4YOZ
 
 | | p107 pocket domain in complex with HPV E7 peptide | | Descriptor: | HPV E7 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION | | Authors: | Liban, T.J, Guiley, K.Z, Felthousen, J.G, Ramanan, P, Litovchick, L, Rubin, S.M. | | Deposit date: | 2015-03-12 | | Release date: | 2015-06-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.245 Å) | | Cite: | Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
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4YOS
 | | p107 pocket domain complexed with LIN52 peptide | | Descriptor: | 1,2-ETHANEDIOL, Protein lin-52 homolog, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, ... | | Authors: | Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M. | | Deposit date: | 2015-03-12 | | Release date: | 2015-05-27 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
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4Z3I
 | | Crystal structure of the lectin domain of PapG from E. coli BI47 in spacegroup P21212 | | Descriptor: | PapG, lectin domain | | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | | Deposit date: | 2015-03-31 | | Release date: | 2016-04-13 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.739 Å) | | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity.
Chembiochem, 18, 2017
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4Z3G
 | | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P212121 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methoxyphenol, PapG, ... | | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | | Deposit date: | 2015-03-31 | | Release date: | 2016-04-13 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity.
Chembiochem, 18, 2017
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4X5Q
 | | Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside | | Descriptor: | 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH | | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
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4X50
 | | Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside | | Descriptor: | Protein FimH, biphenyl-4-yl alpha-D-mannopyranoside | | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | | Deposit date: | 2014-12-04 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
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4Z33
 | | Crystal structure of the syntenin PDZ1 and PDZ2 tandem in complex with the Frizzled 7 C-terminal fragment and PIP2 | | Descriptor: | ACETATE ION, D-MYO-INOSITOL-4,5-BISPHOSPHATE, GLYCEROL, ... | | Authors: | Egea-Jimenez, A.L, Gallardo, R, Garcia-Pino, A, Ivarsson, Y, Wawrzyniak, A.M, Kashyap, R, Loris, R, Schymkowitz, J, Rousseau, F, Zimmermann, P. | | Deposit date: | 2015-03-30 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the syntenin PDZ1 and PDZ2 tandem in complex with the Frizzled 7 C-terminal fragment and PIP2
To Be Published
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4Z3E
 | | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P212121 | | Descriptor: | PapG, lectin domain, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | | Deposit date: | 2015-03-31 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity.
Chembiochem, 18, 2017
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1JNJ
 | | NMR solution structure of the human beta2-microglobulin | | Descriptor: | beta2-microglobulin | | Authors: | Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G. | | Deposit date: | 2001-07-24 | | Release date: | 2002-02-27 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition.
Protein Sci., 11, 2002
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4Z3H
 | | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P21 | | Descriptor: | 4-methoxyphenol, PapG, lectin domain, ... | | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | | Deposit date: | 2015-03-31 | | Release date: | 2016-04-13 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity.
Chembiochem, 18, 2017
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3PWC
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PYH
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-13 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PMJ
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-11-17 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PWB
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLB
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-11-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLP
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | Descriptor: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-11-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLK
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-11-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3MX8
 | | Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, LINKER, ... | | Authors: | Leich, F, Neumann, P, Lilie, H, Ulbrich-Hofmann, R, Arnold, U. | | Deposit date: | 2010-05-07 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Febs J., 278, 2011
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3PM3
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-11-16 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3Q00
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Cationic trypsin, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-15 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3L9B
 | | Crystal Structure of Rat Otoferlin C2A | | Descriptor: | MAGNESIUM ION, Otoferlin | | Authors: | Helfmann, S, Neumann, P. | | Deposit date: | 2010-01-04 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of the C2A domain of otoferlin reveals an unconventional top loop region.
J.Mol.Biol., 406, 2011
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3S1U
 | | Transaldolase from Thermoplasma acidophilum in complex with D-erythrose 4-phosphate | | Descriptor: | CHLORIDE ION, ERYTHOSE-4-PHOSPHATE, Probable transaldolase | | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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3S1X
 | | Transaldolase from Thermoplasma acidophilum in complex with D-sedoheptulose 7-phosphate Schiff-base intermediate | | Descriptor: | D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, Probable transaldolase | | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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3S0C
 | | Transaldolase wt of Thermoplasma acidophilum | | Descriptor: | GLYCEROL, Probable transaldolase | | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2011-05-13 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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3S1W
 | | Transaldolase variant Lys86Ala from Thermoplasma acidophilum in complex with glycerol and citrate | | Descriptor: | CITRATE ANION, GLYCEROL, Probable transaldolase | | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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