PDB: 20505 resultsInfo pagesStatus searchChemie searchBIRD

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6US9	Influenza A M2 proton channel wild type TM domain bound to R-rimantadine Descriptor: CHLORIDE ION, Matrix protein 2, RIMANTADINE Authors: Thomaston, J.L, DeGrado, W.F. Deposit date: 2019-10-25 Release date: 2020-10-28 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity. Biochemistry, 2021
4I8X	Crystal structure of rabbit LDHA in complex with AP27460 Descriptor: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain Authors: Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. Deposit date: 2012-12-04 Release date: 2013-01-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
3OBL	Crystal structure of the potent anti-HIV cyanobacterial lectin from Oscillatoria Agardhii Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Lectin Authors: Koharudin, L.M.I, Furey, W, Gronenborn, A.M. Deposit date: 2010-08-06 Release date: 2010-10-20 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Novel fold and carbohydrate specificity of the potent anti-HIV cyanobacterial lectin from Oscillatoria agardhii. J.Biol.Chem., 286, 2011
6UWR	Clostridium difficile binary toxin translocase CDTb in asymmetric tetradecamer conformation Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION Authors: Xu, X, Pozharski, E, des Georges, A. Deposit date: 2019-11-05 Release date: 2020-01-22 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
3O00	Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD-C244S Descriptor: Cell invasion protein sipD, NICKEL (II) ION Authors: Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. Deposit date: 2010-07-18 Release date: 2010-11-17 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
6VBJ	CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE THERMOANAEROBACTER TENGCONGENSIS ENZYME WITH THE ACTIVE SITE LOOPS FROM THE ESCHERICHIA COLI ENZYME Descriptor: Phosphoenolpyruvate-protein phosphotransferase Authors: Stewart Jr, C.E. Deposit date: 2019-12-19 Release date: 2020-06-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I. J.Mol.Biol., 432, 2020
4I9N	Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 Descriptor: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain Authors: Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. Deposit date: 2012-12-05 Release date: 2013-01-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
4IBG	Ebola virus VP35 bound to small molecule Descriptor: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... Authors: Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. Deposit date: 2012-12-08 Release date: 2014-03-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.413 Å) Cite: In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
6UWO	Crystal structure of receptor binding domain 2 from Clostridium difficile translocase CDTb Descriptor: ADP-ribosyltransferase binding component Authors: Pozharski, E. Deposit date: 2019-11-05 Release date: 2020-01-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
3NWV	Human cytochrome c G41S Descriptor: Cytochrome c, HEME C Authors: Fagerlund, R.D, Wilbanks, S.M. Deposit date: 2010-07-11 Release date: 2011-03-09 Last modified: 2019-10-02 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The Proapoptotic G41S Mutation to Human Cytochrome c Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate. J.Am.Chem.Soc., 133, 2011
4IBB	Ebola virus VP35 bound to small molecule Descriptor: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid Authors: Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2012-12-08 Release date: 2014-02-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.752 Å) Cite: In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
4IBD	Ebola virus VP35 bound to small molecule Descriptor: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... Authors: Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. Deposit date: 2012-12-08 Release date: 2014-03-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.84 Å) Cite: In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
6V1N	CSP1-E1A-cyc(Dap6E10) Descriptor: Competence-stimulating peptide type 1 Authors: Yang, Y. Deposit date: 2019-11-20 Release date: 2020-01-08 Last modified: 2020-02-05 Method: SOLUTION NMR Cite: Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae. Proc.Natl.Acad.Sci.USA, 117, 2020
8R3C	Cocrystal form II of the Pent - sulfonato-calix[8]arene complex Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene Authors: Flood, R.J, Crowley, P.B. Deposit date: 2023-11-08 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Multivalent Calixarene Complexation of a Designed Pentameric Lectin. Biomacromolecules, 25, 2024
8AHG	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide Authors: Baker, L.M, Murray, J.B, Hubbard, R.E. Deposit date: 2022-07-21 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.885 Å) Cite: PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
8AHH	PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4 Authors: Baker, L.M, Murray, J.B, Hubbard, R.E. Deposit date: 2022-07-21 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.037 Å) Cite: PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
3NY2	Structure of the ubr-box of UBR2 ubiquitin ligase Descriptor: E3 ubiquitin-protein ligase UBR2, ZINC ION Authors: Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K. Deposit date: 2010-07-14 Release date: 2010-08-11 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Structural basis of substrate recognition and specificity in the N-end rule pathway. Nat.Struct.Mol.Biol., 17, 2010
8AHE	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Descriptor: SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide Authors: Baker, L.M, Murray, J.B, Hubbard, R.E. Deposit date: 2022-07-21 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.108 Å) Cite: PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
8AHF	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Descriptor: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase Authors: Baker, L.M, Murray, J.B, Hubbard, R.E. Deposit date: 2022-07-21 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.271 Å) Cite: PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
8AHI	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide Authors: Baker, L.M, Murray, J.B, Hubbard, R.E. Deposit date: 2022-07-21 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.69 Å) Cite: PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
6V6M	Crystal structure of an inactive state of GMPPNP-bound RhoA Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Lin, Y, Zheng, Y. Deposit date: 2019-12-05 Release date: 2020-12-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6US8	Influenza A M2 proton channel wild type TM domain bound to S-rimantadine Descriptor: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2 Authors: Thomaston, J.L, DeGrado, W.F. Deposit date: 2019-10-25 Release date: 2020-10-28 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity. Biochemistry, 2021
6V6U	Crystal structure of RhoA-GDP with novel Switch I conformation Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Lin, Y, Zheng, Y. Deposit date: 2019-12-06 Release date: 2020-12-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
3NXE	X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease covalent dimer Authors: Torbeev, V.Y, Kent, S.B.H. Deposit date: 2010-07-13 Release date: 2011-11-02 Last modified: 2012-12-12 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3NY3	Structure of the ubr-box of UBR2 in complex with N-degron Descriptor: E3 ubiquitin-protein ligase UBR2, N-degron, ZINC ION Authors: Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K. Deposit date: 2010-07-14 Release date: 2010-08-11 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural basis of substrate recognition and specificity in the N-end rule pathway. Nat.Struct.Mol.Biol., 17, 2010

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