7JXX
 
 | | Structure of TTBK1 kinase domain in complex with Compound 3 | | Descriptor: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1 | | Authors: | Chodaprambil, J.V. | | Deposit date: | 2020-08-28 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
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4D99
 | | Salmonella typhimurium D-Cysteine desulfhydrase with L-ser bound non-covalently at the active site | | Descriptor: | BENZAMIDINE, D-cysteine desulfhydrase, SERINE, ... | | Authors: | Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2012-01-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
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4D40
 | | High-Resolution Structure of a Type IV Pilin from Shewanella oneidensis | | Descriptor: | PILD PROCESSED PROTEIN, SODIUM ION, SULFATE ION | | Authors: | Gorgel, M, JensenUlstrup, J, Boeggild, A, Nissen, P, Boesen, T. | | Deposit date: | 2014-10-24 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.669 Å) | | Cite: | High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
Bmc Struct.Biol., 15, 2015
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3EXX
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4M7P
 | | Ensemble refinement of protein crystal structure of macrolide glycosyltransferases OleD | | Descriptor: | Oleandomycin glycosyltransferase, SODIUM ION | | Authors: | Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2013-08-12 | | Release date: | 2013-09-11 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of macrolide glycosyltransferases OleD
To be Published
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3NAM
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg | | Descriptor: | (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
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1TKO
 | | Iron-oxo clusters biomineralizing on protein surfaces. Structural analysis of H.salinarum DpsA in its low and high iron states | | Descriptor: | FE (III) ION, Iron-rich dpsA-homolog protein, SODIUM ION, ... | | Authors: | Zeth, K, Offermann, S, Essen, L.O, Oesterhelt, D. | | Deposit date: | 2004-06-09 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Iron-oxo clusters biomineralizing on protein surfaces: structural analysis of Halobacterium salinarum DpsA in its low- and high-iron states.
Proc.Natl.Acad.Sci.USA, 101, 2004
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2RK7
 | | The Structure of rat cytosolic PEPCK in complex with oxalate | | Descriptor: | MANGANESE (II) ION, OXALATE ION, Phosphoenolpyruvate carboxykinase, ... | | Authors: | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
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4M0W
 | | Crystal Structure of SARS-CoV papain-like protease C112S mutant in complex with ubiquitin | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Replicase polyprotein 1a, ... | | Authors: | Chou, C.-Y, Chen, H.-Y, Lai, H.-Y, Cheng, S.-C, Chou, Y.-W. | | Deposit date: | 2013-08-02 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for catalysis and ubiquitin recognition by the severe acute respiratory syndrome coronavirus papain-like protease
Acta Crystallogr.,Sect.D, 70, 2014
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2DDA
 | | Crystal structure of pseudechetoxin from Pseudechis australis | | Descriptor: | FORMIC ACID, GLYCEROL, Pseudechetoxin, ... | | Authors: | Suzuki, N, Yamazaki, Y, Fujimoto, Z, Morita, T, Mizuno, H. | | Deposit date: | 2006-01-25 | | Release date: | 2007-01-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of pseudechetoxin and pseudecin, two snake-venom cysteine-rich secretory proteins that target cyclic nucleotide-gated ion channels: implications for movement of the C-terminal cysteine-rich domain
Acta Crystallogr.,Sect.D, 64, 2008
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1WPG
 | | Crystal structure of the SR CA2+-ATPase with MGF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | Authors: | Toyoshima, C, Nomura, H, Tsuda, T. | | Deposit date: | 2004-09-02 | | Release date: | 2004-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues
Nature, 432, 2004
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4M8T
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4C6W
 | | Crystal structure of M. tuberculosis C171Q KasA | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-09-19 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
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3F68
 | | Thrombin Inhibition | | Descriptor: | Hirudin variant-2, N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Prothrombin, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-11-05 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
J.Mol.Biol., 391, 2009
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3FGH
 | | Human mitochondrial transcription factor A box B | | Descriptor: | CADMIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A. | | Deposit date: | 2008-12-06 | | Release date: | 2009-04-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
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3FH4
 | | Crystal Structure of Recombinant Vibrio proteolyticus aminopeptidase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ... | | Authors: | Yong, W, Kim, J.-J.P, Hartley, M, Bennett, B. | | Deposit date: | 2008-12-08 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Heterologous expression and purification of Vibrio proteolyticus (Aeromonas proteolytica) aminopeptidase: a rapid protocol
Protein Expr.Purif., 66, 2009
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3FHY
 | | Crystal structure of D235N mutant of human pyridoxal kinase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Safo, M.K, Gandhi, A.K, Musayev, F.N, Ghatge, M, Di Salvo, M.L, Schirch, V. | | Deposit date: | 2008-12-10 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Kinetic and structural studies of the role of the active site residue Asp235 of human pyridoxal kinase.
Biochem.Biophys.Res.Commun., 381, 2009
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4M4O
 | | Crystal structure of the aptamer minE-lysozyme complex | | Descriptor: | Lysozyme C, MAGNESIUM ION, RNA (59-MER), ... | | Authors: | Malashkevich, V.N, Padlan, F.C, Toro, R, Girvin, M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-07 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the aptamer minE-lysozyme complex
to be published
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4E1E
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-03-06 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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3ND4
 | | Watson-Crick 16-mer dsRNA | | Descriptor: | 5'-R(*AP*GP*AP*GP*AP*AP*GP*AP*UP*CP*UP*UP*CP*UP*CP*U)-3', MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Mooers, B.H, Singh, A. | | Deposit date: | 2010-06-07 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.524 Å) | | Cite: | The crystal structure of an oligo(U):pre-mRNA duplex from a trypanosome RNA editing substrate.
Rna, 17, 2011
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3FD6
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3NU3
 | | Wild Type HIV-1 Protease with Antiviral Drug Amprenavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
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4EAA
 | | X-ray crystal structure of the H141N mutant of perosamine N-acetyltransferase from Caulobacter crescentus in complex with CoA and GDP-perosamine | | Descriptor: | CHLORIDE ION, COENZYME A, GDP-perosamine, ... | | Authors: | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | | Deposit date: | 2012-03-22 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses.
Biochemistry, 51, 2012
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4LXI
 | | Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA | | Descriptor: | (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION | | Authors: | Bhowmik, S, Bolin, J.T. | | Deposit date: | 2013-07-29 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase.
Biochemistry, 52, 2013
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4LYI
 | | Crystal Structure of apo-BRD4(1) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ... | | Authors: | Wohlwend, D. | | Deposit date: | 2013-07-31 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
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