6HBU
 
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-07 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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1CQ6
 | | ASPARTATE AMINOTRANSFERASE COMPLEX WITH C4-PYRIDOXAL-5P-PHOSPHATE | | Descriptor: | 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ASPARTATE AMINOTRANSFERASE | | Authors: | Ishijima, J, Nakai, T, Kawaguchi, S, Hirotsu, K, Kuramitsu, S. | | Deposit date: | 1999-08-06 | | Release date: | 2000-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Free energy requirement for domain movement of an enzyme
J.Biol.Chem., 275, 2000
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5M4W
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2VWJ
 | | Uracil Recognition in Archaeal DNA Polymerases Captured by X-ray Crystallography. | | Descriptor: | 5'-D(*AP*AP*UP*GP*GP*AP*GP*AP*CP*GP *GP*CP*TP*TP*TP*TP*GP*CP*CP*GP*TP*GP*TP*C)-3', DNA POLYMERASE, POTASSIUM ION | | Authors: | Firbank, S.J, Wardle, J, Heslop, P, Lewis, R.J, Connolly, B.A. | | Deposit date: | 2008-06-25 | | Release date: | 2008-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Uracil Recognition in Archaeal DNA Polymerases Captured by X-Ray Crystallography.
J.Mol.Biol., 381, 2008
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6HCO
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to estrone 3-sulfate and 5D3-Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-08-15 | | Release date: | 2018-11-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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2W2N
 | | WT PCSK9-deltaC bound to EGF-A H306Y mutant of LDLR | | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | | Deposit date: | 2008-11-03 | | Release date: | 2008-11-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants.
J.Biol.Chem., 284, 2009
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5LFI
 | | lactococcin A immunity protein | | Descriptor: | Lactococcin-A immunity protein | | Authors: | Persson, C, Fuochi, V, Pedersen, A, Karlsson, B.G, Nissen-Meyer, J, Kristiansen, P.E, Oppegard, C. | | Deposit date: | 2016-07-01 | | Release date: | 2016-11-16 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Structure and Mutational Analysis of the Lactococcin A Immunity Protein.
Biochemistry, 55, 2016
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5N7V
 | | TTK kinase domain in complex with MPI-0479605 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine | | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R. | | Deposit date: | 2017-02-21 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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2O3X
 | | Crystal Structure of the Prokaryotic Ribosomal Decoding Site Complexed with Paromamine Derivative NB30 | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]-3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3') | | Authors: | Kondo, J, Hainrichson, M, Nudelman, I, Shallom-Shezifi, D, Baasov, T, Westhof, E. | | Deposit date: | 2006-12-02 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential Selectivity of Natural and Synthetic Aminoglycosides towards the Eukaryotic and Prokaryotic Decoding A Sites.
Chembiochem, 8, 2007
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5LME
 | | Specific-DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase | | Descriptor: | ZINC ION, piggyBac transposase | | Authors: | Morellet, N, Taylor, J.A, Wieninger, S, Moriau, S, Li, X, Lescop, E, Mathy, N, Bischerour, J, Betermier, M, Bardiaux, B, Nilges, M, Craig, N.L, Hickman, A.B, Dyda, F, Guittet, E. | | Deposit date: | 2016-07-30 | | Release date: | 2017-12-20 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Sequence-specific DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase.
Nucleic Acids Res., 46, 2018
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5LKN
 | | NMR solution structure of human FNIII domain 2 of NCAM | | Descriptor: | Neural cell adhesion molecule 1 | | Authors: | Slapsak, U, Salzano, G, Amin, L, Abskharon, R.N.N, Ilc, G, Zupancic, B, Biljan, I, Plavec, J, Giachin, G, Legname, G. | | Deposit date: | 2016-07-22 | | Release date: | 2016-09-14 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The N Terminus of the Prion Protein Mediates Functional Interactions with the Neuronal Cell Adhesion Molecule (NCAM) Fibronectin Domain.
J.Biol.Chem., 291, 2016
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2XAE
 | | Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid | | Descriptor: | (2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Tkocz, K, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F. | | Deposit date: | 2010-03-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
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5M5T
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5M5R
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2WQY
 | | Remodelling of carboxin binding to the Q-site of avian respiratory complex II | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ... | | Authors: | Ruprecht, J, Iwata, S, Cecchini, G. | | Deposit date: | 2009-08-27 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Remodelling of Carboxin Binding to the Q-Site of Avian Respiratory Complex II
To be Published
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4CTA
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2X56
 | | Yersinia Pestis Plasminogen Activator Pla (Native) | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, COAGULASE/FIBRINOLYSIN | | Authors: | Eren, E, Murphy, M, Goguen, J, van den Berg, B. | | Deposit date: | 2010-02-05 | | Release date: | 2010-07-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An Active Site Water Network in the Plasminogen Activator Pla from Yersinia Pestis
Structure, 18, 2010
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5MJG
 | | Single-shot pink beam serial crystallography: Thaumatin | | Descriptor: | S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1 | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | | Deposit date: | 2016-12-01 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Single-shot pink beam serial crystallography: Thaumatin
To Be Published
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2WR2
 | | structure of influenza H2 avian hemagglutinin with avian receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2009-08-29 | | Release date: | 2009-09-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
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5MMR
 | | Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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5MN7
 | | S. aureus FtsZ 12-316 F138A GTP Closed form (3FCm) | | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J. | | Deposit date: | 2016-12-12 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments.
MBio, 8, 2017
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2WVU
 | | Crystal structure of a Michaelis complex of alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron with the synthetic substrate 4- nitrophenyl-alpha-L-fucose | | Descriptor: | 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, ALPHA-L-FUCOSIDASE, SULFATE ION | | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
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6HUZ
 | | HmdII from Desulfurobacterium thermolithotrophum reconstituted with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydrofolate form B | | Descriptor: | 1,2-ETHANEDIOL, 5,10-Methenyltetrahydrofolate, Coenzyme F420-dependent N(5),N(10)-methenyltetrahydromethanopterin reductase-related protein, ... | | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
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5MNE
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5MNN
 | | Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.859 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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