4UCI
 
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | ADENOSINE, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-03 | | Release date: | 2015-10-14 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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4UCT
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UM1
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 | | Descriptor: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN | | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | Deposit date: | 2014-05-14 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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4UQ6
 | | Electron density map of GluA2em in complex with LY451646 and glutamate | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-20 | | Release date: | 2014-08-13 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (12.8 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
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7CXA
 | | Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group. | | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, A. | | Deposit date: | 2020-09-01 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
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7CXC
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4UCV
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UJC
 | | mammalian 80S HCV-IRES initiation complex with eIF5B POST-like state | | Descriptor: | 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES1, ... | | Authors: | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-30 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | Structure of the Mammalian 80S Initiation Complex with Initiation Factor 5B on Hcv-Ires RNA.
Nat.Struct.Mol.Biol., 21, 2014
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7CXB
 | | Structure of mouse Galectin-3 CRD in complex with TD-139 belonging to P6522 space group. | | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, A. | | Deposit date: | 2020-09-01 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
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4UHQ
 | | Crystal structure of the pyocin AP41 DNase | | Descriptor: | CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION | | Authors: | Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C. | | Deposit date: | 2015-03-25 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
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4UOB
 | | Crystal structure of Deinococcus radiodurans Endonuclease III-3 | | Descriptor: | ACETATE ION, COBALT (II) ION, ENDONUCLEASE III-3, ... | | Authors: | Sarre, A, Okvist, M, Klar, T, Hall, D, Smalas, A.O, McSweeney, S, Timmins, J, Moe, E. | | Deposit date: | 2014-06-02 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural and Functional Characterization of Two Unusual Endonuclease III Enzymes from Deinococcus Radiodurans.
J.Struct.Biol., 191, 2015
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4UN5
 | | Crystal structure of Cas9 bound to PAM-containing DNA target containing mismatches at positions 1-3 | | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | Authors: | Anders, C, Niewoehner, O, Duerst, A, Jinek, M. | | Deposit date: | 2014-05-25 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
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4UN4
 | | Crystal structure of Cas9 bound to PAM-containing DNA target with mismatches at positions 1-2 | | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | Authors: | Anders, C, Niewoehner, O, Duerst, A, Jinek, M. | | Deposit date: | 2014-05-25 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
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4UQC
 | | X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum at 1.30 A resolution | | Descriptor: | CARBOHYDRATE BINDING FAMILY 6, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ... | | Authors: | Freire, F, Verma, A.K, Goyal, A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-06-22 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
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4UJ8
 | | Structure of surface layer protein SbsC, domains 6-7 | | Descriptor: | CALCIUM ION, SURFACE LAYER PROTEIN | | Authors: | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | | Deposit date: | 2015-04-08 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Surface Layer Protein Sbsc
To be Published
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4UCE
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M72 | | Descriptor: | 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
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4UCC
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M76 | | Descriptor: | 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
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4UG1
 | | GpsB N-terminal domain | | Descriptor: | CELL CYCLE PROTEIN GPSB, IMIDAZOLE, NICKEL (II) ION | | Authors: | Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Muller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S. | | Deposit date: | 2015-03-20 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins.
Mol.Microbiol., 99, 2016
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4UD6
 | | Structure of methylviologen-treated anaerobically purified D. fructosovorans NiFe-hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-08 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | [NiFe]-hydrogenases revisited: nickel-carboxamido bond formation in a variant with accrued O2-tolerance and a tentative re-interpretation of Ni-SI states.
Metallomics, 7, 2015
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4UEQ
 | | Structure of the V74C large subunit mutant of D. fructosovorans NiFe- hydrogenase | | Descriptor: | CALCIUM ION, CARBONATE ION, CARBONMONOXIDE-(DICYANO) IRON, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-18 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | [NiFe]-hydrogenases revisited: nickel-carboxamido bond formation in a variant with accrued O2-tolerance and a tentative re-interpretation of Ni-SI states.
Metallomics, 7, 2015
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4UC6
 | | N-terminal globular domain of the RSV Nucleoprotein | | Descriptor: | NUCLEOPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
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4UC7
 | | N-terminal globular domain of the RSV Nucleoprotein | | Descriptor: | NUCLEOPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
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4UEJ
 | | Closed state of galactitol-1-phosphate 5-dehydrogenase from E. coli in complex with glycerol. | | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, GLYCEROL, ZINC ION | | Authors: | Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2014-12-18 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
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4UCB
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein | | Descriptor: | NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
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4WZV
 | | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | | Descriptor: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | Deposit date: | 2014-11-20 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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