1Y5X
 
 | | tRNA-guanine Transglycosylase (TGT) in complex with 6-Amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | | Authors: | Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G. | | Deposit date: | 2004-12-03 | | Release date: | 2005-12-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding
J.Mol.Biol., 370, 2007
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7XNY
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4RD9
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4DHM
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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1JZ4
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4DHT
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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5A7A
 | | Novel inter-subunit contacts in Barley Stripe Mosaic Virus revealed by cryo-EM | | Descriptor: | BARLEY STRIPE MOSAIC VIRUS NARROW, RNA | | Authors: | Clare, D.K, Pechnikova, E, Skurat, E, Makarov, V, Sokolova, O.S, Solovyev, A.G, V Orlova, E. | | Deposit date: | 2015-07-03 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Novel Inter-Subunit Contacts in Barley Stripe Mosaic Virus Revealed by Cryo-Electron Microscopy.
Structure, 23, 2015
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1DOB
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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1PYX
 | | GSK-3 Beta complexed with AMP-PNP | | Descriptor: | Glycogen synthase kinase-3 beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | | Deposit date: | 2003-07-09 | | Release date: | 2003-10-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors
J.Mol.Biol., 333, 2003
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2AJM
 | | NMR structure of the in-plane membrane anchor domain [1-28] of the monotopic NonStructural Protein 5A (NS5A) from the Bovine Viral Diarrhea Virus (BVDV) | | Descriptor: | Nonstructural protein 5A | | Authors: | Sapay, N, Montserret, R, Chipot, C, Brass, V, Moradpour, D, Deleage, G, Penin, F. | | Deposit date: | 2005-08-02 | | Release date: | 2005-08-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure and molecular dynamics of the in-plane membrane anchor of nonstructural protein 5A from bovine viral diarrhea virus.
Biochemistry, 45, 2006
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2AJS
 | | Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Antibody 7A1 FAB', GLYCEROL, ... | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2005-08-02 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
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3IVK
 | | Crystal Structure of the Catalytic Core of an RNA Polymerase Ribozyme Complexed with an Antigen Binding Antibody Fragment | | Descriptor: | CADMIUM ION, CHLORIDE ION, Fab heavy chain, ... | | Authors: | Koldobskaya, Y, Duguid, E.M, Shechner, D.M, Koide, S, Kossiakoff, A.A, Bartel, D.P, Piccirilli, J.A. | | Deposit date: | 2009-09-01 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of the catalytic core of an RNA-polymerase ribozyme.
Science, 326, 2009
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2AJZ
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1YFD
 | | Crystal structure of the Y122H mutant of ribonucleotide reductase R2 protein from E. coli | | Descriptor: | MERCURY (II) ION, MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Kolberg, M, Logan, D.T, Bleifuss, G, Poetsch, S, Sjoeberg, B.M, Graeslund, A, Lubitz, W, Lassmann, G, Lendzian, F. | | Deposit date: | 2004-12-31 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A new tyrosyl radical on Phe208 as ligand to the diiron center in Escherichia coli ribonucleotide reductase, mutant R2-Y122H. Combined x-ray diffraction and EPR/ENDOR studies
J.Biol.Chem., 280, 2005
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4KS6
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 166-174 stretch | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stura, E.A, Vera, L, Guitot, K, Dive, V. | | Deposit date: | 2013-05-17 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
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5AAD
 | | Aurora A kinase bound to an imidazopyridine inhibitor (7a) | | Descriptor: | 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | | Authors: | McIntyre, P.J, Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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1Y6U
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1JFC
 | | X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferrous CO state at atomic resolution | | Descriptor: | CARBON MONOXIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Shimizu, H, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-06-20 | | Release date: | 2001-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution.
Acta Crystallogr.,Sect.D, 58, 2002
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5ABV
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4RCW
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4K72
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4INP
 | | The crystal structure of Helicobacter pylori Ceue (HP1561) with Ni(II) bound | | Descriptor: | ACETATE ION, Iron (III) ABC transporter, periplasmic iron-binding protein, ... | | Authors: | Shaik, M.M, Cendron, L, Zanotti, G. | | Deposit date: | 2013-01-05 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Helicobacter pylori periplasmic receptor CeuE (HP1561) modulates its nickel affinity via organic metallophores.
Mol.Microbiol., 91, 2014
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3V6P
 | | Crystal structure of the DNA-binding domain of dHax3, a TAL effector | | Descriptor: | dHax3 | | Authors: | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Shi, Y.G, Yan, N. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors
Science, 2012
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5AKT
 | | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-4'-O- glucuronide | | Descriptor: | Resveratrol-4'-O-glucuronide, SULFATE ION, TRANSTHYRETIN | | Authors: | Florio, P, Folli, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | | Deposit date: | 2015-03-05 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
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1G76
 | | X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION | | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Schirch, V. | | Deposit date: | 2000-11-09 | | Release date: | 2000-11-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution.
J.Mol.Biol., 310, 2001
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