9OJO
 
 | | Crystal structure of TNF alpha in complex with compound 1 | | Descriptor: | 2-{5-[(1S,10S)-1-phenyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazol-8-yl]pyrimidin-2-yl}propan-2-ol, Tumor necrosis factor | | Authors: | Judge, R.A, Bian, Z, Longenecker, K.L. | | Deposit date: | 2025-05-08 | | Release date: | 2025-07-23 | | Last modified: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.358 Å) | | Cite: | Discovery of Orally Efficacious Bridged Piperazines as smTNF Modulators.
J.Med.Chem., 68, 2025
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9OJP
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9RQ4
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry D06 | | Descriptor: | (3-methoxyphenyl)(pyrrolidin-1-yl)methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2025-06-25 | | Release date: | 2025-10-15 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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9S3A
 | | TaGST-10 in complex with deoxynivalenol-13-glutathione | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Deoxynivalenol-13-cysteine, ... | | Authors: | Michlmayr, H, Papageorgiou, A.C. | | Deposit date: | 2025-07-24 | | Release date: | 2025-08-27 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Detoxification of deoxynivalenol by pathogen-inducible tau-class glutathione transferases from wheat.
J.Biol.Chem., 301, 2025
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9OQ9
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9QQ0
 | | KRAS-G12D(1-169) - GDP IN covalent COMPLEX WITH compound (3R,4R)-3 | | Descriptor: | (2~{R})-2-ethyl-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-4-oxidanylidene-butanoic acid, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Ostermann, N. | | Deposit date: | 2025-03-31 | | Release date: | 2025-07-23 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.546 Å) | | Cite: | Promise and Challenge of beta-Lactone Electrophiles to Target Aspartate 12 of Mutant KRAS G12D .
J.Med.Chem., 68, 2025
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9P6B
 | | Cryo-EM structure of full-length human TRPV1 in the presence of alpha-humulene | | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ... | | Authors: | Talyzina, I.A, Sobolevsky, A.I. | | Deposit date: | 2025-06-18 | | Release date: | 2025-07-23 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structural basis of the inhibition of TRPV1 by analgesic sesquiterpenes.
Proc.Natl.Acad.Sci.USA, 122, 2025
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9P1H
 | | 100K human S-adenosylmethionine decarboxylase | | Descriptor: | 1,4-DIAMINOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Patel, J.R, Bonzon, T.J, Bahkt, T, Fagbohun, O.O, Clinger, J.A. | | Deposit date: | 2025-06-10 | | Release date: | 2025-09-17 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Multi-Temperature Crystallography of S-Adenosylmethionine Decarboxylase Observes Dynamic Loop Motions.
Biomolecules, 15, 2025
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9Q1M
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9VEI
 | | structure of human KCNQ1-KCNE1-CaM complex with PIP2 | | Descriptor: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily E member 1, ... | | Authors: | Cui, C, Kermani, A, Cui, J, Sun, J. | | Deposit date: | 2025-06-09 | | Release date: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanisms of KCNQ1 gating modulation by KCNE1/3 for cell-specific function.
Cell Res., 2025
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9R2E
 | | Structure of ARGX-121 Fab fragment in complex with the Fc fragment of IgA1 | | Descriptor: | 1,2-ETHANEDIOL, ARGX-121 Fab fragment heavy chain, ARGX-121 Fab fragment light chain, ... | | Authors: | Pannecoucke, E, Voet, S, Deweirdt, L, Verbeiren, J, Gabriels, S, Provost, M, Freier, R, Koenig, J, Lammens, A, Silence, K. | | Deposit date: | 2025-04-30 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structure of ARGX-121 Fab fragment in complex with the Fc fragment of IgA1
To Be Published
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9SKO
 | | Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAVS | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Liu, Y, Gfeller, D, Guillaume, P, Larabi, A, Lau, K, Pojer, F. | | Deposit date: | 2025-09-02 | | Release date: | 2025-09-17 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAVS
To Be Published
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9SKP
 | | Crystal structure of HLA-A0201 in complex with peptide SLLWNGPMAV | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Liu, Y, Gfeller, D, Guillaume, P, Larabi, A, Lau, K, Pojer, F. | | Deposit date: | 2025-09-02 | | Release date: | 2025-09-17 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of HLA-A0201 in complex with peptide SLLWNGPMAV
To Be Published
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9Y76
 | | Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120 | | Descriptor: | (4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Mamai, A, Al-awar, R, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-09-09 | | Release date: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120
To be published
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9RBG
 | | X-ray structure of decavanadate/lysozyme adduct obtained when the protein is treated with Cs2[V(V)2O4(mal)2]2H2O (structure A) | | Descriptor: | 2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,5$l^{3},7-trioxa-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid, CHLORIDE ION, DECAVANADATE, ... | | Authors: | Paolillo, M, Ferraro, G, Merlino, A. | | Deposit date: | 2025-05-26 | | Release date: | 2025-08-13 | | Last modified: | 2025-10-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Speciation and structural transformation of a V V -malate complex in the absence and in the presence of a protein: from a dinuclear species to decavanadate.
Inorg Chem Front, 12, 2025
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9QFB
 | | Cryo-EM structure of the fully Coronin-1B-decorated actin filament in the ADP state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S. | | Deposit date: | 2025-03-11 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-22 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
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9RCW
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9QCZ
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV K263A mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2025-03-05 | | Release date: | 2025-07-16 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing the Active Site of Class 3 L-Asparaginase by Mutagenesis: Mutations of the Ser-Lys Tandems of ReAV.
Biomolecules, 15, 2025
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9VAK
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9OJQ
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9VEO
 | | structure of human KCNQ1-CaM-PIP2 complex with straight conformation | | Descriptor: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1, ... | | Authors: | Cui, C, Kermani, A, Cui, J, Sun, J. | | Deposit date: | 2025-06-09 | | Release date: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanisms of KCNQ1 gating modulation by KCNE1/3 for cell-specific function.
Cell Res., 2025
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9S71
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9S70
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9QFD
 | | Cryo-EM structure of the fully cofilin-1-decorated actin filament (cofilactin) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S. | | Deposit date: | 2025-03-11 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-22 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
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9VEN
 | | structure of human KCNQ1-CaM-PIP2 complex with bent conformation | | Descriptor: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1, ... | | Authors: | Cui, C, Kermani, A, Cui, J, Sun, J. | | Deposit date: | 2025-06-09 | | Release date: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Mechanisms of KCNQ1 gating modulation by KCNE1/3 for cell-specific function.
Cell Res., 2025
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