6Y85
 
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5FTJ
 | | Cryo-EM structure of human p97 bound to UPCDC30245 inhibitor | | Descriptor: | 1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE, ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
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8BZM
 | | FOXK1-ELF1-heterodimer bound to DNA | | Descriptor: | DNA, ETS-related transcription factor Elf-1, Forkhead box protein K1, ... | | Authors: | Morgunova, E, Popov, A, Yin, Y, Taipale, J. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-27 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | DNA-guided transcription factor interactions extend human gene regulatory code.
Nature, 2025
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6L0W
 | | Structure of RLD2 BRX domain bound to LZY3 CCL motif | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, NGR2, ... | | Authors: | Hirano, Y, Futrutani, M, Nishimura, T, Taniguchi, M, Morita, M.T, Hakoshima, T. | | Deposit date: | 2019-09-27 | | Release date: | 2020-02-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Polar recruitment of RLD by LAZY1-like protein during gravity signaling in root branch angle control.
Nat Commun, 11, 2020
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6ZA9
 | | Fo domain of Ovine ATP synthase | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit C1, mitochondrial, ... | | Authors: | Pinke, G, Zhou, L, Sazanov, L.A. | | Deposit date: | 2020-06-05 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Cryo-EM structure of the entire mammalian F-type ATP synthase.
Nat.Struct.Mol.Biol., 27, 2020
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5F82
 | | Apo GES-5 C69G mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2015-12-08 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
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6DVM
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122 | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
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8XAL
 | | Cryo-EM structure of SARS-CoV-2 S-BQ.1 in complex with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein (Fragment), ... | | Authors: | Hsu, H.F, Wu, M.H, Chang, Y.C, Hsu, S.T.D. | | Deposit date: | 2023-12-04 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Functional and structural investigation of a broadly neutralizing SARS-CoV-2 antibody.
JCI Insight, 9, 2024
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6Z02
 | | Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV in surfo crystallization | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G, Betzel, C. | | Deposit date: | 2020-05-07 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Iucrj, 7, 2020
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5KL2
 | | Wilms Tumor Protein (WT1) ZnF2-4 in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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7LMT
 | | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a | | Descriptor: | Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide | | Authors: | Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
To Be Published
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5KMC
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7V8Z
 | | Crystal structure of mouse CRY2 in complex with SHP656 compound | | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6RS4
 | | Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus | | Descriptor: | 1,2-ETHANEDIOL, Tabersonine synthase | | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2019-05-21 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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6P3H
 | | Crystal structure of LigU(K66M) bound to substrate | | Descriptor: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid, (4E)-oxalomesaconate Delta-isomerase, CHLORIDE ION | | Authors: | Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P. | | Deposit date: | 2019-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin.
Biochemistry, 58, 2019
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6DMS
 | | Endo-fucoidan hydrolase MfFcnA4_H294Q from glycoside hydrolase family 107 | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION | | Authors: | Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B. | | Deposit date: | 2018-06-05 | | Release date: | 2018-10-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
J. Biol. Chem., 293, 2018
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6QOX
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate) | | Descriptor: | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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5LWM
 | | Crystal structure of JAK3 in complex with Compound 4 (FM381) | | Descriptor: | 1,2-ETHANEDIOL, 1-phenylurea, 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide, ... | | Authors: | Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-18 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
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5D5Y
 | | Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form I | | Descriptor: | Putative transcription factor | | Authors: | Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-12-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
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8ET7
 | | Cryo-EM structure of the organic cation transporter 1 in complex with diphenhydramine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE, OCT1 | | Authors: | Suo, Y, Wright, N.J, Lee, S.-Y. | | Deposit date: | 2022-10-16 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2.
Nat.Struct.Mol.Biol., 30, 2023
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9MID
 | | Crystal structure of the VRC01-class antibody 3G08, derived from GT1.1 vaccination, in complex with eOD-GT8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3G08 Fab Heavy Chain, 3G08 Fab Light Chain, ... | | Authors: | Agrawal, S, Wilson, I.A. | | Deposit date: | 2024-12-12 | | Release date: | 2025-05-28 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Precise targeting of HIV broadly neutralizing antibody precursors in humans.
Science, 389, 2025
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9G66
 | | Crystal structure of WT Rhizobium etli L-asparaginase ReAV in complex with L-Asn | | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CADMIUM ION, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-07-18 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Controlling enzyme activity by mutagenesis and metal exchange to obtain crystal structures of stable substrate complexes of Class 3 l-asparaginase.
Febs J., 292, 2025
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9G68
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant in complex with L-Asn | | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-07-18 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Controlling enzyme activity by mutagenesis and metal exchange to obtain crystal structures of stable substrate complexes of Class 3 l-asparaginase.
Febs J., 292, 2025
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7VB8
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5KVC
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