PDB: 223790 resultsInfo pagesStatus searchChemie searchBIRD

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8S01	A fragment-based inhibitor of SHP2 Descriptor: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0O	A fragment-based inhibitor of SHP2 Descriptor: 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.834 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
5WHM	Crystal Structure of IclR Family Transcriptional Regulator from Brucella abortus Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... Authors: Kim, Y, Wu, R, Tesar, C, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2017-07-17 Release date: 2017-08-23 Last modified: 2019-11-27 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Molecular control of gene expression byBrucellaBaaR, an IclR-type transcriptional repressor. J. Biol. Chem., 293, 2018
8SR6	Crystal structure of legAS4 from Legionella pneumophila subsp. pneumophila with histone H3 (3-17)peptide Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Eukaryotic huntingtin interacting protein B, ... Authors: Xu, C, Chung, I.Y.W, Cygler, M. Deposit date: 2023-05-05 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Histone methyltransferase activity of the secreted Legionella pneumophila SET-domain effector RomA/LegAS4 depends on its ankyrin domain To Be Published
8SM8	Air-oxidized A. ca TruffO expressed from M9 minimal medium supplemented with Fe Descriptor: FE (III) ION, MAGNESIUM ION, Putative amidohydrolase, ... Authors: Liu, C, Rittle, J. Deposit date: 2023-04-25 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Bioinformatic Discovery of a Cambialistic Monooxygenase. J.Am.Chem.Soc., 146, 2024
8S07	A fragment-based inhibitor of SHP2 Descriptor: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0I	A fragment-based inhibitor of SHP2 Descriptor: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.929 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8SD7	Carbonic anhydrase II radiation damage RT 61-90 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Combs, J.E, Mckenna, R. Deposit date: 2023-04-06 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.704 Å) Cite: XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SM9	Air-oxidized C. fi TruffO expressed from M9 minimal medium supplemented with Fe Descriptor: Amidohydrolase 2, FE (III) ION Authors: Liu, C, Rittle, J. Deposit date: 2023-04-25 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Bioinformatic Discovery of a Cambialistic Monooxygenase. J.Am.Chem.Soc., 146, 2024
6X5R	Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A2-Asn Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A2-Asn, ... Authors: Kadirvelraj, R, Wood, Z.A. Deposit date: 2020-05-26 Release date: 2020-10-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases. J.Biol.Chem., 295, 2020
8SCA	Rec3 Domain from S. pyogenes Cas9 Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 Authors: D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. Deposit date: 2023-04-05 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.67 Å) Cite: High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9. Sci Adv, 10, 2024
8SNZ	X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin Authors: Ansari, A, Khan, S.A, Miller, A.F. Deposit date: 2023-04-28 Release date: 2024-03-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Structure, dynamics, and redox reactivity of an all-purpose flavodoxin. J.Biol.Chem., 300, 2024
8SMA	SfbO with di-Manganese cofactor Descriptor: Amidohydrolase family protein, MANGANESE (II) ION, SULFATE ION Authors: Liu, C, Rittle, J. Deposit date: 2023-04-25 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Bioinformatic Discovery of a Cambialistic Monooxygenase. J.Am.Chem.Soc., 146, 2024
8S0Q	A fragment-based inhibitor of SHP2 Descriptor: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.872 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8T0Z	Human liver-type glutaminase (K253A) with L-Gln, filamentous form Descriptor: GLUTAMINE, Glutaminase liver isoform, mitochondrial Authors: Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A. Deposit date: 2023-06-01 Release date: 2024-03-13 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Filament formation drives catalysis by glutaminase enzymes important in cancer progression. Nat Commun, 15, 2024
8S4G	Cryo-EM structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 at 3.2 Angstrom resolution Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... Authors: Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. Deposit date: 2024-02-21 Release date: 2024-03-13 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: New structural features of the APC/C revealed by high resolution cryo-EM structures of apo-APC/C and the APC/C-CDH1-EMI1 complex To Be Published
8SD6	Carbonic anhydrase II radiation damage RT 31-60 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Combs, J.E, Mckenna, R. Deposit date: 2023-04-06 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.397 Å) Cite: XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SD9	Carbonic anhydrase II radiation damage RT 121-150 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Combs, J.E, Mckenna, R. Deposit date: 2023-04-06 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.904 Å) Cite: XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SD1	Carbonic anhydrase II radiation damage RT 1-30 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Combs, J.C, Mckenna, R. Deposit date: 2023-04-06 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.298 Å) Cite: XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SF1	Carbonic anhydrase II XFEL radiation damage RT Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Combs, J.E, Mckenna, R. Deposit date: 2023-04-10 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
5WQJ	Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1 Descriptor: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase Authors: Suwanai, Y, Toma-Fukai, S, Shimizu, T. Deposit date: 2016-11-27 Release date: 2017-09-06 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide Sci Rep, 7, 2017
8SZL	Human liver-type glutaminase (Apo form) Descriptor: Glutaminase liver isoform, mitochondrial Authors: Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A. Deposit date: 2023-05-30 Release date: 2024-03-13 Method: ELECTRON MICROSCOPY (3.12 Å) Cite: Filament formation drives catalysis by glutaminase enzymes important in cancer progression. Nat Commun, 15, 2024
5WQ9	CryoEM structure of type II secretion system secretin GspD G453A mutant in Vibrio cholerae Descriptor: Type II secretion system protein D Authors: Yan, Z, Yin, M, Li, X. Deposit date: 2016-11-23 Release date: 2016-12-28 Last modified: 2017-02-22 Method: ELECTRON MICROSCOPY (4.22 Å) Cite: Structural insights into the secretin translocation channel in the type II secretion system Nat. Struct. Mol. Biol., 24, 2017
8RZY	A fragment-based inhibitor of SHP2 Descriptor: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
5A2Q	Structure of the HCV IRES bound to the human ribosome Descriptor: 18S RRNA, HCV IRES, MAGNESIUM ION, ... Authors: Quade, N, Leiundgut, M, Boehringer, D, Heuvel, J.v.d, Ban, N. Deposit date: 2015-05-21 Release date: 2015-07-15 Last modified: 2019-12-18 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Cryo-Em Structure of Hepatitis C Virus Ires Bound to the Human Ribosome at 3.9 Angstrom Resolution Nat.Commun., 6, 2015

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