6Z08
| Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol | Descriptor: | P-NITROPHENOL, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2020-05-08 | Release date: | 2020-12-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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2XU8
| Structure of Pa1645 | Descriptor: | PA1645, SULFATE ION | Authors: | Abdelli, W.B, Moynie, L, McMahon, S.A, Liu, H, Alphey, M.S, Naismith, J.H. | Deposit date: | 2010-10-15 | Release date: | 2010-12-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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2Y6K
| Xylotetraose bound to X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | Descriptor: | CALCIUM ION, CITRIC ACID, XYLANASE, ... | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2011-01-24 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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2YIL
| Crystal Structure of Parasite Sarcocystis muris Lectin SML-2 | Descriptor: | CHLORIDE ION, GLYCEROL, MICRONEME ANTIGEN L2, ... | Authors: | Mueller, J.J, Weiss, M.S, Heinemann, U. | Deposit date: | 2011-05-16 | Release date: | 2011-11-02 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose. Acta Crystallogr.,Sect.D, D67, 2011
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5JTS
| Structure of a beta-1,4-mannanase, SsGH134. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | Deposit date: | 2016-05-09 | Release date: | 2016-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism. ACS Cent Sci, 2, 2016
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6ZF9
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4 | Descriptor: | 1,2-ETHANEDIOL, 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, Bromodomain-containing protein 4 | Authors: | Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-16 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4 To Be Published
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5HTY
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6ZFW
| X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14 | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ... | Authors: | Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P. | Deposit date: | 2020-06-18 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data. Chem.Commun.(Camb.), 56, 2020
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6GGH
| Human jak1 kinase domain in complex with inhibitor | Descriptor: | Tyrosine-protein kinase JAK1, ~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide | Authors: | Read, J.A, Augustin, M, Lammens, A. | Deposit date: | 2018-05-03 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of local lung inflammation by a potent and selective JAK1 inhibitor; activation of JAK1, but not JAK3, is critical to IL-4R mediated immune cell signalling To Be Published
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2ZJ4
| Isomerase domain of human glucose:fructose-6-phosphate amidotransferase | Descriptor: | 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1 | Authors: | Nakaishi, Y, Bando, M, Kondo, K, Tsuge, H. | Deposit date: | 2008-02-29 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis of human glutamine:fructose-6-phosphate amidotransferase, a key regulator in type 2 diabetes Febs Lett., 583, 2009
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6ZI1
| Crystal structure of the isolated H. influenzae VapD toxin (D7N mutant) | Descriptor: | Endoribonuclease VapD | Authors: | Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E. | Deposit date: | 2020-06-24 | Release date: | 2020-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System. Structure, 29, 2021
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1JH3
| Solution structure of tyrosyl-tRNA synthetase C-terminal domain. | Descriptor: | TYROSYL-TRNA SYNTHETASE | Authors: | Guijarro, J.I, Pintar, A, Prochnicka-Chalufour, A, Guez, V, Gilquin, B, Bedouelle, H, Delepierre, M. | Deposit date: | 2001-06-27 | Release date: | 2002-03-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and Dynamics of the Anticodon Arm Binding Domain of Bacillus stearothermophilus
Tyrosyl-tRNA Synthetase Structure, 10, 2002
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6YTV
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2ZPH
| Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 340min at 293K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, MAGNESIUM ION, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-11 | Release date: | 2008-10-21 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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6YU2
| Crystal structure of MhsT in complex with L-isoleucine | Descriptor: | ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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2ZJU
| Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, Acetylcholine-binding protein | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | Deposit date: | 2008-03-10 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin Invert.Neurosci., 8, 2008
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5HXV
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2ZKD
| Crystal structure of the SRA domain of mouse Np95 in complex with hemi-methylated CpG DNA | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*DCP*DTP*DAP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DGP*DC)-3'), ... | Authors: | Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M. | Deposit date: | 2008-03-19 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism Nature, 455, 2008
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2ZL1
| MP1-p14 Scaffolding complex | Descriptor: | Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein | Authors: | Schrag, J.D, Cygler, M, Munger, C, Magloire, A. | Deposit date: | 2008-04-02 | Release date: | 2008-06-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex. J.Mol.Biol., 379, 2008
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2ON5
| Structure of NaGST-2 | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Na Glutathione S-transferase 2 | Authors: | Asojo, O.A, Ngamelue, M, Homma, H, Goud, G, Zhan, B, Hotez, P.J. | Deposit date: | 2007-01-23 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of Na-GST-1 and Na-GST-2 two glutathione s-transferase from the human hookworm Necator americanus Bmc Struct.Biol., 7, 2007
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5H6T
| Crystal structure of Hydrazidase from Microbacterium sp. strain HM58-2 | Descriptor: | Amidase | Authors: | Akiyama, T, Ishii, M, Takuwa, A, Oinuma, K, Sasaki, Y, Takaya, N, Yajima, S. | Deposit date: | 2016-11-15 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of the substrate recognition of hydrazidase isolated from Microbacterium sp. strain HM58-2, which catalyzes acylhydrazide compounds as its sole carbon source Biochem. Biophys. Res. Commun., 482, 2017
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2ZUR
| Crystal Structure of Rh(nbd)/apo-Fr | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | Authors: | Abe, S, Hirata, K, Ueno, T, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y. | Deposit date: | 2008-10-28 | Release date: | 2009-06-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Polymerization of phenylacetylene by rhodium complexes within a discrete space of apo-ferritin J.Am.Chem.Soc., 131, 2009
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5H7L
| Complex of Elongation factor 2-50S ribosomal protein L12 | Descriptor: | 50S ribosomal protein L12, Elongation factor 2, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Tanzawa, T, Kato, K, Uchiumi, T, Yao, M. | Deposit date: | 2016-11-18 | Release date: | 2018-02-21 | Last modified: | 2018-05-02 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The C-terminal helix of ribosomal P stalk recognizes a hydrophobic groove of elongation factor 2 in a novel fashion Nucleic Acids Res., 46, 2018
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8OHZ
| Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep1) | Descriptor: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | Deposit date: | 2023-03-21 | Release date: | 2023-12-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide. Angew.Chem.Int.Ed.Engl., 63, 2024
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6YU3
| Crystal structure of MhsT in complex with L-phenylalanine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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