-10-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | An enzymatic Alder-ene reaction.
Nature, 586, 2020
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7BGZ
 | | Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactoglobulin, DECANOIC ACID | | Authors: | Loch, J.I, Siuda, M.K, Lewinski, K. | | Deposit date: | 2021-01-09 | | Release date: | 2021-01-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
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9MZT
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8X92
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7Q7W
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6O34
 | | Crystal Structure Analysis of PIN1 | | Descriptor: | GLYCEROL, NONAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-02-25 | | Release date: | 2020-02-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal Structure Analysis of PIN1
To be Published
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8UIP
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9MFR
 | | Cat DHX9 in Complex with Compound 23 and ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Lockbaum, G.J, Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A, Grigoriu, S. | | Deposit date: | 2024-12-10 | | Release date: | 2025-05-07 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9.
J.Med.Chem., 68, 2025
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7QGO
 | | Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Strater, N. | | Deposit date: | 2021-12-09 | | Release date: | 2022-02-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
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6ZQ7
 | | Crystal structure of Chaetomium thermophilum Glycerol Kinase in I222 space group | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Glycerol kinase-like protein | | Authors: | Wilk, P, Wator, E, Grudnik, P. | | Deposit date: | 2020-07-09 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.421 Å) | | Cite: | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
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8EHB
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6WT2
 | | Crystal Structure of Putative NAD(P)H-Flavin Oxidoreductase from Neisseria meningitidis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-01 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
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