5APH
 
 | | Ligand complex of RORg LBD | | Descriptor: | DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2015-09-16 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
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8CD9
 | | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | | Authors: | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | | Deposit date: | 2023-01-30 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
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7M7G
 | | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2 | | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-11-17 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
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6P0M
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8CHF
 | | cryo-EM Structure of Craf:14-3-3:Mek1 | | Descriptor: | 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Dedden, D, Ulrich, G. | | Deposit date: | 2023-02-07 | | Release date: | 2024-02-21 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
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6OJP
 | | Structure of glycolipid alpha-GSA[8,6P] in complex with mouse CD1d | | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Zajonc, D.M, Bitra, A. | | Deposit date: | 2019-04-11 | | Release date: | 2019-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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8DCB
 | | RNA ligase RtcB from Pyrococcus horikoshii in complex with Ni2+ and GTP | | Descriptor: | CHLORIDE ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | | Deposit date: | 2022-06-16 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
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8DCF
 | | RNA ligase RtcB from Pyrococcus horikoshii in complex with Cu2+ and GTP | | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | | Deposit date: | 2022-06-16 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
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6HTC
 | | Yeast 20S proteasome with human beta2c (S171G) in complex with ONX 0914 | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-03 | | Release date: | 2019-01-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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5C1I
 | | m1A58 tRNA methyltransferase mutant - D170A | | Descriptor: | SULFATE ION, tRNA (adenine(58)-N(1))-methyltransferase TrmI | | Authors: | Ponchon, L, Degut, C, Folly-Klan, M, Barraud, P, Tisne, C. | | Deposit date: | 2015-06-14 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The m1A58 modification in eubacterial tRNA: An overview of tRNA recognition and mechanism of catalysis by TrmI.
Biophys.Chem., 210, 2016
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8DCA
 | | RNA ligase RtcB from Pyrococcus horikoshii in complex with Co2+ and GTP | | Descriptor: | COBALT (II) ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | | Deposit date: | 2022-06-16 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
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7B6S
 | | Sheep Polyomavirus VP1 in complex with 10 mM Forssman antigen pentaose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ... | | Authors: | Rustmeier, N.H, Stehle, T. | | Deposit date: | 2020-12-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.923 Å) | | Cite: | A novel and highly specific Forssman antigen-binding protein from sheep polyomavirus
Biorxiv, 2023
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6L6G
 | | Crystal structure of SeMet_Lpg0189 | | Descriptor: | GLYCEROL, Uncharacterized protein Lpg0189 | | Authors: | Ge, H, Chen, X. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
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4ZHM
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5HEN
 | | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2016-01-06 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
To Be Published
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4ZIJ
 | | Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA | | Authors: | Vazirani, M, Ilyichova, O.V, Scanlon, M.J. | | Deposit date: | 2015-04-28 | | Release date: | 2016-05-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
J.Biomol.Nmr, 66, 2016
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8Y37
 | | Cryo-EM structure of Staphylococcus aureus (15B196) 50S ribosome in complex with MCX-190. | | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, 7-[4-[3-[[(1~{S},2~{R},5~{R},6~{S},7~{S},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-tris(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl]oxycarbonylamino]propoxy]but-1-ynyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid, ... | | Authors: | Li, Y, Lu, G, Li, J, Pei, X, Lin, J. | | Deposit date: | 2024-01-28 | | Release date: | 2024-07-24 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Synthetic macrolides overcoming MLS B K-resistant pathogens.
Cell Discov, 10, 2024
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8XX0
 | | Crystal structure of anti-IgE antibody HMK-12 Fab complexed with IgE F(ab')2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SPE7 immunoglobulin E F(ab')2 heavy chain, ... | | Authors: | Hirano, T, Koyanagi, A, Kasai, M, Okumura, K. | | Deposit date: | 2024-01-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Allosteric inhibition of IgE-Fc epsilon RI interactions by simultaneous targeting of IgE F(ab')2 epitopes.
Commun Biol, 7, 2024
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9IYK
 | | Crystal structure of hSOD1 in C121 space group | | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | | Authors: | Yapici, I, DeMirci, H. | | Deposit date: | 2024-07-30 | | Release date: | 2024-08-14 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural Insights into the Dynamics of Water in SOD1 Catalysis and Drug Interactions.
Int J Mol Sci, 26, 2025
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4H07
 | | Complex of G65T Myoglobin with Phenol in its Proximal Cavity | | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PHENOL, ... | | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | | Deposit date: | 2012-09-07 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Complex of myoglobin with phenol bound in a proximal cavity.
Acta Crystallogr.,Sect.F, 68, 2012
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8CSQ
 | | Human mitochondrial small subunit assembly intermediate (State B) | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Harper, N.J, Burnside, C, Klinge, S. | | Deposit date: | 2022-05-13 | | Release date: | 2022-12-14 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
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8YBK
 | | Cryo-EM structure of the human nucleosome containing the H3.1 E97K mutant | | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kimura, T, Hirai, S, Kujirai, T, Ogasawara, M, Takizawa, Y, Kurumizaka, H. | | Deposit date: | 2024-02-14 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Cryo-EM structure and biochemical analyses of the nucleosome containing the cancer-associated histone H3 mutation E97K.
Genes Cells, 29, 2024
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8CSR
 | | Human mitochondrial small subunit assembly intermediate (State C) | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Harper, N.J, Burnside, C, Klinge, S. | | Deposit date: | 2022-05-13 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
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6PCT
 | | E. coli 50S ribosome bound to compound 41q | | Descriptor: | (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-06-17 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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6PCQ
 | | E. coli 50S ribosome bound to VM2 | | Descriptor: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-06-17 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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