4FLO
 
 | | Crystal structure of Amylosucrase double mutant A289P-F290C from Neisseria polysaccharea | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ... | | Authors: | Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S. | | Deposit date: | 2012-06-15 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
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7JRW
 | | Phospholipase D engineered mutant bound to phosphatidic acid (5 day soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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7JRV
 | | Phospholipase D engineered mutant bound to phosphatidic acid (30 minute soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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5EXL
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7JRU
 | | Phospholipase D engineered mutant bound to phosphatidic acid (8 hour soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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5BVP
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3Q9Y
 | | Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 8.5 | | Descriptor: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Battistutta, R, Ranchio, A, Papinutto, E. | | Deposit date: | 2011-01-10 | | Release date: | 2012-01-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
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4J58
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Colliandre, L, Gelin, M, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
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2E6Q
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4RDD
 | | Co-crystal structure of SHP2 in complex with a Cefsulodin derivative | | Descriptor: | 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyr idinium, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Z.Y, Yu, Z.H, He, R, Zhang, R.Y. | | Deposit date: | 2014-09-18 | | Release date: | 2015-07-01 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.
ACS Med Chem Lett, 6, 2015
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5BV9
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7JJN
 | | Eubacterium rectale Amy13B (EUR_01860) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Koropatkin, N.M, Cockburn, D.W, Cerqueira, F.M. | | Deposit date: | 2020-07-27 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The structures of the GH13_36 amylases from Eubacterium rectale and Ruminococcus bromii reveal subsite architectures that favor maltose production
Amylase, 4, 2020
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4REF
 | | Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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7GA2
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with POB0008 | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Serine protease NS3, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.034 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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1T5B
 | | Structural genomics, A protein from Salmonella typhimurium similar to E. coli acyl carrier protein phosphodiesterase | | Descriptor: | Acyl carrier protein phosphodiesterase, FLAVIN MONONUCLEOTIDE | | Authors: | Zhang, R, Wu, R, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-03 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 1.4 A crystal structure of a protein from Salmonella typhimurium similar to E. coli acyl carrier protein phosphodiesterase
To be Published
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7G9M
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z44584886 | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Serine protease NS3, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.541 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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1T46
 | | STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog, PHOSPHATE ION | | Authors: | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | | Deposit date: | 2004-04-28 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase.
J.Biol.Chem., 279, 2004
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1WTU
 | | TRANSCRIPTION FACTOR 1, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | TRANSCRIPTION FACTOR 1 | | Authors: | Jia, X, Grove, A, Ivancic, M, Hsu, V.L, Geiduschek, E.P, Kearns, D.R. | | Deposit date: | 1996-07-29 | | Release date: | 1997-02-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the Bacillus subtilis phage SPO1-encoded type II DNA-binding protein TF1 in solution.
J.Mol.Biol., 263, 1996
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1WCU
 | | CBM29_1, A Family 29 Carbohydrate Binding Module from Piromyces equi | | Descriptor: | GLYCEROL, NON-CATALYTIC PROTEIN 1 | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davis, G.J, Gilbert, H.J. | | Deposit date: | 2004-11-22 | | Release date: | 2005-03-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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3R1I
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2GM8
 | | TenA Homolog/Thi-4 Thiaminase complexed with product 4-amino-5-hydroxymethyl-2-methylpyrimidine | | Descriptor: | 1,2-ETHANEDIOL, 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, tenA homolog/Thi-4 Thiaminase | | Authors: | Sawaya, M.R, Chan, S, Han, G.W, Perry, L.J, Pashkov, I. | | Deposit date: | 2006-04-06 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a TenA Homolog/Thi-4 Thiaminase from Pyrobaculum Aerophilum
To be Published
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1TJK
 | | Crystal structure of the complex formed between group II phospholipase A2 with a designed pentapeptide, Phe- Leu- Ser- Thr- Lys at 1.2 A resolution | | Descriptor: | Phospholipase A2, SULFATE ION, synthetic peptide | | Authors: | Singh, N, Jabeen, T, Somvanshi, R.K, Sharma, S, Perbandt, M, Dey, S, Betzel, C, Singh, T.P. | | Deposit date: | 2004-06-06 | | Release date: | 2004-06-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of the complex formed between group II phospholipase A2 with a designed pentapeptide, Phe - Leu - Ser - Thr - Lys at 1.2 A resolution
To be Published
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3IA9
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4II2
 | | Crystal structure of Ubiquitin activating enzyme 1 (Uba1) in complex with the Ub E2 Ubc4, ubiquitin, and ATP/Mg | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Olsen, S.K, Lima, C.D. | | Deposit date: | 2012-12-19 | | Release date: | 2013-02-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a ubiquitin E1-E2 complex: insights to E1-E2 thioester transfer.
Mol.Cell, 49, 2013
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3IEH
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