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5I22	Amphiphysin SH3 in complex with Chikungunya virus nsP3 peptide Descriptor: CHIKV nsP3 peptide, Myc box-dependent-interacting protein 1 Authors: Tossavainen, H, Aitio, O, Hellman, M, Saksela, K, Permi, P. Deposit date: 2016-02-04 Release date: 2016-06-15 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Structural Basis of the High Affinity Interaction between the Alphavirus Nonstructural Protein-3 (nsP3) and the SH3 Domain of Amphiphysin-2. J.Biol.Chem., 291, 2016
1SEH	Crystal structure of E. coli dUTPase complexed with the product dUMP Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase Authors: Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G. Deposit date: 2004-02-17 Release date: 2004-09-07 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase J.Biol.Chem., 279, 2004
1CGS	LOCAL AND TRANSMITTED CONFORMATIONAL CHANGES ON COMPLEXATION OF AN ANTI-SWEETENER FAB Descriptor: IGG2B-KAPPA NC6.8 FAB (HEAVY CHAIN), IGG2B-KAPPA NC6.8 FAB (LIGHT CHAIN) Authors: Guddat, L.W, Shan, L, Edmundson, A.B. Deposit date: 1993-10-06 Release date: 1994-05-31 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Local and transmitted conformational changes on complexation of an anti-sweetener Fab. J.Mol.Biol., 236, 1994
3M25	Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... Authors: Meharenna, Y.T, Poulos, T.L. Deposit date: 2010-03-06 Release date: 2010-05-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate. Biochemistry, 49, 2010
3M2F	Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... Authors: Meharenna, Y.T, Poulos, T.L. Deposit date: 2010-03-07 Release date: 2010-05-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate. Biochemistry, 49, 2010
5I2B	Crystal structure of a peptide deformylase from Burkholderia ambifaria with actinonin Descriptor: 1,2-ETHANEDIOL, ACTINONIN, Peptide deformylase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2016-02-08 Release date: 2016-03-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of a peptide deformylase from Burkholderia ambifaria with actinonin to be published
2BW8	Native structure of Endoglucanase 12A (Cel12A) from Rhodothermus marinus Descriptor: ENDOGLUCANASE, SULFATE ION Authors: Crennell, S.J, Nordberg-Karlsson, E. Deposit date: 2005-07-13 Release date: 2005-12-21 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Dimerisation and an increase in active site aromatic groups as adaptations to high temperatures: X-ray solution scattering and substrate-bound crystal structures of Rhodothermus marinus endoglucanase Cel12A. J. Mol. Biol., 356, 2006
3M23	Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... Authors: Meharenna, Y.T, Poulos, T.L. Deposit date: 2010-03-06 Release date: 2010-05-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate. Biochemistry, 49, 2010
3M2G	Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... Authors: Meharenna, Y.T, Poulos, T.L. Deposit date: 2010-03-07 Release date: 2010-05-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate. Biochemistry, 49, 2010
6TXG	Proteinase K in complex with a "half sandwich"-type Ru(II) coordination compound Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, NITRATE ION, ... Authors: Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. Deposit date: 2020-01-14 Release date: 2020-04-29 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.372 Å) Cite: High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K. J.Biol.Inorg.Chem., 25, 2020
2BW7	A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen Descriptor: 2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE, ADENYLATE CYCLASE, CALCIUM ION, ... Authors: Steegborn, C, Litvin, T.N, Hess, K.C, Capper, A.B, Taussig, R, Buck, J, Levin, L.R, Wu, H. Deposit date: 2005-07-12 Release date: 2005-07-20 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: A Novel Mechanism for Adenylyl Cyclase Inhibition from the Crystal Structure of its Complex with Catechol Estrogen J.Biol.Chem., 280, 2005
5I74	X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site Descriptor: (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ... Authors: Coleman, J.A, Green, E.M, Gouaux, E. Deposit date: 2016-02-16 Release date: 2016-04-13 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (3.395 Å) Cite: X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
2IPG	Crystal structure of 17alpha-hydroxysteroid dehydrogenase mutant K31A in complex with NADP+ and epi-testosterone Descriptor: (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, 3(17)alpha-hydroxysteroid dehydrogenase, ... Authors: Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Lemieux, M, Luu-the, V, Labrie, F, Breton, R. Deposit date: 2006-10-12 Release date: 2007-06-19 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding. J.Mol.Biol., 369, 2007
5I71	X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site Descriptor: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ... Authors: Coleman, J.A, Green, E.M, Gouaux, E. Deposit date: 2016-02-16 Release date: 2016-04-13 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (3.15 Å) Cite: X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
1SF7	BINDING OF TETRA-N-ACETYLCHITOTETRAOSE TO HEW LYSOZYME: A POWDER DIFFRACTION STUDY Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME Authors: Von Dreele, R.B. Deposit date: 2004-02-19 Release date: 2004-03-02 Last modified: 2024-10-16 Method: POWDER DIFFRACTION Cite: Binding of N-acetylglucosamine oligosaccharides to hen egg-white lysozyme: a powder diffraction study. Acta Crystallogr.,Sect.D, 61, 2005
1CG0	STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH HADACIDIN, GDP, 6-PHOSPHORYL-IMP, AND MG2+ Descriptor: 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, HADACIDIN, ... Authors: Choe, J.Y, Poland, B.W, Fromm, H, Honzatko, R. Deposit date: 1999-03-26 Release date: 1999-06-17 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Mechanistic implications from crystalline complexes of wild-type and mutant adenylosuccinate synthetases from Escherichia coli. Biochemistry, 38, 1999
5I98	Structure of apo FKBP12(P104G) from C. albicans Descriptor: FK506-binding protein 1 Authors: Schumacher, M.A. Deposit date: 2016-02-19 Release date: 2016-09-14 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.999 Å) Cite: Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function. Mbio, 7, 2016
1SFB	BINDING OF PENTA-N-ACETYLCHITOPENTAOSE TO HEW LYSOZYME: A POWDER DIFFRACTION STUDY Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME Authors: Von Dreele, R.B. Deposit date: 2004-02-19 Release date: 2004-03-02 Last modified: 2024-10-16 Method: POWDER DIFFRACTION Cite: Binding of N-acetylglucosamine oligosaccharides to hen egg-white lysozyme: a powder diffraction study. Acta Crystallogr.,Sect.D, 61, 2005
5I09	tRNA guanine transglycosylase (TGT) in soaked complex with Furanoside-Based lin-Benzoguanine 3 Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors To be Published
6YUE	Fragment of nitrate/nitrite sensor histidine kinase NarQ (R50S variant) Descriptor: Nitrate/nitrite sensor protein NarQ Authors: Gushchin, I, Melnikov, I, Polovinkin, V, Yuzhakova, A, Gordeliy, V. Deposit date: 2020-04-27 Release date: 2020-05-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Sensor Histidine Kinase NarQ Activates via Helical Rotation, Diagonal Scissoring, and Eventually Piston-Like Shifts. Int J Mol Sci, 21, 2020
6K5P	Structure of mosquito-larvicidal Binary toxin receptor, Cqm1 Descriptor: ACETATE ION, Binary toxin receptor protein, CADMIUM ION, ... Authors: Kumar, V, Sharma, M. Deposit date: 2019-05-30 Release date: 2019-09-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.805 Å) Cite: Crystal structure of BinAB toxin receptor (Cqm1) protein and molecular dynamics simulations reveal the role of unique Ca(II) ion. Int.J.Biol.Macromol., 140, 2019
1SJ2	Crystal structure of Mycobacterium tuberculosis catalase-peroxidase Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase/catalase T Authors: Bertrand, T, Eady, N.A.J, Jones, J.N, Bodiguel, J, Jesmin, Nagy, J.M, Raven, E.L, Jamart-Gregoire, B, Brown, K.A. Deposit date: 2004-03-02 Release date: 2004-07-20 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Crystal Structure of Mycobacterium tuberculosis Catalase-Peroxidase. J.Biol.Chem., 279, 2004
3M26	Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... Authors: Meharenna, Y.T, Poulos, T.L. Deposit date: 2010-03-06 Release date: 2010-05-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate. Biochemistry, 49, 2010
3M2I	Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... Authors: Meharenna, Y.T, Poulos, T.L. Deposit date: 2010-03-07 Release date: 2010-05-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate. Biochemistry, 49, 2010
5I06	tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 1,2-ETHANEDIOL, 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors To be Published

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