2BYQ
 
 | | Crystal structure of Aplysia californica AChBP in complex with epibatidine | | Descriptor: | EPIBATIDINE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations.
Embo J., 24, 2005
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1UEH
 | | E. coli undecaprenyl pyrophosphate synthase in complex with Triton X-100, magnesium and sulfate | | Descriptor: | MAGNESIUM ION, OXTOXYNOL-10, SULFATE ION, ... | | Authors: | Chang, S.-Y, Ko, T.-P, Liang, P.-H, Wang, A.H.-J. | | Deposit date: | 2003-05-15 | | Release date: | 2003-08-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Catalytic mechanism revealed by the crystal structure of undecaprenyl pyrophosphate synthase in complex with sulfate, magnesium, and triton
J.Biol.Chem., 278, 2003
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1YM2
 | | Crystal structure of human beta secretase complexed with NVP-AUR200 | | Descriptor: | Beta-secretase 1, NVP-AUR200 INHIBITOR | | Authors: | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | | Deposit date: | 2005-01-20 | | Release date: | 2006-01-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
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5WPI
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1RA0
 | | Bacterial cytosine deaminase D314G mutant bound to 5-fluoro-4-(S)-hydroxy-3,4-dihydropyrimidine. | | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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2WGT
 | | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N-propaonyl-3,5-dideoxy-D- glycero-a-D-galacto-2-nonulopyranosylonic acid | | Descriptor: | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | | Authors: | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | | Deposit date: | 2009-04-27 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
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3JRN
 | | Crystal structure of TIR domain from Arabidopsis Thaliana | | Descriptor: | ARSENIC, AT1G72930 protein | | Authors: | Chan, S.L, Mukasa, T, Santelli, E, Low, L.Y, Pascual, J. | | Deposit date: | 2009-09-08 | | Release date: | 2009-10-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of a TIR domain from Arabidopsis thaliana reveals a conserved helical region unique to plants.
Protein Sci., 19, 2009
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7WHU
 | | Human Neutrophil Elastase in-complex with Ecotin Peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin Peptide, ... | | Authors: | Shankar, S, Jayaraman, S. | | Deposit date: | 2021-12-31 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide
Protein Sci., 31, 2022
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3K6V
 | | M. acetivorans Molybdate-Binding Protein (ModA) in Citrate-Bound Open Form | | Descriptor: | CITRIC ACID, Solute-binding protein MA_0280 | | Authors: | Chan, S, Giuroiu, I, Chernishof, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
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6IGV
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1S52
 | | Thr24Val Bacteriorhodopsin | | Descriptor: | RETINAL, bacteriorhodopsin | | Authors: | Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U. | | Deposit date: | 2004-01-19 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
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3K6W
 | | Apo and ligand bound structures of ModA from the archaeon Methanosarcina acetivorans | | Descriptor: | MOLYBDATE ION, SULFATE ION, Solute-binding protein MA_0280 | | Authors: | Chan, S, Chernishof, I, Giuroiu, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
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3K6X
 | | M. acetivorans Molybdate-Binding Protein (ModA) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel | | Descriptor: | MOLYBDATE ION, SULFATE ION, Solute-binding protein MA_0280 | | Authors: | Chan, S, Chernishof, I, Giuroiu, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
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1RAK
 | | Bacterial cytosine deaminase D314S mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine. | | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION, ... | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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1RA5
 | | Bacterial cytosine deaminase D314A mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine. | | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION, ... | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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2BYN
 | | Crystal structure of apo AChBP from Aplysia californica | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAETHYLENE GLYCOL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations.
Embo J., 24, 2005
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1RIW
 | | Thrombin in complex with natural product inhibitor Oscillarin | | Descriptor: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ... | | Authors: | Hanessian, S, Tremblay, M, Petersen, J.F.W. | | Deposit date: | 2003-11-18 | | Release date: | 2004-11-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin
J.Am.Chem.Soc., 126, 2004
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1V7U
 | | Crystal structure of Undecaprenyl Pyrophosphate Synthase with farnesyl pyrophosphate | | Descriptor: | FARNESYL DIPHOSPHATE, Undecaprenyl pyrophosphate synthetase | | Authors: | Chang, S.-Y, Ko, T.-P, Chen, A.P.-C, Wang, A.H.-J, Liang, P.-H. | | Deposit date: | 2003-12-24 | | Release date: | 2004-01-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Substrate binding mode and reaction mechanism of undecaprenyl pyrophosphate synthase deduced from crystallographic studies
Protein Sci., 13, 2004
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1S53
 | | Thr46Ser Bacteriorhodopsin | | Descriptor: | RETINAL, bacteriorhodopsin | | Authors: | Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U. | | Deposit date: | 2004-01-19 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
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3UGD
 | | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ... | | Authors: | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | | Deposit date: | 2011-11-02 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
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3K6U
 | | M. acetivorans Molybdate-Binding Protein (ModA) in Unliganded Open Form | | Descriptor: | Solute-binding protein MA_0280 | | Authors: | Chan, S, Giuroiu, I, Chernishof, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
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1SE4
 | | STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH LACTOSE | | Descriptor: | STAPHYLOCOCCAL ENTEROTOXIN B, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Swaminathan, S, Sax, M. | | Deposit date: | 1997-04-16 | | Release date: | 1997-10-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
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1SE3
 | | STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH GM3 TRISACCHARIDE | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, STAPHYLOCOCCAL ENTEROTOXIN B | | Authors: | Swaminathan, S, Sax, M. | | Deposit date: | 1996-10-11 | | Release date: | 1997-06-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
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2WGU
 | | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N- methoxycarbonyl -3,5-dideoxy- D-glycero-a-D-galacto-2-nonulopyranosylonic acid | | Descriptor: | 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | | Authors: | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | | Deposit date: | 2009-04-27 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
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6IGN
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