4JQM
 
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQN
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4J80
 | | Thermus thermophilus DnaJ | | Descriptor: | Chaperone protein DnaJ 2 | | Authors: | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-02-14 | | Release date: | 2013-07-31 | | Last modified: | 2013-10-09 | | Method: | EPR (2.9 Å), X-RAY DIFFRACTION | | Cite: | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ.
Acta Crystallogr.,Sect.D, 69, 2013
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4J55
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, Protease | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.
J.Med.Chem., 56, 2013
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4J4E
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4J2T
 | | Inhibitor-bound Ca2+ ATPase | | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate, PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, ... | | Authors: | Paulsen, E.S, Villadsen, J, Tenori, E, Liu, H, Lie, M.A, Bonde, D.F, Bublitz, M, Olesen, C, Autzen, H.E, Dach, I, Sehgal, P, Moller, J.V, Schiott, B, Nissen, P, Christensen, S.B. | | Deposit date: | 2013-02-05 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.
J.Med.Chem., 56, 2013
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4JM4
 | | Crystal Structure of PGT 135 Fab | | Descriptor: | PGT 135 Heavy Chain, PGT 135 Light Chain | | Authors: | Kong, L, Wilson, I.A. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-29 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
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4JG7
 | | Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide | | Descriptor: | (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION | | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.0002 Å) | | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
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4JPL
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole | | Descriptor: | 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-19 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQK
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | | Descriptor: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JBL
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4JPT
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-19 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JX3
 | | Crystal structure of Pim1 kinase | | Descriptor: | Serine/threonine-protein kinase pim-1 | | Authors: | Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I. | | Deposit date: | 2013-03-27 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
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4JG8
 | | Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide | | Descriptor: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-3 | | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-04-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1002 Å) | | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
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4JEC
 | | Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir | | Descriptor: | CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Authors: | Kovalevsky, A.Y, Weber, I.T, Langan, P. | | Deposit date: | 2013-02-26 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION | | Cite: | Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
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4JPK
 | | Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain eOD-GT6 in complex with a putative VRC01 germline precursor Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6, ... | | Authors: | Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
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4JZT
 | | Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH (E68A mutant) bound to GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, dGTP pyrophosphohydrolase | | Authors: | Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C. | | Deposit date: | 2013-04-03 | | Release date: | 2013-05-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4K15
 | | 2.75 Angstrom Crystal Structure of Hypothetical Protein lmo2686 from Listeria monocytogenes EGD-e | | Descriptor: | CHLORIDE ION, Lmo2686 protein | | Authors: | Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-04-04 | | Release date: | 2013-04-17 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 2.75 Angstrom Crystal Structure of Hypothetical Protein lmo2686 from Listeria monocytogenes EGD-e
TO BE PUBLISHED
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3QM2
 | | 2.25 Angstrom Crystal Structure of Phosphoserine Aminotransferase (SerC) from Salmonella enterica subsp. enterica serovar Typhimurium | | Descriptor: | CALCIUM ION, Phosphoserine aminotransferase | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-02-03 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 2.25 Angstrom Crystal Structure of Phosphoserine Aminotransferase (SerC) from Salmonella enterica subsp. enterica serovar Typhimurium.
TO BE PUBLISHED
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3QL0
 | | Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. | | Deposit date: | 2011-02-02 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Science, 332, 2011
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3Q74
 | | Crystal Structure Analysis of the L7A Mutant of the Apo Form of Human Alpha Class Glutathione Transferase | | Descriptor: | Glutathione S-transferase A1 | | Authors: | Fanucchi, S, Achilonu, I.A, Khoza, T.N, Fernandes, M.A, Gildenhuys, S, Dirr, H.W. | | Deposit date: | 2011-01-04 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal Structure Analysis of the L7A Mutant of the Apo Form of Human Alpha Class Glutathione Transferase
To be Published
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3UMF
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3UER
 | | Crystal structure of amylosucrase from Deinococcus geothermalis in complex with turanose | | Descriptor: | Amylosucrase, alpha-D-glucopyranose-(1-3)-alpha-D-fructofuranose, alpha-D-glucopyranose-(1-3)-beta-D-fructofuranose | | Authors: | Guerin, F, Pizzut-Serin, S, Potocki-Veronese, G, Guillet, V, Mourey, L, Remaud-Simeon, M, Andre, I, Tranier, S. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis.
J.Biol.Chem., 287, 2012
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3UKV
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3QWM
 | | Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a | | Descriptor: | IQ motif and SEC7 domain-containing protein 1 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Feller, S, Janning, M, Sabe, H, Krojer, T, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-02-28 | | Release date: | 2011-04-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a
to be published
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