7U9P
| SARS-CoV-2 spike trimer RBD in complex with Fab NA8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NA8 Fab heavy chain, NA8 Fab light chain, ... | Authors: | Tsybovsky, Y, Kwong, P.D, Farci, P. | Deposit date: | 2022-03-11 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants. Cell Rep, 41, 2022
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6DEF
| Vps1 GTPase-BSE fusion complexed with GMPPCP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Vps1 GTPase-BSE | Authors: | Ford, M.G.J, Varlakhanova, N.V, Brady, T.M, Chappie, J.S, Hosford, C.J. | Deposit date: | 2018-05-11 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture. J. Cell Biol., 217, 2018
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6DBO
| Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | Descriptor: | CALCIUM ION, Forward strand of substrate RSS DNA, Recombination activating gene 1 - MBP chimera, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DI7
| Vps1 GTPase-BSE fusion complexed with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative sorting protein | Authors: | Varlakhanova, N.V, Brady, T.M, Ford, M.G.J. | Deposit date: | 2018-05-22 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture. J. Cell Biol., 217, 2018
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6E0P
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6DZT
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6E0C
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4FJQ
| Crystal Structure of an alpha-Bisabolol synthase | Descriptor: | Amorpha-4,11-diene synthase | Authors: | Jianxu, L, Peng, Z. | Deposit date: | 2012-06-12 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0001 Å) | Cite: | Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency. Biochem.J., 451, 2013
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8BCM
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1GNE
| THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C. | Deposit date: | 1994-06-16 | Release date: | 1994-11-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV. Protein Sci., 3, 1994
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7RE8
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7RE9
| TCR mimic antibody (Fab fragment) | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain | Authors: | Dasgupta, M, Baker, B.M. | Deposit date: | 2021-07-12 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma. Sci Rep, 12, 2022
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7RE7
| TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, FORMIC ACID, ... | Authors: | Dasgupta, M, Baker, B.M. | Deposit date: | 2021-07-12 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.547 Å) | Cite: | Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma. Sci Rep, 12, 2022
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4WHJ
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8BSN
| Human GLS in complex with compound 27 | Descriptor: | (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | Authors: | Debreczeni, J.E. | Deposit date: | 2022-11-25 | Release date: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
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8BSL
| Human GLS in complex with compound 12 | Descriptor: | Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide | Authors: | Debreczeni, J.E. | Deposit date: | 2022-11-25 | Release date: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
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8BSK
| Human GLS in complex with compound 3 | Descriptor: | Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | Authors: | Debreczeni, J.E. | Deposit date: | 2022-11-25 | Release date: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
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8BSM
| Human GLS in complex with compound 18 | Descriptor: | 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | Authors: | Debreczeni, J.E. | Deposit date: | 2022-11-25 | Release date: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.782 Å) | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
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2QN1
| Glycogen Phosphorylase b in complex with asiatic acid | Descriptor: | Glycogen phosphorylase, muscle form, asiatic acid | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-07-17 | Release date: | 2008-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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6L6V
| SPO1 Gp44 N-terminal region (1-55) | Descriptor: | E3 protein | Authors: | Liu, B, Wang, Z. | Deposit date: | 2019-10-29 | Release date: | 2021-05-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Bacteriophage DNA Mimic Protein Employs a Non-specific Strategy to Inhibit the Bacterial RNA Polymerase. Front Microbiol, 12, 2021
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6VBP
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6VBQ
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6VBO
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6LZZ
| Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a | Descriptor: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Huang, Y.Y, Wu, Y, Luo, H.B. | Deposit date: | 2020-02-19 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40003753 Å) | Cite: | Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors To Be Published
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6VA3
| Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC | Descriptor: | 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
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