6ESN
 
 | | Ligand complex of RORg LBD | | Descriptor: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2017-10-23 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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6F2M
 | | Structure of the bacteriophage T5 distal tail protein pb9 co-crystallized with 10mM Tb-Xo4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Distal tail protein, ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Breyton, C, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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6FDR
 | | 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT 100K, NA DITHIONITE REDUCED AT PH 8.5, RESOLUTION 1.4 A | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I) | | Authors: | Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D. | | Deposit date: | 1998-12-11 | | Release date: | 1998-12-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
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6F59
 | | Crystal structure of human Brachyury (T) G177D variant in complex with DNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Brachyury protein, DNA (26-MER), ... | | Authors: | Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-12-01 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Crystal structure of human Brachyury (T) G177D variant in complex with DNA
To Be Published
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6ETT
 | | Crystal structure of KDM4D with tetrazole compound 4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-10-27 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.257 Å) | | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETV
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6F1P
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6ETU
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 7 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-10-27 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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3WPC
 | | Crystal structure of horse TLR9 in complex with agonistic DNA1668_12mer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*CP*AP*TP*GP*AP*CP*GP*TP*TP*CP*CP*T)-3'), ... | | Authors: | Ohto, U, Tanji, H, Shimizu, T. | | Deposit date: | 2014-01-11 | | Release date: | 2015-02-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
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7WNP
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6ETZ
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB | | Descriptor: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | | Authors: | Rutkiewicz-Krotewicz, M, Bujacz, A, Bujacz, G. | | Deposit date: | 2017-10-27 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted Beta-D-Galactosidases: Crystal Structure of BetaDG from Arthrobacter sp. 32cB
Crystals, 8, 2018
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6F2J
 | | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM sodium sulfate | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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6FI4
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 3.2e with 14-3-3sigma | | Descriptor: | (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | | Deposit date: | 2018-01-17 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
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3WZ1
 | | Catalytic domain of beta-agarase from Microbulbifer thermotolerans JAMB-A94 | | Descriptor: | Agarase, GLYCEROL, SODIUM ION | | Authors: | Takagi, E, Hatada, Y, Akita, M, Ohta, Y, Yokoi, G, Miyazaki, T, Nishikawa, A, Tonozuka, T. | | Deposit date: | 2014-09-12 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the catalytic domain of a GH16 beta-agarase from a deep-sea bacterium, Microbulbifer thermotolerans JAMB-A94
Biosci.Biotechnol.Biochem., 79, 2015
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3X3Y
 | | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by histamine | | Descriptor: | COPPER (II) ION, GLYCEROL, POTASSIUM ION, ... | | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | | Deposit date: | 2015-03-10 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
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6EZF
 | | PDE2 in complex with molecule 5 | | Descriptor: | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Tresadern, G, Perez-Benito, L, Keraenen, H, van Vlijmen, H. | | Deposit date: | 2017-11-15 | | Release date: | 2018-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation.
Sci Rep, 8, 2018
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3ZLS
 | | Crystal structure of MEK1 in complex with fragment 6 | | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | | Deposit date: | 2013-02-04 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
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6F58
 | | Crystal structure of human Brachyury (T) in complex with DNA | | Descriptor: | Brachyury protein, DNA (5'-D(*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*TP*T)-3'), SODIUM ION | | Authors: | Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-12-01 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Crystal structure of human Brachyury (T) in complex with DNA
To Be Published
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6ETG
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 6 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-10-26 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.279 Å) | | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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3BEQ
 | | Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Xu, X, Zhu, X, Wilson, I.A. | | Deposit date: | 2007-11-19 | | Release date: | 2008-09-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
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6F1R
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3UMJ
 | | Crystal Structure of D311E Lipase | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ruslan, R, Rahman, R.N.Z.R.A, Leow, T.C, Ali, M.S.M, Basri, M, Salleh, A.B. | | Deposit date: | 2011-11-13 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improvement of Thermal Stability via Outer-Loop Ion Pair Interaction of Mutated T1 Lipase from Geobacillus zalihae Strain T1
Int J Mol Sci, 13, 2012
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6F4U
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3UPQ
 | | Crystal structure of the pre-catalytic ternary complex of polymerase lambda with an rATP analog opposite a templating T. | | Descriptor: | 5'-D(*CP*AP*GP*TP*AP*C)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ... | | Authors: | Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2011-11-18 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda
Nucleic Acids Res., 40, 2012
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6F7W
 | | Crystal structure of dimethylated RSL - cucurbit[7]uril complex, C2221 Form | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | | Authors: | Guagnini, F, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2017-12-12 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Cucurbit[7]uril-Dimethyllysine Recognition in a Model Protein.
Angew. Chem. Int. Ed. Engl., 57, 2018
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