PDB: 242842 resultsInfo pagesStatus searchChemie searchBIRD

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6U7U	NMR solution structure of triazole bridged matriptase inhibitor Descriptor: 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP Authors: White, A.M, Harvey, P.J, Durek, T, Craik, D.J. Deposit date: 2019-09-03 Release date: 2020-04-22 Last modified: 2024-10-23 Method: SOLUTION NMR Cite: Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
8DJ9	Carbonic Anhydrase II in complex with Ibuprofen Descriptor: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ... Authors: Combs, J.C, McKenna, R, Andring, J.T. Deposit date: 2022-06-30 Release date: 2022-11-09 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Ibuprofen: a weak inhibitor of carbonic anhydrase II. Acta Crystallogr.,Sect.F, 78, 2022
7S13	Crystal structure of Fab in complex with mouse CD96 dimer Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... Authors: Lee, P.S, Barman, I, Strop, P. Deposit date: 2021-08-31 Release date: 2021-10-20 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Antibody blockade of CD96 by distinct molecular mechanisms. Mabs, 13, 2021
5KFZ	Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 14 degree Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, ... Authors: Gao, Y, Yang, W. Deposit date: 2016-06-12 Release date: 2016-06-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Capture of a third Mg2+ is essential for catalyzing DNA synthesis. Science, 352, 2016
8WN6	Crystal structure of GH1 beta-glucosidase Td2F2 E352Q sophorose complex Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MALONIC ACID, SODIUM ION, ... Authors: Lin, C.C, Lu, T.J, Fushinobu, S. Deposit date: 2023-10-05 Release date: 2025-01-15 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Structural Basis for Specific Hydrolysis and Synthesis of beta-1-2-glucosidic linkage by Glucose-tolerant beta-glucosidase Td2F2 To Be Published
7RW5	Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 Descriptor: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 Authors: Jin, L, Padyana, A.K. Deposit date: 2021-08-19 Release date: 2022-03-23 Last modified: 2024-12-25 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
8AO3	Specific covalent inhibitor of ERK2 Descriptor: 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.778 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8OXE	Inositol 1,3,4-trisphosphate 5/6-kinase 1 from Solanum tuberosum (StITPK1) in complex with ADP/Mg2+ Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MAGNESIUM ION Authors: Faba-Rodriguez, R, Li, A.W.H, Brearley, C.A, Hemmings, A.M. Deposit date: 2023-05-02 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Crystal Structure and Enzymology of Solanum tuberosum Inositol Tris/Tetrakisphosphate Kinase 1 ( St ITPK1). Biochemistry, 63, 2024
8WS7	Cryo-EM mini structure of Cas12-1 with 10 nt complementary heteroduplex Descriptor: Cas12-1, NTS, TS, ... Authors: Kuo, Z, Xi, Z. Deposit date: 2023-10-16 Release date: 2025-04-16 Last modified: 2025-07-02 Method: ELECTRON MICROSCOPY (3.26 Å) Cite: Cryo-EM mini structure of Cas12-1 with 10 nt complementary heteroduplex To Be Published
9DUI	Re-refined of Crystal structure of dopa decarboxylase in complex with the inhibitor carbidopa (1JS3) with ketoenamine form of carbidopa Descriptor: (2S)-3-(3,4-dihydroxyphenyl)-2-[(2E)-2-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)hydrazin-1-yl]-2-methylpropanoic acid, Aromatic-L-amino-acid decarboxylase, SULFATE ION Authors: Doukov, I.T, Berkowitz, B.D. Deposit date: 2024-10-03 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.25 Å) Cite: alpha-Hydrazino Acids Inhibit Pyridoxal Phosphate-Dependent Decarboxylases via "Catalytically Correct" Ketoenamine Tautomers: A Special Motif for Chemical Biology and Drug Discovery? Acs Catalysis, 15, 2025
6VVJ	Cap1G-TPUA Descriptor: RNA (130-MER) Authors: Summers, M.F, Brown, J.D. Deposit date: 2020-02-18 Release date: 2020-04-29 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structural basis for transcriptional start site control of HIV-1 RNA fate. Science, 368, 2020
8WRR	Cryo-EM structure of Cas12-1 with 10 nt complementary heteroduplex Descriptor: Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex, NTS, RNA (39-MER), ... Authors: Zhang, X, Zhang, K. Deposit date: 2023-10-16 Release date: 2025-04-16 Last modified: 2025-06-18 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Cryo-EM structure of Cas12-1 with 10 nt complementary heteroduplex To Be Published
9DHB	STRUCTURE OF SERINE HYDROXYMETHYLTRANSFERASE 5 FROM GLYCINE MAX CULTIVAR ESSEX COMPLEXED WITH PLP-GLYCINE AND 5-FORMYLTETRAHYDROFOLATE Descriptor: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... Authors: Beamer, L.J, Owuocha, L.F. Deposit date: 2024-09-03 Release date: 2025-09-17 Method: X-RAY DIFFRACTION (1.96 Å) Cite: STRUCTURE OF SERINE HYDROXYMETHYLTRANSFERASE 5 FROM GLYCINE MAX CULTIVAR ESSEX COMPLEXED WITH PLP-GLYCINE AND 5-FORMYLTETRAHYDROFOLATE To Be Published
8WRQ	Cryo-EM structure of Cas12-1 with 14 nt complementary heteroduplex Descriptor: Cas12-1, CrRNA, NTS, ... Authors: Zhang, K, Zhang, X. Deposit date: 2023-10-16 Release date: 2025-04-16 Last modified: 2025-06-18 Method: ELECTRON MICROSCOPY (3.05 Å) Cite: Cryo-EM structure of Cas12-1 with 14 nt complementary heteroduplex To Be Published
8WS9	Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex Descriptor: Cas12-1, NTS, TS, ... Authors: Kuo, Z, Xi, Z. Deposit date: 2023-10-17 Release date: 2025-04-16 Last modified: 2025-06-18 Method: ELECTRON MICROSCOPY (3.78 Å) Cite: Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex To Be Published
8APF	rotational state 2a of the Trypanosoma brucei mitochondrial ATP synthase dimer Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... Authors: Muehleip, A, Gahura, O, Zikova, A, Amunts, A. Deposit date: 2022-08-09 Release date: 2022-10-26 Method: ELECTRON MICROSCOPY (4.3 Å) Cite: An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
8WRS	Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex Descriptor: Cas12-1, NTS, RNA, ... Authors: Kuo, Z, Xi, Z. Deposit date: 2023-10-16 Release date: 2025-04-16 Last modified: 2025-06-25 Method: ELECTRON MICROSCOPY (2.93 Å) Cite: Cryo-EM structure of Cas12-1 with 5 nt complementary heteroduplex To Be Published
8APD	rotational state 1d of the Trypanosoma brucei mitochondrial ATP synthase dimer Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... Authors: Muehleip, A, Gahura, O, Zikova, A, Amunts, A. Deposit date: 2022-08-09 Release date: 2022-10-26 Method: ELECTRON MICROSCOPY (3.7 Å) Cite: An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
8WRP	Cryo-EM structure of Cas12-1 with 20 nt complementary heteroduplex Descriptor: Cas12-1, DNA (28-MER), DNA (5'-D(P*TP*GP*GP*CP*CP*AP*AP*TP*TP*C)-3'), ... Authors: Kuo, Z, Xi, Z. Deposit date: 2023-10-16 Release date: 2025-04-16 Last modified: 2025-07-02 Method: ELECTRON MICROSCOPY (2.83 Å) Cite: Cryo-EM mini structure of Cas12-1 with 5 nt complementary heteroduplex To Be Published
5XVU	Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... Authors: El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q. Deposit date: 2017-06-28 Release date: 2017-07-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (3 Å) Cite: The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition. Sci Rep, 8, 2018
5KGI	Crystal structure of PIM1 with inhibitor 2-[3,4-bis(chloranyl)phenoxy]ethanamine Descriptor: 1,2-ETHANEDIOL, 2-[3,4-bis(chloranyl)phenoxy]ethanamine, SULFATE ION, ... Authors: Ferguson, A.D. Deposit date: 2016-06-13 Release date: 2017-08-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Structure of PIM1 in complex with inhibitor To Be Published
9HRC	Structure of MNK2 in complex with inhibitor NUCC-0201049 Descriptor: 1-[5-chloranyl-4-[(3~{R})-pyrrolidin-3-yl]oxy-pyrimidin-2-yl]benzimidazole, GLYCEROL, MAP kinase-interacting serine/threonine-protein kinase 2, ... Authors: Schiltz, G.E, Vagadia, P.V. Deposit date: 2024-12-17 Release date: 2025-03-12 Last modified: 2025-03-26 Method: X-RAY DIFFRACTION (3.161 Å) Cite: Discovery of Potent and Selective MNK Kinase Inhibitors for the Treatment of Leukemia. J.Med.Chem., 68, 2025
6BG9	HYBRID NMR/CRYO-EM STRUCTURE OF THE HIV-1 RNA DIMERIZATION SIGNAL Descriptor: RNA dimerization signal Authors: Summers, M.F. Deposit date: 2017-10-27 Release date: 2018-02-21 Last modified: 2024-05-01 Method: ELECTRON MICROSCOPY (9 Å), SOLUTION NMR Cite: Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR, and Molecular Dynamics Approach. Structure, 26, 2018
8AP6	Trypanosoma brucei mitochondrial F1Fo ATP synthase dimer Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... Authors: Muehleip, A, Gahura, O, Zikova, A, Amunts, A. Deposit date: 2022-08-09 Release date: 2022-12-07 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
5GV1	Crystal structure of ENZbleach xylanase wild type Descriptor: Endo-1,4-beta-xylanase Authors: Chitnumsub, P, Jaruwat, A, Boonyapakorn, K, Noytanom, K. Deposit date: 2016-09-01 Release date: 2017-08-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching J. Biotechnol., 259, 2017

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