8UTX
 
 | | Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide | | Authors: | Mi, T.X, Burgess, K. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-05 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Bioinformatics leading to conveniently accessible, helix enforcing, bicyclic ASX motif mimics (BAMMs).
Nat Commun, 15, 2024
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7WGQ
 | | X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization | | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma | | Authors: | Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | | Deposit date: | 2021-12-28 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
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7WGP
 | | X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid co-crystals obtained by co-crystallization | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma | | Authors: | Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | | Deposit date: | 2021-12-28 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
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9VVN
 | | Crystal structure of computationally designed protein VTP-4 | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, VTP-4 | | Authors: | Tang, X, Li, Y.H, Xu, Y.L, Kou, L.Y, Ji, P.F. | | Deposit date: | 2025-07-16 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Computational design of verteporfin binding protein
To Be Published
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7QZR
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9O9N
 | | Crystal structure of PPARgamma ligand binding domain (LBD) in complex with NCoR1 corepressor peptide and inverse agonist FX-909 | | Descriptor: | (3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma | | Authors: | Laughlin, Z.T, Dong, J, Harp, J.M, Kojetin, D.J. | | Deposit date: | 2025-04-18 | | Release date: | 2025-05-14 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of PPAR gamma-Mediated Transcriptional Repression by the Covalent Inverse Agonist FX-909.
J.Med.Chem., 68, 2025
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7QTJ
 | | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD up - 1-P2G3 and 1-P5C3 Fabs (Local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ... | | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | | Deposit date: | 2022-01-14 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.01 Å) | | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
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2M32
 | | Alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide | | Descriptor: | GLOGEN peptide, Integrin alpha-1, MAGNESIUM ION | | Authors: | Chin, Y, Headey, S, Mohanty, B, McEwan, P, Swarbrick, J, Mulhern, T, Emsley, J, Simpson, J, Scanlon, M. | | Deposit date: | 2013-01-07 | | Release date: | 2013-11-06 | | Last modified: | 2025-03-26 | | Method: | SOLUTION NMR | | Cite: | The Structure of Integrin alpha 1I Domain in Complex with a Collagen-mimetic Peptide.
J.Biol.Chem., 288, 2013
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5ERD
 | | Crystal structure of human Desmoglein-2 ectodomain | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brasch, J, Harrison, O.J, Shapiro, L. | | Deposit date: | 2015-11-13 | | Release date: | 2016-06-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of adhesive binding by desmocollins and desmogleins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6CBP
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7WSS
 | | Collagenase from Grimontia (Vibrio) hollisae 1706B | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ikeuchi, T, Yasumoto, M, Takita, T, Mizutani, K, Mikami, B, Tanaka, K, Hattori, S, Yasukawa, K. | | Deposit date: | 2022-02-01 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal structure of Grimontia hollisae collagenase provides insights into its novel substrate specificity toward collagen.
J.Biol.Chem., 298, 2022
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2MGZ
 | | Solution structure of RBFOX family ASD-1 RRM and SUP-12 RRM in ternary complex with RNA | | Descriptor: | Protein ASD-1, isoform a, Protein SUP-12, ... | | Authors: | Takahashi, M, Kuwasako, K, Unzai, S, Tsuda, K, Yoshikawa, S, He, F, Kobayashi, N, Guntert, P, Shirouzu, M, Ito, T, Tanaka, A, Yokoyama, S, Hagiwara, M, Kuroyanagi, H, Muto, Y. | | Deposit date: | 2013-11-12 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | RBFOX and SUP-12 sandwich a G base to cooperatively regulate tissue-specific splicing
Nat.Struct.Mol.Biol., 21, 2014
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9OG8
 | | Crystal structure of WRN in complex with compound 43 | | Descriptor: | (3R,4S)-N-[(2R)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-4-{3-[6-(ethanesulfonamido)-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl]propanamido}-1-[(2-fluoro-4-methylphenyl)acetyl]piperidine-3-carboxamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | Authors: | Pemberton, O.A, Tong, Y, Nocek, B, Tang, H.Y.H. | | Deposit date: | 2025-04-30 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Validation, Key Pharmacophores, and X-ray Cocrystal Structures of Novel Biochemically and Cellularly Active WRN Inhibitors Derived from a DNA-Encoded Library Screen.
J.Med.Chem., 68, 2025
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9NO7
 | | Cryo-EM structure of the wild-type Thermus thermophilus 70S ribosome in complex with mRNA, A-site Q230-N5-methylated Release Factor 1, and P-site 2'-deoxy-A76-fMEAAAKC-peptidyl-tRNAcys at 2.13A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Basu, R.S, Vassilevski, A.A, Gagnon, M.G, Polikanov, Y.S. | | Deposit date: | 2025-03-08 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.13 Å) | | Cite: | Mechanism of release factor-mediated peptidyl-tRNA hydrolysis on the ribosome.
Science, 388, 2025
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9OFV
 | | Consensus reconstruction of the eukaryotic Ribosome-associated Quality Control complex | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Li, W, Cahoon, T, Shen, P.S. | | Deposit date: | 2025-04-30 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Mechanism of nascent chain removal by the ribosome-associated quality control complex.
Nat Commun, 16, 2025
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7WCL
 | | Crystal structure of FGFR1 kinase domain with Pemigatinib | | Descriptor: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION | | Authors: | Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H. | | Deposit date: | 2021-12-20 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants.
Commun Chem, 5, 2022
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9OVJ
 | | Structure of human SHOC2 in complex with a small molecule inhibitor (R)-5 | | Descriptor: | (2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid, Leucine-rich repeat protein SHOC-2, POTASSIUM ION | | Authors: | Dhembi, A, Hauseman, Z.J, King, D. | | Deposit date: | 2025-05-30 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Targeting the SHOC2-RAS interaction in RAS-mutant cancers.
Nature, 642, 2025
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9PLY
 | | Crystal structure of the human DCAF1 WDR domain in complex with OICR-40156 | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, ... | | Authors: | Kimani, S, Dong, A, Li, Y, Seitova, A, Krausser, C, Wilson, B, Al-awar, R, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-07-16 | | Release date: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the human DCAF1 WDR domain in complex with OICR-40156
To be published
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7WMU
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-17 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
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7W16
 | | Complex structure of alginate lyase AlyV with M8 | | Descriptor: | GLYCEROL, alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | | Authors: | Liu, W.Z, Lyu, Q.Q, Li, Z.J, Zhang, K.K. | | Deposit date: | 2021-11-19 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements.
Commun Biol, 5, 2022
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9OIO
 | | The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragments 9 and 14 | | Descriptor: | 1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine, 1-[6-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone, DIMETHYL SULFOXIDE, ... | | Authors: | Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W. | | Deposit date: | 2025-05-06 | | Release date: | 2025-07-09 | | Last modified: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex.
Acs Med.Chem.Lett., 16, 2025
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2M1X
 | | TICAM-1 TIR domain structure | | Descriptor: | TIR domain-containing adapter molecule 1 | | Authors: | Enokizono, Y, Kumeta, H, Funami, K, Horiuchi, M, Sarmiento, J, Yamashita, K, Standley, D.M, Matsumoto, M, Seya, T, Inagaki, F. | | Deposit date: | 2012-12-07 | | Release date: | 2014-01-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structures and interface mapping of the TIR domain-containing adaptor molecules involved in interferon signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6CUE
 | | Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-03-26 | | Release date: | 2018-07-11 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
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2M0E
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7WFC
 | | X-ray structure of HKU1-PLP2(Cys109Ser) catalytic mutant in complex with free ubiquitin | | Descriptor: | 1,2-ETHANEDIOL, 60S ribosomal protein L40, Papain-like protease, ... | | Authors: | Xiong, Y.X, Fu, Z.Y, Huang, H. | | Deposit date: | 2021-12-26 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The substrate selectivity of papain-like proteases from human-infecting coronaviruses correlates with innate immune suppression.
Sci.Signal., 16, 2023
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