9IKY
 
 | | Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | | Descriptor: | 1-2C-T96F TCR alpha chain, 1-2C-T96F TCR beta chain, Beta-2-microglobulin, ... | | Authors: | Ma, K.K, Tan, S.G, Gao, G.F, Chai, Y. | | Deposit date: | 2024-06-29 | | Release date: | 2025-06-18 | | Last modified: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | An Engineered Soluble Single-Chain TCR Engager for KRAS-G12V Specific Tumor Immunotherapy.
Adv Sci, 12, 2025
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4K45
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8X7G
 | | Crystal structure of the ternary complex of GID4-PROTAC(NEP108)-BRD4(BD1). | | Descriptor: | 2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide, Bromodomain-containing protein 4, Glucose-induced degradation protein 4 homolog | | Authors: | Dong, C, Yan, X, Li, Y. | | Deposit date: | 2023-11-24 | | Release date: | 2025-03-26 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of PROTACs utilizing the E3 ligase GID4 for targeted protein degradation.
Nat.Struct.Mol.Biol., 32, 2025
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9H26
 | | Structure of rsCherry exposed to oxygen for 69 days | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Bui, T.Y.H, Van Meervelt, L. | | Deposit date: | 2024-10-11 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure analysis of oxygen-induced degradation occurring in rsCherry.
Acta Crystallogr.,Sect.F, 81, 2025
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9H25
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6CLV
 | | Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure | | Descriptor: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase | | Authors: | Gajewski, S, Griffith, E.C, Wu, Y, White, S.W. | | Deposit date: | 2018-03-02 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
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2FR0
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8YLB
 | | Cocrystal structures of agonists compound 1 with HsClpP | | Descriptor: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Zhao, N, Zhu, Y, Bao, R. | | Deposit date: | 2024-03-06 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
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6CVQ
 | | Human Aprataxin (Aptx) H201Q bound to RNA-DNA, AMP and Zn product complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ... | | Authors: | Schellenberg, M.J, Tumbale, P.S, Williams, R.S. | | Deposit date: | 2018-03-28 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
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6CPM
 | | Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-03-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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6CUP
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | Authors: | Phan, J, Abbott, J, Fesik, S.W. | | Deposit date: | 2018-03-26 | | Release date: | 2019-02-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
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6USN
 | | Co-crystal structure of SPR with compound 5 | | Descriptor: | (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Huang, X, Wang, K. | | Deposit date: | 2019-10-28 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.773 Å) | | Cite: | Virtual screening to identify potent sepiapterin reductase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6D08
 | | Crystal structure of an engineered bump-hole complex of mutant human chromobox homolog 1 (CBX1) with H3K9bn peptide | | Descriptor: | Chromobox protein homolog 1, GLYCEROL, Histone H3.1, ... | | Authors: | Arora, S, Horne, W.S, Islam, K. | | Deposit date: | 2018-04-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering Methyllysine Writers and Readers for Allele-Specific Regulation of Protein-Protein Interactions.
J.Am.Chem.Soc., 141, 2019
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9ILA
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6D41
 | | Bacteriodes uniformis beta-glucuronidase 1 bound to D-glucaro-1,5-lactone | | Descriptor: | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, ... | | Authors: | Walton, W.G, Pellock, S.J, Redinbo, M.R. | | Deposit date: | 2018-04-17 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
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9ILF
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9HPH
 | | Protein kinase CK2 bound to KDX1381 | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Krimm, I. | | Deposit date: | 2024-12-13 | | Release date: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of KDX1381, a Bivalent CK2 alpha Inhibitor for the Treatment of Solid Tumors as a Single Agent or in Combination.
J.Med.Chem., 68, 2025
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2FPT
 | | Dual Binding Mode of a Novel Series of DHODH inhibitors | | Descriptor: | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ... | | Authors: | Baumgartner, R, Walloschek, M, Kralik, M, Gotschlich, A, Tasler, S, Leban, J. | | Deposit date: | 2006-01-17 | | Release date: | 2007-01-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
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2FQP
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6D01
 | | Crystal structure of 1210 Fab in complex with circumsporozoite protein NANP5 | | Descriptor: | 1,2-ETHANEDIOL, 1210 Antibody, Light chain, ... | | Authors: | Scally, S.W, Bosch, A, Imkeller, K, Wardemann, H, Julien, J.P. | | Deposit date: | 2018-04-09 | | Release date: | 2018-06-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Antihomotypic affinity maturation improves human B cell responses against a repetitive epitope.
Science, 360, 2018
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6D24
 | | Trypanosoma cruzi Glucose-6-P Dehydrogenase in complex with G6P | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Botti, H, Ortiz, C, Comini, M.A, Larrieux, N, Buschiazzo, A. | | Deposit date: | 2018-04-12 | | Release date: | 2018-05-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Glucose-6-Phosphate Dehydrogenase from the Human Pathogen Trypanosoma cruzi Evolved Unique Structural Features to Support Efficient Product Formation.
J.Mol.Biol., 431, 2019
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6CW8
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5 | | Descriptor: | 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2018-03-30 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
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2FH6
 | | Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with glucose | | Descriptor: | Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose | | Authors: | Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
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6CM4
 | | Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone | | Descriptor: | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, D(2) dopamine receptor, endolysin chimera, ... | | Authors: | Wang, S, Che, T, Levit, A, Shoichet, B.K, Wacker, D, Roth, B.L. | | Deposit date: | 2018-03-02 | | Release date: | 2018-03-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.867 Å) | | Cite: | Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.
Nature, 555, 2018
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6V0S
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