5QK3
 
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z239136710 | | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | Deposit date: | 2018-10-31 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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1KSN
 | | Crystal Structure of Human Coagulation Factor XA Complexed with FXV673 | | Descriptor: | CALCIUM ION, COAGULATION FACTOR XA, METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-01-14 | | Release date: | 2002-06-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimization of the beta-aminoester class of factor Xa inhibitors. Part 2: Identification of FXV673 as a potent and selective inhibitor with excellent In vivo anticoagulant activity.
Bioorg.Med.Chem.Lett., 12, 2002
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1MHJ
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1URC
 | | Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR | | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | Deposit date: | 2003-10-28 | | Release date: | 2003-10-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes.
Org. Biomol. Chem., 2, 2004
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1KTA
 | | HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE : THREE DIMENSIONAL STRUCTURE OF THE ENZYME IN ITS PYRIDOXAMINE PHOSPHATE FORM. | | Descriptor: | 3-METHYL-2-OXOBUTANOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ACETIC ACID, ... | | Authors: | Yennawar, N.H, Conway, M.E, Yennawar, H.P, Farber, G.K, Hutson, S.M. | | Deposit date: | 2002-01-15 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms
Biochemistry, 41, 2002
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2PFU
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3HOC
 | | Structure of the actin-binding domain of human filamin A mutant E254K | | Descriptor: | Filamin-A, PHOSPHATE ION | | Authors: | Clark, A.R, Sawyer, G.M, Robertson, S.P, Sutherland-Smith, A.J. | | Deposit date: | 2009-06-02 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Skeletal dysplasias due to filamin A mutations result from a gain-of-function mechanism distinct from allelic neurological disorders
Hum.Mol.Genet., 18, 2009
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2PGZ
 | | Crystal structure of Cocaine bound to an ACh-Binding Protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COCAINE, Soluble acetylcholine receptor, ... | | Authors: | Hansen, S.B, Taylor, P. | | Deposit date: | 2007-04-10 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Galanthamine and non-competitive inhibitor binding to ACh-binding protein: evidence for a binding site on non-alpha-subunit interfaces of heteromeric neuronal nicotinic receptors.
J.Mol.Biol., 369, 2007
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1KTZ
 | | Crystal Structure of the Human TGF-beta Type II Receptor Extracellular Domain in Complex with TGF-beta3 | | Descriptor: | TGF-beta Type II Receptor, TRANSFORMING GROWTH FACTOR BETA 3 | | Authors: | Hart, P.J, Deep, S, Taylor, A.B, Shu, Z, Hinck, C.S, Hinck, A.P. | | Deposit date: | 2002-01-18 | | Release date: | 2002-02-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the human TbetaR2 ectodomain--TGF-beta3 complex.
Nat.Struct.Biol., 9, 2002
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5OGI
 | | Complex of a binding protein and human adenovirus C 5 hexon | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | | Deposit date: | 2017-07-13 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
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1KUG
 | | Crystal Structure of a Taiwan Habu Venom Metalloproteinase complexed with its endogenous inhibitor pENW | | Descriptor: | CADMIUM ION, ENW, metalloproteinase | | Authors: | Huang, K.F, Chiou, S.H, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2002-01-22 | | Release date: | 2002-07-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Determinants of the inhibition of a Taiwan habu venom metalloproteinase by its endogenous inhibitors revealed by X-ray crystallography and synthetic inhibitor analogues.
Eur.J.Biochem., 269, 2002
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1ZFM
 | | AGC Duplex B-DNA | | Descriptor: | 5'-D(*CP*CP*GP*CP*TP*AP*GP*CP*GP*G)-3' | | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | Deposit date: | 2005-04-20 | | Release date: | 2005-05-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5OJV
 | | Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) E419A variant in complex with mannosylglycerate | | Descriptor: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid, GLYCEROL, SERINE, ... | | Authors: | Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B. | | Deposit date: | 2017-07-24 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.062 Å) | | Cite: | The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
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7MJH
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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5JSY
 | | The 3D structure of the Ni-reconstituted U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough at 1.04 Angstrom resolution | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | | Authors: | Marques, M.C, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2016-05-09 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Nat. Chem. Biol., 13, 2017
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1OZ3
 | | Crystal Structure of 3-MBT repeats of lethal (3) malignant Brain Tumor (Native-I) at 1.85 angstrom | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION | | Authors: | Wang, W.K, Tereshko, V, Boccuni, P, MacGrogan, D, Nimer, S.D, Patel, D.J. | | Deposit date: | 2003-04-07 | | Release date: | 2003-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Malignant brain tumor repeats: a three-leaved propeller architecture with ligand/peptide binding pockets.
Structure, 11, 2003
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5OAL
 | | Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E) | | Descriptor: | ARGININE, STRYCHNINE, Soluble acetylcholine receptor | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-22 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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7MJJ
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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4NN9
 | | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | | Authors: | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | | Deposit date: | 1991-03-28 | | Release date: | 1992-07-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
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1P35
 | | CRYSTAL STRUCTURE OF BACULOVIRUS P35 | | Descriptor: | 1,2-ETHANEDIOL, P35, PHOSPHATE ION | | Authors: | Fisher, A.J, Delacruz, W.P, Zoog, S.J, Schneider, C.L, Friesen, P.D. | | Deposit date: | 1998-09-18 | | Release date: | 1999-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of baculovirus P35: role of a novel reactive site loop in apoptotic caspase inhibition.
EMBO J., 18, 1999
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7MJK
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MJG
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MJM
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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3B2U
 | | Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Ferguson, K.M, Li, S, Kussie, P. | | Deposit date: | 2007-10-19 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural basis for EGF receptor inhibition by the therapeutic antibody IMC-11F8.
Structure, 16, 2008
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2JVE
 | | Solution structure of the extracellular domain of Prod1, a protein implicated in proximodistal identity during amphibian limb regeneration | | Descriptor: | Prod 1 | | Authors: | Garza-Garcia, A, Harris, R, Esposito, D, Driscoll, P.C. | | Deposit date: | 2007-09-19 | | Release date: | 2008-09-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure and phylogenetics of Prod1, a member of the three-finger protein superfamily implicated in salamander limb regeneration.
Plos One, 4, 2009
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