7UGM
 
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6MOU
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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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7B53
 | | Crystal structure of MurE from E.coli | | Descriptor: | 1,2-ETHANEDIOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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8IZC
 | | Human CK1 Delta Kinase structure bound to Inhibitor | | Descriptor: | Casein kinase I isoform delta, SULFATE ION, ~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide | | Authors: | Ghosh, K. | | Deposit date: | 2023-04-06 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Discovery of BMS-986164, a Potent, Selective and Orally Efficacious CK1d/e/a Inhibitor from Pyrazolo-Piperazine Chemotype
To Be Published
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8GQV
 | | The Crystal Structures of a Swine SLA-2*HB01 Molecules Complexed with a CTL epitope from Asia1 serotype of Foot-and-mouth disease virus | | Descriptor: | As64, MHC class I antigen, beta 2 microglobulin | | Authors: | Feng, L, Gao, Y.Y, Sun, M.W, Li, Z.B, Zhang, Q, Yang, J, Qiao, C, Jin, H, Feng, H.S, Xian, Y.H, Qi, J.X, Gao, G.F, Liu, W.J, Gao, F.S. | | Deposit date: | 2022-08-31 | | Release date: | 2023-01-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Parallel Presentation of Two Functional CTL Epitopes Derived from the O and Asia 1 Serotypes of Foot-and-Mouth Disease Virus and Swine SLA-2*HB01: Implications for Universal Vaccine Development.
Cells, 11, 2022
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8GQW
 | | The Crystal Structures of a Swine SLA-2*HB01 Molecules Complexed with a CTL epitope from Asia1 serotype of Foot-and-mouth disease virus | | Descriptor: | Hu64, MHC class I antigen, beta 2 microglobulin | | Authors: | Feng, L, Gao, Y.Y, Sun, M.W, Li, Z.B, Zhang, Q, Yang, J, Qiao, C, Jin, H, Feng, H.S, Xian, Y.H, Qi, J.X, Gao, G.F, Liu, W.J, Gao, F.S. | | Deposit date: | 2022-08-31 | | Release date: | 2023-01-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | The Parallel Presentation of Two Functional CTL Epitopes Derived from the O and Asia 1 Serotypes of Foot-and-Mouth Disease Virus and Swine SLA-2*HB01: Implications for Universal Vaccine Development.
Cells, 11, 2022
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9JFO
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4WI4
 | | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | | Deposit date: | 2014-09-25 | | Release date: | 2015-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
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3LS4
 | | Crystal Structure of Anti-tetrahydrocannabinol Fab Fragment in Complex with THC | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Heavy chain of antibody Fab fragment, Light chain of antibody Fab fragment | | Authors: | Niemi, M.H, Rouvinen, J. | | Deposit date: | 2010-02-12 | | Release date: | 2010-06-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural insight into the molecular recognition of a (-)-Delta9-tetrahydrocannabinol and the development of a sensitive, one-step, homogeneous immunocomplex-based assay for its detection
J.Mol.Biol., 400, 2010
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6VL4
 | | Crystal Structure of mPGES-1 bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-22 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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7AQB
 | | Crystal structure of human mitogen activated protein kinase 6 (MAPK6) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Mitogen-activated protein kinase 6 | | Authors: | Filippakopoulos, P, Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-10-20 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3.
Int J Mol Sci, 21, 2020
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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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6VV1
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT384 | | Descriptor: | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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8GFD
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8JHU
 | | Legionella effector protein SidI | | Descriptor: | Legionella pneumophila effector protein SidI | | Authors: | Wang, L, Subramanian, A, Mukherjee, S, Walter, P. | | Deposit date: | 2023-05-25 | | Release date: | 2023-08-30 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
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8IU0
 | | Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 H225F mutant in lipid nanodisc | | Descriptor: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ... | | Authors: | Tajima, S, Kim, Y, Nakamura, S, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E. | | Deposit date: | 2023-03-23 | | Release date: | 2023-09-06 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
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7B6P
 | | Crystal structure of E.coli MurE - C269S C340S C450S in complex with Ellman's reagent | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, ISOPROPYL ALCOHOL, ... | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-08 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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7UWU
 | | Starch adherence system protein 6 (Sas6) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Starch Adherence System protein 6 (Sas6), ... | | Authors: | Photenhauer, A.L, Koropatkin, N.M. | | Deposit date: | 2022-05-04 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch.
Nat.Struct.Mol.Biol., 31, 2024
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6WAE
 | | Crystal Structure of 6X-His tagged SmcR | | Descriptor: | 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION | | Authors: | Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C. | | Deposit date: | 2020-03-25 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
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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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7APN
 | | Structure of Lipase TL from bulk agarose grown crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ... | | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | | Deposit date: | 2020-10-19 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Production of Cross-Linked Lipase Crystals at a Preparative Scale.
Cryst.Growth Des., 21, 2021
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7KBX
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6W1B
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7Q4G
 | | Structure of coproheme decarboxylase from Corynebacterium dipththeriae Y135A mutant in complex with coproheme | | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER | | Authors: | Michlits, H, Valente, N, Mlynek, G, Hofbauer, S. | | Deposit date: | 2021-10-30 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes.
Front Bioeng Biotechnol, 9, 2021
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