2XEY
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2XFL
 | | Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase | | Descriptor: | DYNE7 | | Authors: | Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Sun, H, Bricogne, G, Liang, Z, Lescar, J. | | Deposit date: | 2010-05-26 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis.
J.Mol.Biol., 404, 2010
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8SML
 | | hPAD4 bound to inhibitory Fab hI365 | | Descriptor: | CALCIUM ION, Fab hI365 heavy chain, Fab hI365 light chain, ... | | Authors: | Maker, A, Verba, K.A. | | Deposit date: | 2023-04-26 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Antibody discovery identifies regulatory mechanisms of protein arginine deiminase 4.
Nat.Chem.Biol., 20, 2024
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8R6D
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2XDH
 | | Non-cellulosomal cohesin from the hyperthermophilic archaeon Archaeoglobus fulgidus | | Descriptor: | CHLORIDE ION, COHESIN, MAGNESIUM ION, ... | | Authors: | Voronov-Goldman, M, Lamed, R, Noach, I, Borovok, I, Kwiat, M, Rosenheck, S, Shimon, L.J.W, Bayer, E.A, Frolow, F. | | Deposit date: | 2010-05-02 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Non-Cellulosomal Cohesin from the Hyperthermophilic Archaeon Archaeoglobus Fulgidus
Proteins, 79, 2011
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2XGK
 | | Virus like particle of L172W mutant of Minute Virus of Mice - the immunosuppressive strain | | Descriptor: | COAT PROTEIN VP2 | | Authors: | Plevka, P, Hafenstein, S, Tattersall, P, Cotmore, S, Farr, G, D'Abramo, A, Rossmann, M.G. | | Deposit date: | 2010-06-04 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Structure of a Packaging-Defective Mutant of Minute Virus of Mice Indicates that the Genome is Packaged Via a Pore at a 5-Fold Axis.
J.Virol., 85, 2011
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8R60
 | | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2023-11-19 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide
To Be Published
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2XH3
 | | extracellular nuclease | | Descriptor: | DI(HYDROXYETHYL)ETHER, SPD1 NUCLEASE | | Authors: | Korczynska, J.E, Turkenburg, J.P, Taylor, E.J. | | Deposit date: | 2010-06-08 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The Structural Characterization of a Prophage-Encoded Extracellular DNase from Streptococcus Pyogenes.
Nucleic Acids Res., 40, 2012
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8RXU
 | | Crystal structure of octaheme nitrite reductase from Trichlorobacter ammonificans in space group P21 | | Descriptor: | CALCIUM ION, HEME C, Octaheme nitrite reductase, ... | | Authors: | Polyakov, K.M, Safonova, T.N, Osipov, E, Popov, A.N, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2024-02-08 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.737 Å) | | Cite: | Crystal structure of octaheme nitrite reductase from Trichlorobacter ammonificans in space group P21
To Be Published
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8RQF
 | | Cryo-EM structure of human NTCP-Bulevirtide complex | | Descriptor: | Fab-specific nanobody, Heavy chain of Fab3, Light chain of Fab3, ... | | Authors: | Liu, H, Zakrzewicz, D, Nosol, K, Irobalieva, R.N, Mukherjee, S, Bang-Soerensen, R, Goldmann, N, Kunz, S, Rossi, L, Kossiakoff, A.A, Urban, S, Glebe, D, Geyer, J, Locher, K.P. | | Deposit date: | 2024-01-18 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Cryo-EM structure of human NTCP-Bulevirtide complex
To Be Published
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2XI2
 | | HCV-H77 NS5B Apo Polymerase | | Descriptor: | RNA-directed RNA polymerase, SULFATE ION | | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | | Deposit date: | 2010-06-25 | | Release date: | 2010-08-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
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2XM9
 | | Structure of a small molecule inhibitor with the kinase domain of Chk2 | | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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8RW2
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2XD9
 | | STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid | | Descriptor: | (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Lapthorn, A.J, Castedo, L, Gonzalez-Bello, C. | | Deposit date: | 2010-04-30 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
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2XNC
 | | Crystal structure of an engineered Ferredoxin NADP reductase (FNR) from Pisum sativum | | Descriptor: | FERREDOXIN--NADP REDUCTASE, LEAF ISOZYME, CHLOROPLASTIC, ... | | Authors: | Botti, H, Musumeci, M.A, Ceccarelli, E.A, Buschiazzo, A. | | Deposit date: | 2010-08-02 | | Release date: | 2011-02-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Swapping Fad Binding Motifs between Plastidic and Bacterial Ferredoxin-Nadp(H) Reductases.
Biochemistry, 50, 2011
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5K9K
 | | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ... | | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-05-31 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
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2XFG
 | | Reassembly and co-crystallization of a family 9 processive endoglucanase from separately expressed GH9 and CBM3c modules | | Descriptor: | CALCIUM ION, CHLORIDE ION, ENDOGLUCANASE 1 | | Authors: | Petkun, S, Lamed, R, Jindou, S, Burstein, T, Yaniv, O, Shoham, Y, Shimon, J.W.L, Bayer, E.A, Frolow, F. | | Deposit date: | 2010-05-24 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Reassembly and Co-Crystallization of a Family 9 Processive Endoglucanase from its Component Parts: Structural and Functional Significance of Intermodular Linker
Peerj, 3, 2015
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2XHV
 | | HCV-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form | | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase, SULFATE ION | | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | | Deposit date: | 2010-06-21 | | Release date: | 2010-08-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
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8SNK
 | | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 mutant (MfmA/D188N) | | Descriptor: | ZINC ION, metformin hydrolase subunit A, metformin hydrolase subunit B | | Authors: | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | | Deposit date: | 2023-04-27 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2XP7
 | | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | | Descriptor: | 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | | Deposit date: | 2010-08-25 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
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2XR4
 | | C-terminal domain of BC2L-C Lectin from Burkholderia cenocepacia | | Descriptor: | LECTIN, SULFATE ION | | Authors: | Sulak, O, Cioci, G, Lameignere, E, Delia, M, Wimmerova, M, Imberty, A. | | Deposit date: | 2010-09-09 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Burkholderia Cenocepacia Bc2L-C is a Super Lectin with Dual Specificity and Proinflammatory Activity.
Plos Pathog., 7, 2011
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8SP2
 | | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 apo form | | Descriptor: | NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B | | Authors: | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | | Deposit date: | 2023-05-01 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2XK8
 | | Structure of Nek2 bound to aminopyrazine compound 15 | | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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8R5Z
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2XSH
 | | CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400 IN COMPLEX WITH 2,6 DI CHLOROBIPHENYL | | Descriptor: | 2,6-DICHLOROBIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ... | | Authors: | Kumar, P, Bolin, J.T. | | Deposit date: | 2010-09-29 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
J.Mol.Biol., 405, 2011
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