2FJN
 
 | | The structure of phosphotyrosine phosphatase 1B in complex with compound 2 | | Descriptor: | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, Tyrosine-protein phosphatase, ... | | Authors: | Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Kennedy, B.P, Scapin, G. | | Deposit date: | 2006-01-03 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase.
J.Biol.Chem., 281, 2006
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2F2K
 | | Aldose reductase tertiary complex with NADPH and DEG | | Descriptor: | Aldose reductase, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Singh, R, White, M.A, Ramana, K.V, Petrash, J.M, Watowich, S.J, Bhatnagar, A, Srivastava, S.K. | | Deposit date: | 2005-11-17 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure of a glutathione conjugate bound to the active site of aldose reductase.
Proteins, 64, 2006
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2FCH
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2FCF
 | | The crystal structure of the 7th PDZ domain of MPDZ (MUPP-1) | | Descriptor: | Multiple PDZ domain protein | | Authors: | Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-12-12 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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2FDP
 | | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | | Deposit date: | 2005-12-14 | | Release date: | 2006-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
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2FMS
 | | DNA Polymerase beta with a gapped DNA substrate and dUMPNPP with magnesium in the catalytic site | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ... | | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2006-01-09 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
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2FNE
 | | The crystal structure of the 13th PDZ domain of MPDZ | | Descriptor: | Multiple PDZ domain protein | | Authors: | Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-01-11 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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2FMQ
 | | Sodium in active site of DNA Polymerase Beta | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ... | | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2006-01-09 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
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2FO0
 | | Organization of the SH3-SH2 Unit in Active and Inactive Forms of the c-Abl Tyrosine Kinase | | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Nagar, B, Hantschel, O, Seeliger, M, Davies, J.M, Weis, W.I, Superti-Furga, G, Kuriyan, J. | | Deposit date: | 2006-01-12 | | Release date: | 2006-03-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Organization of the SH3-SH2 unit in active and inactive forms of the c-Abl tyrosine kinase.
Mol.Cell, 21, 2006
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2FQQ
 | | Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide | | Descriptor: | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1 | | Authors: | Scheer, J.M, Wells, J.A, Romanowski, M.J. | | Deposit date: | 2006-01-18 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
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2FWV
 | | Crystal Structure of Rv0813 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, hypothetical protein MtubF_01000852 | | Authors: | Shepard, W, Haouz, A, Grana, M, Buschiazzo, A, Betton, J.M, Cole, S.T, Alzari, P.M, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-02-03 | | Release date: | 2006-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Rv0813c from Mycobacterium tuberculosis Reveals a New Family of Fatty Acid-Binding Protein-Like Proteins in Bacteria
J.Bacteriol., 189, 2007
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2FZ6
 | | Crystal structure of hydrophobin HFBI | | Descriptor: | Hydrophobin-1, ZINC ION | | Authors: | Hakanpaa, J.M, Rouvinen, J. | | Deposit date: | 2006-02-09 | | Release date: | 2006-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two crystal structures of Trichoderma reesei hydrophobin HFBI--The structure of a protein amphiphile with and without detergent interaction.
Protein Sci., 15, 2006
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2FMP
 | | DNA Polymerase beta with a terminated gapped DNA substrate and ddCTP with sodium in the catalytic site | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2006-01-09 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
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2FN4
 | | The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras | | Authors: | Turnbull, A.P, Elkins, J.M, Gileadi, C, Burgess, N, Salah, E, Papagrigoriou, E, Debreczeni, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-01-10 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
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6ERW
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2017-10-19 | | Release date: | 2018-10-31 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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2YIB
 | | Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus | | Descriptor: | RNA-DIRECTED RNA POLYMERASE | | Authors: | Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
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4CNP
 | | Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative | | Descriptor: | (2S)-2-HYDROXY-3-EPIQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-23 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
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6EH3
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2YME
 | | Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with granisetron | | Descriptor: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... | | Authors: | Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C. | | Deposit date: | 2012-10-09 | | Release date: | 2012-12-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Ligand Recognition in 5-Ht3 Receptors.
Embo Rep., 14, 2013
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1WO3
 | | Solution structure of Minimal Mutant 1 (MM1): Multiple alanine mutant of non-native CHANCE domain | | Descriptor: | CREB Binding Protein, ZINC ION | | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2004-08-12 | | Release date: | 2005-03-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
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4CXA
 | | Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP | | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Nowak, R, Goubin, S, Mahajan, R.P, Kopec, J, Froese, S, Tallant, C, Carpenter, E.P, Mackenzie, A, Faust, B, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2014-04-04 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
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6ESA
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and AMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, beta-D-ribopyranose, ... | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2017-10-19 | | Release date: | 2018-10-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.307 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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2YJC
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | Descriptor: | (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1 | | Authors: | Banner, D.W, Benz, J.M, Haap, W. | | Deposit date: | 2011-05-19 | | Release date: | 2011-11-23 | | Last modified: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
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6EDK
 | | Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis with N10-formyltetrahydrofolate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Formyltransferase PseJ, N-{4-[{[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid, ... | | Authors: | Reimer, J.M, Harb, I, Schmeing, T.M. | | Deposit date: | 2018-08-09 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
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4CKZ
 | | Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant | | Descriptor: | 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-10 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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