PDB: 243531 resultsInfo pagesStatus searchChemie searchBIRD

---

2O7Q	Crystal Structure of the A. thaliana DHQ-dehydroshikimate-SDH-shikimate-NADP(H) Descriptor: 3-DEHYDROSHIKIMATE, Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, SULFATE ION Authors: Christendat, D, Singh, S.A. Deposit date: 2006-12-11 Release date: 2007-11-20 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The DHQ-dehydroshikimate-SDH-shikimate-NADP(H) Complex: Insights into Metabolite Transfer in the Shikimate Pathway Cryst.Growth Des., 7, 2007
3MI5	Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase Descriptor: BETA-MERCAPTOETHANOL, CATECHOL, CHLORIDE ION, ... Authors: Purpero, V.M, Lipscomb, J.D. Deposit date: 2010-04-09 Release date: 2011-04-27 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase To be Published
2O7S	Crystal Structure of the A. thaliana DHQ-dehydroshikimate-SDH-shikimate-NADP(H) Descriptor: 3-DEHYDROSHIKIMATE, Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, L(+)-TARTARIC ACID, ... Authors: Christendat, D, Singh, S.A. Deposit date: 2006-12-11 Release date: 2007-11-20 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.78 Å) Cite: The DHQ-dehydroshikimate-SDH-shikimate-NADP(H) Complex: Insights into Metabolite Transfer in the Shikimate Pathway Cryst.Growth Des., 7, 2007
4USE	Human STK10 (LOK) with SB-633825 Descriptor: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 Authors: Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. Deposit date: 2014-07-07 Release date: 2015-07-22 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
4V1J	Structure of Neisseria meningitidis Major Pillin Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FIMBRIAL PROTEIN Authors: Harding, R.J, Exley, R, Tang, C.M, Caesar, J.J.E, Lea, S.M. Deposit date: 2014-09-29 Release date: 2016-01-13 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Tstructure of Neisseria Meningitidis Major Pillin To be Published
4W8D	Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). Descriptor: 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit Authors: Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. Deposit date: 2014-08-24 Release date: 2015-03-18 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
4WBU	prion peptide Descriptor: PrP peptide Authors: Yu, L, Lee, S.-J, Yee, V. Deposit date: 2014-09-03 Release date: 2015-05-27 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations. Biochemistry, 54, 2015
4W1O	PDE4D complexed with inhibitor Descriptor: N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D Authors: Sorensen, M.D. Deposit date: 2014-08-14 Release date: 2014-11-05 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis J.Med.Chem, 57, 2014
4UWA	Structure of the ryanodine receptor at resolution of 6.1 A in closed state Descriptor: RYANODINE RECEPTOR 1 Authors: Efremov, R.G, Leitner, A, Aebersold, R, Raunser, S. Deposit date: 2014-08-11 Release date: 2014-12-10 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (6.1 Å) Cite: Architecture and Conformational Switch Mechanism of the Ryanodine Receptor. Nature, 517, 2015
9XY1	One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (26-MER), ... Authors: Werther, R, Stoddard, B.L. Deposit date: 2025-08-25 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (1.923 Å) Cite: Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges To Be Published
9XY5	One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (26-MER), ... Authors: Werther, R, Stoddard, B.L. Deposit date: 2025-08-25 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.612 Å) Cite: Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges To Be Published
9XY6	One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (26-MER), ... Authors: Werther, R, Stoddard, B.L. Deposit date: 2025-08-25 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.693 Å) Cite: Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges To Be Published
9XY9	One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (26-MER), ... Authors: Werther, R, Stoddard, B.L. Deposit date: 2025-08-25 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (1.995 Å) Cite: Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges To Be Published
9XZT	Crystal structure of BBn6 Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BBn6, SULFATE ION, ... Authors: Bera, A.K, Kim, D, Baker, D. Deposit date: 2025-08-27 Release date: 2025-09-03 Last modified: 2025-10-01 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Parametrically guided design of beta barrels and transmembrane nanopores using deep learning. Proc.Natl.Acad.Sci.USA, 122, 2025
9YIC	Crystal structure of human IL-17A in complex with Compound 1 Descriptor: (3S)-N-[(3-{[(1S)-2-anilino-1-cyclohexyl-2-oxoethyl]carbamoyl}phenyl)methyl]-2,2-dimethylthiomorpholine-3-carboxamide, Interleukin-17A Authors: Armstrong, A.A, Milligan, C.M, Luo, J. Deposit date: 2025-10-01 Release date: 2025-10-15 Method: X-RAY DIFFRACTION (3.15 Å) Cite: A Novel Small Molecule Allosteric Inhibitor of IL-17A From a DNA-Encoded Library Acs Med.Chem.Lett., 2025
9XY2	One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... Authors: Werther, R, Schwensen, J.S, Stoddard, B.L. Deposit date: 2025-08-25 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.402 Å) Cite: Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges To Be Published
9XYA	One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (26-MER), ... Authors: Werther, R, Stoddard, B.L. Deposit date: 2025-08-25 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.303 Å) Cite: Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges To Be Published
9Y12	Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase (GNAT) family protein, ... Authors: Kim, Y, Bigelow, L, Clancy, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2025-08-29 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis To Be Published
9WBT	Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue-3.2A Descriptor: BETA-MERCAPTOETHANOL, Chaperonin GroEL, HEXANE-1,6-DIOL, ... Authors: Guo, Y, Zhang, L, Zheng, H, Li, J, Han, Q. Deposit date: 2025-08-15 Release date: 2025-09-03 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue To Be Published
9WF6	Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue-3.0 A Descriptor: BETA-MERCAPTOETHANOL, Chaperonin GroEL, HEXANE-1,6-DIOL, ... Authors: Guo, Y, Zhang, L, Zheng, H, Li, J, Han, Q. Deposit date: 2025-08-21 Release date: 2025-09-03 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue To Be Published
9VH0	SIRT2-H187A structure in complex with H3K18myr peptide and native NAD Descriptor: Histone H3.1, MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, ... Authors: Zhang, N, Hao, Q. Deposit date: 2025-06-16 Release date: 2025-09-24 Last modified: 2025-10-01 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Structural basis of SIRT2 pre-catalysis NAD + binding dynamics and mechanism. Rsc Chem Biol, 2025
9SQ9	Crystal Structure of the MurT/GatD Enzyme Complex from Streptococcus pyogenes Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Voelpel, S.V, Stehle, T. Deposit date: 2025-09-19 Release date: 2025-10-08 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal Structure of the MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pyogenes To Be Published
9V1K	Cryo- EM structure of small subunit (head) of 75S ribosome with P- tRNA from Entamoeba histolytica Descriptor: 17S rRNA, 40S ribosomal protein S10, putative, ... Authors: Sharma, S, Mishra, S, Gourinath, S, Kaushal, P.S. Deposit date: 2025-05-19 Release date: 2025-10-08 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Cryo-EM structure of ribosome from pathogenic protozoa Entamoeba histolytica reveals unique features of its architecture. Nat Commun, 16, 2025
9RQ1	Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry C08 Descriptor: (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, 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 (1.13 Å) Cite: Room-temperature X-ray fragment screening with serial crystallography. Nat Commun, 16, 2025
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

<1613161416151616161716181619162016211622162316241625162616271628>