7OKP
 
 | | Crystal structure of mouse CARM1 in complex with histone H3_13-22 K18 acetylated | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.3, Histone-arginine methyltransferase CARM1, ... | | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-05-18 | | Release date: | 2021-10-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
|
|
7O49
 | |
4GBX
 | | Crystal structure of an immune complex at pH 6.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DM alpha chain, ... | | Authors: | Sethi, D.K, Pos, W, Wucherpfennig, K.W. | | Deposit date: | 2012-07-28 | | Release date: | 2013-01-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the HLA-DM-HLA-DR1 Complex Defines Mechanisms for Rapid Peptide Selection.
Cell(Cambridge,Mass.), 151, 2012
|
|
4FTS
 | | Crystal structure of the N363T mutant of the Flock House virus capsid | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E. | | Deposit date: | 2012-06-28 | | Release date: | 2012-08-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
|
|
4GBP
 | | Crystal Structure of BBBB+UDP+Gal at pH 10 with MPD as the cryoprotectant | | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | | Deposit date: | 2012-07-27 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
|
|
4W29
 | | 70S ribosome translocation intermediate containing elongation factor EFG/GDP/fusidic acid, mRNA, and tRNAs trapped in the AP/AP pe/E chimeric hybrid state. | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Zhou, J, Lancaster, L, Donohue, J.P, Noller, H.F. | | Deposit date: | 2014-07-02 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | How the ribosome hands the A-site tRNA to the P site during EF-G-catalyzed translocation.
Science, 345, 2014
|
|
4WE7
 | | Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain | | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J. | | Deposit date: | 2014-09-09 | | Release date: | 2015-02-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
|
|
4W67
 | | Crystal structure of Prp peptide | | Descriptor: | PrP peptide | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-08-20 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.001 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
|
|
4V4C
 | | Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, CALCIUM ION, ... | | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | | Deposit date: | 2004-06-02 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
PROC.NATL.ACAD.SCI.USA, 101, 2004
|
|
9GL9
 | | Wild-type EGFR bound with STX-721 | | Descriptor: | (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one, CHLORIDE ION, Epidermal growth factor receptor | | Authors: | Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A. | | Deposit date: | 2024-08-27 | | Release date: | 2025-05-14 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (2.147 Å) | | Cite: | STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 31, 2025
|
|
9GL7
 | | EGFR Exon20 insertion mutant NPG bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | | Descriptor: | 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Epidermal growth factor receptor | | Authors: | Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A. | | Deposit date: | 2024-08-27 | | Release date: | 2025-05-14 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 31, 2025
|
|
9GMC
 | | Crystal structure of the complex formed between the radical SAM protein ChlB and the R3A mutant of ChlA | | Descriptor: | ACETATE ION, ChlA R3A mutant, ChlB radical SAM domain, ... | | Authors: | de la Mora, E, Ruel, J, Usclat, A, Martin, L, Amara, P, Morinaka, B, Nicolet, Y. | | Deposit date: | 2024-08-28 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Peptide Recognition and Mechanism of the Radical S -Adenosyl-l-methionine Multiple Cyclophane Synthase ChlB.
J.Am.Chem.Soc., 147, 2025
|
|
9GM3
 | | Crystal structure of the complex formed between the radical SAM protein ChlB and the leader region of its precursor substrate ChlA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ChlA, ChlB radical SAM domain, ... | | Authors: | de la Mora, E, Ruel, J, Usclat, A, Martin, L, Amara, P, Morinaka, B, Nicolet, Y. | | Deposit date: | 2024-08-28 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Peptide Recognition and Mechanism of the Radical S -Adenosyl-l-methionine Multiple Cyclophane Synthase ChlB.
J.Am.Chem.Soc., 147, 2025
|
|
9GJ9
 | |
4FG3
 | |
4FG7
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-293 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | | Deposit date: | 2012-06-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
|
|
4W1W
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one | | Descriptor: | 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Ran, D. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
|
|
4FLI
 | | Human MetAP1 with bengamide analog Y16, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Ye, Q.Z, Xu, W. | | Deposit date: | 2012-06-14 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
|
|
4FGJ
 | | Oxidized quinone reductase 2 in complex with primaquine | | Descriptor: | (4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Leung, K.K, Shilton, B.H. | | Deposit date: | 2012-06-04 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.346 Å) | | Cite: | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction
J.Biol.Chem., 2013
|
|
4W6V
 | | Crystal structure of a peptide transporter from Yersinia enterocolitica at 3 A resolution | | Descriptor: | Di-/tripeptide transporter | | Authors: | Jeckelmann, J.-M, Boggavarapu, R, Harder, D, Ucurum, Z, Fotiadis, D. | | Deposit date: | 2014-08-21 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.01819 Å) | | Cite: | Role of electrostatic interactions for ligand recognition and specificity of peptide transporters.
Bmc Biol., 13, 2015
|
|
8PE9
 | | Complex between DDR1 DS-like domain and PRTH-101 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N. | | Deposit date: | 2023-06-13 | | Release date: | 2023-06-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.152 Å) | | Cite: | A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
|
|
4FNY
 | | Crystal structure of the R1275Q anaplastic lymphoma kinase catalytic domain in complex with a benzoxazole inhibitor | | Descriptor: | ALK tyrosine kinase receptor, N-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine | | Authors: | Whittington, D.A, Epstein, L.F, Chen, H. | | Deposit date: | 2012-06-20 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
|
|
7OL3
 | | Human ATL1 N417ins (catalytic core) | | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kelly, C.M, Sondermann, H. | | Deposit date: | 2021-05-19 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel insertion mutation in atlastin 1 is associated with spastic quadriplegia, increased membrane tethering, and aberrant conformational switching.
J.Biol.Chem., 298, 2021
|
|
4W7T
 | | Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | | Descriptor: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha | | Authors: | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | | Deposit date: | 2014-08-22 | | Release date: | 2014-11-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57, 2014
|
|
4FOV
 | |
