4UEO
 
 | | Open state of galactitol-1-phosphate 5-dehydrogenase from E. coli, with zinc in the catalytic site. | | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, 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 (2 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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4UCD
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M81 | | Descriptor: | 1-[(2-chlorophenyl)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 (2.66 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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4UC9
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal dipeptide of the Phosphoprotein | | Descriptor: | ASPARTIC ACID, NUCLEOPROTEIN, PHENYLALANINE, ... | | 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 (2.4 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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4UDP
 | | Crystal structure of 5-hydroxymethylfurfural oxidase (HMFO) in the oxidized state | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE | | Authors: | Dijkman, W, Binda, C, Fraaije, M, Mattevi, A. | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase
Acs Catalysis, 5, 2015
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4UCA
 | | 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 (3.22 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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4UE6
 | | Structure of methylene blue-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: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 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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6LTV
 | | Crystal Structure of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine) | | Descriptor: | MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ... | | Authors: | Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D. | | Deposit date: | 2020-01-23 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4UG3
 | | B. subtilis GpsB N-terminal Domain | | Descriptor: | CELL CYCLE PROTEIN GPSB | | Authors: | Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Moller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S. | | Deposit date: | 2015-03-21 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 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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4UDM
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4UEW
 | | Structure of H2-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: | 2014-12-20 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.08 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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4UC8
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal phenylalanine of the Phosphoprotein | | Descriptor: | GLYCEROL, NUCLEOPROTEIN, PHENYLALANINE, ... | | 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 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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4UEU
 | | Tyrosine kinase AS - a common ancestor of Src and Abl | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | | Deposit date: | 2014-12-18 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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4UJ7
 | | Structure of the S-layer protein SbsC, domains 5-6 | | 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 (1.54 Å) | | Cite: | Structure of the S-Layer Protein Sbsc, Domains 5-6
To be Published
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4UNF
 | | Crystal structure of Deinococcus radiodurans Endonuclease III-1 | | Descriptor: | ACETATE ION, ENDONUCLEASE III-1, IRON/SULFUR CLUSTER, ... | | Authors: | Sarre, A, Okvist, M, Klar, T, Hall, D, Smalas, A.O, McSweeney, S, Timmins, J, Moe, E. | | Deposit date: | 2014-05-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Functional Characterization of Two Unusual Endonuclease III Enzymes from Deinococcus Radiodurans.
J.Struct.Biol., 191, 2015
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4UMQ
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UDR
 | | Crystal structure of the H467A mutant of 5-hydroxymethylfurfural oxidase (HMFO) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE | | Authors: | Dijkman, W, Binda, C, Fraaije, M, Mattevi, A. | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase
Acs Catalysis, 5, 2015
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4UIB
 | | Crystal structure of 3p in complex with tafCPB | | Descriptor: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | Deposit date: | 2015-03-27 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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4UID
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4UIA
 | | Crystal structure of 3a in complex with tafCPB | | Descriptor: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | Deposit date: | 2015-03-27 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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4UIC
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4UCO
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, 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 (2.5 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCS
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, 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 (1.9 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCR
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, 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 (2.15 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UFZ
 | | Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE | | Authors: | Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J. | | Deposit date: | 2015-03-20 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
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4UDQ
 | | Crystal structure of 5-hydroxymethylfurfural oxidase (HMFO) in the reduced state | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE | | Authors: | Dijkman, W, Binda, C, Fraaije, M, Mattevi, A. | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase
Acs Catalysis, 5, 2015
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