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: | 2024-10-16 | 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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4F6J
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3PT7
| Structure of HbII-III-Oxy from Lucina pectinata at pH 5.0 | Descriptor: | GLYCEROL, Hemoglobin II, Hemoglobin III, ... | Authors: | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata. To be Published
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4ABD
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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3HAW
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4F69
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4AB8
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4F6F
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4AJ8
| Crystallographic structure of thioredoxin from Litopenaeus vannamei (partially reduced). | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei Acta Crystallogr.,Sect.F, 69, 2013
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3GYD
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4JAC
| Dehaloperoxidase-Hemoglobin T56S | Descriptor: | AZIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Franzen, S, Swartz, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.934 Å) | Cite: | The role of T56 in controlling the flexibility of the distal histidine in dehaloperoxidase-hemoglobin from Amphitrite ornata. Biochim.Biophys.Acta, 1834, 2013
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3NML
| Sperm whale myoglobin mutant H64W carbonmonoxy-form | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Birukou, I, Soman, J, Olson, J.S. | Deposit date: | 2010-06-22 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Blocking the gate to ligand entry in human hemoglobin. J.Biol.Chem., 286, 2011
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3H08
| Crystal structure of the Ribonuclease H1 from Chlorobium tepidum | Descriptor: | MAGNESIUM ION, Rnh (Ribonuclease H) | Authors: | Ratcliff, K, Corn, J, Marqusee, S. | Deposit date: | 2009-04-08 | Release date: | 2009-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure, stability, and folding of ribonuclease H1 from the moderately thermophilic chlorobium tepidum: comparison with thermophilic and mesophilic homologues. Biochemistry, 48, 2009
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4AHF
| K17E - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | Descriptor: | 1,2-ETHANEDIOL, ANGIOGENIN, SULFATE ION | Authors: | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | Deposit date: | 2012-02-06 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.115 Å) | Cite: | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons. Nat.Commun., 3, 2012
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3NGP
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4EYR
| Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir | Descriptor: | HIV-1 PROTEASE, RITONAVIR | Authors: | Liu, Z, Yedidi, R.S, Wang, Y, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | Deposit date: | 2012-05-01 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the mechanism of drug resistance: X-ray structure analysis of multi-drug resistant HIV-1 protease ritonavir complex. Biochem.Biophys.Res.Commun., 431, 2013
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4AGA
| Hofmeister effects of ionic liquids in protein crystallization: direct and water-mediated interactions | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | Authors: | Mukhopadhyay, A, Carvalho, A.L, Romao, M.J. | Deposit date: | 2012-01-25 | Release date: | 2012-07-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions Cryst.Eng.Comm., 14, 2012
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4JPE
| Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | Descriptor: | (4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-03-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
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4AHM
| V113I - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | Descriptor: | ANGIOGENIN, L(+)-TARTARIC ACID | Authors: | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | Deposit date: | 2012-02-06 | Release date: | 2012-10-10 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons. Nat.Commun., 3, 2012
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3NHZ
| Structure of N-terminal Domain of MtrA | Descriptor: | MAGNESIUM ION, Two component system transcriptional regulator mtrA | Authors: | Barbieri, C.M, Mack, T.R, Robinson, V.L, Miller, M.T, Stock, A.M. | Deposit date: | 2010-06-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of response regulator autophosphorylation through interdomain contacts. J.Biol.Chem., 285, 2010
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3N9A
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3EUZ
| Crystal Structure of Ribonuclease A in 50% Dimethylformamide | Descriptor: | DIMETHYLFORMAMIDE, Ribonuclease pancreatic | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | Deposit date: | 2008-10-12 | Release date: | 2009-06-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method Proteins, 76, 2009
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4F68
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3N9C
| Mite-y Lysozyme: Marmite | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2010-05-28 | Release date: | 2011-06-08 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mite-y Lysozyme Crystals and Structures To be Published
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4JWE
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