8UTE
 
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-31 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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1KFK
 | | Crystal structure of Tryptophan Synthase From Salmonella Typhimurium | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... | | Authors: | Kulik, V, Weyand, M, Seidel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2001-11-21 | | Release date: | 2003-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | On the role of alphaThr183 in the allosteric regulation and catalytic mechanism of tryptophan synthase.
J.Mol.Biol., 324, 2002
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8UB3
 | | DpHF7 filament | | Descriptor: | DpHF7 filament | | Authors: | Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D. | | Deposit date: | 2023-09-22 | | Release date: | 2024-04-10 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 19, 2024
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1KFC
 | | CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate | | Descriptor: | INDOLE-3-PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2001-11-20 | | Release date: | 2003-01-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | On the Role of AlphaTHR183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase
J.Mol.Biol., 324, 2002
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1KFE
 | | CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH L-Ser Bound To The Beta Site | | Descriptor: | SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, TRYPTOPHAN SYNTHASE BETA CHAIN, ... | | Authors: | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2001-11-20 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | On the Role of AlphaTHR183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase
J.Mol.Biol., 324, 2002
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1KV6
 | | X-ray structure of the orphan nuclear receptor ERR3 ligand-binding domain in the constitutively active conformation | | Descriptor: | ESTROGEN-RELATED RECEPTOR GAMMA, steroid receptor coactivator 1 | | Authors: | Greschik, H, Wurtz, J.-M, Sanglier, S, Bourguet, W, van Dorsselaer, A, Moras, D, Renaud, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-01-25 | | Release date: | 2003-01-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Functional Evidence for Ligand-Independent Transcriptional Activation by the Estrogen-Related Receptor 3
Mol.Cell, 9, 2002
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1KHM
 | | C-TERMINAL KH DOMAIN OF HNRNP K (KH3) | | Descriptor: | PROTEIN (HNRNP K) | | Authors: | Baber, J, Libutti, D, Levens, D, Tjandra, N. | | Deposit date: | 1999-01-07 | | Release date: | 2000-01-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | High precision solution structure of the C-terminal KH domain of heterogeneous nuclear ribonucleoprotein K, a c-myc transcription factor.
J.Mol.Biol., 289, 1999
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1KKD
 | | Solution structure of the calmodulin binding domain (CaMBD) of small conductance Ca2+-activated potassium channels (SK2) | | Descriptor: | Small conductance calcium-activated potassium channel protein 2 | | Authors: | Wissmann, R, Bildl, W, Neumann, H, Rivard, A.F, Kloecker, N, Weitz, D, Schulte, U, Adelman, J.P, Bentrop, D, Fakler, B. | | Deposit date: | 2001-12-07 | | Release date: | 2001-12-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A helical region in the C terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin.
J.Biol.Chem., 277, 2002
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1J6Y
 | | Solution structure of Pin1At from Arabidopsis thaliana | | Descriptor: | peptidyl-prolyl cis-trans isomerase | | Authors: | Landrieu, I, Wieruszeski, J.M, Wintjens, R, Inze, D, Lippens, G. | | Deposit date: | 2001-05-15 | | Release date: | 2002-08-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the
Single-domain Prolyl Cis/Trans
Isomerase PIN1At from Arabidopsis thaliana
J.Mol.Biol., 320, 2002
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1HLW
 | | STRUCTURE OF THE H122A MUTANT OF THE NUCLEOSIDE DIPHOSPHATE KINASE | | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | | Authors: | Admiraal, S.J, Meyer, P, Schneider, B, Deville-Bonne, D, Janin, J, Herschlag, D. | | Deposit date: | 2000-12-04 | | Release date: | 2001-02-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chemical rescue of phosphoryl transfer in a cavity mutant: a cautionary tale for site-directed mutagenesis.
Biochemistry, 40, 2001
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1KZN
 | | Crystal Structure of E. coli 24kDa Domain in Complex with Clorobiocin | | Descriptor: | CLOROBIOCIN, DNA GYRASE SUBUNIT B | | Authors: | Lafitte, D, Lamour, V, Tsvetkov, P.O, Makarov, A.A, Klich, M, Deprez, P, Moras, D, Briand, C, Gilli, R. | | Deposit date: | 2002-02-07 | | Release date: | 2002-06-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose.
Biochemistry, 41, 2002
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1LS4
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1LQT
 | | A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase | | Descriptor: | 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bossi, R.T, Aliverti, A, Raimondi, D, Fischer, F, Zanetti, G, Ferrari, D, Tahallah, N, Maier, C.S, Heck, A.J.R, Rizzi, M, Mattevi, A, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-05-13 | | Release date: | 2002-07-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase.
Biochemistry, 41, 2002
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1YZ1
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3BWJ
 | | Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 | | Descriptor: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide, cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Lavogina, D, Koenig, N, Uri, A, Bossemeyer, D. | | Deposit date: | 2008-01-09 | | Release date: | 2009-02-03 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.
J.Med.Chem., 52, 2009
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1PSH
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5FRG
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5C94
 | | Infectious bronchitis virus nsp9 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9 | | Authors: | Chen, C, Dou, Y, Yang, H, Su, D. | | Deposit date: | 2015-06-26 | | Release date: | 2016-06-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.438 Å) | | Cite: | Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9.
Protein Sci., 26, 2017
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1R0Q
 | | Characterization of the conversion of the malformed, recombinant cytochrome rc552 to a 2-formyl-4-vinyl (Spirographis) heme | | Descriptor: | 2-FORMYL-PROTOPORPHRYN IX, Cytochrome c-552 | | Authors: | Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A. | | Deposit date: | 2003-09-22 | | Release date: | 2004-09-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
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4XDS
 | | Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, NICKEL (II) ION, SULFATE ION | | Authors: | Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M. | | Deposit date: | 2014-12-19 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.354 Å) | | Cite: | Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
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5YPS
 | | The structural basis of histone chaperoneVps75 | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D. | | Deposit date: | 2017-11-03 | | Release date: | 2018-11-07 | | Last modified: | 2020-06-10 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
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1QYZ
 | | Characterization of the malformed, recombinant cytochrome rC552 | | Descriptor: | 2-ACETYL-PROTOPORPHYRIN IX, Cytochrome c-552 | | Authors: | Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A. | | Deposit date: | 2003-09-12 | | Release date: | 2004-09-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | Deposit date: | 2018-02-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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7ZJP
 | | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | | Deposit date: | 2022-04-11 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
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1SGK
 | | NUCLEOTIDE-FREE DIPHTHERIA TOXIN | | Descriptor: | DIPHTHERIA TOXIN (DIMERIC) | | Authors: | Bell, C.E, Eisenberg, D. | | Deposit date: | 1996-09-12 | | Release date: | 1996-12-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of nucleotide-free diphtheria toxin.
Biochemistry, 36, 1997
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