1JBE
 
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5EG7
 | | The cap binding site of influenza virus protein PB2 as a drug target | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, Polymerase basic protein 2 | | Authors: | Severin, C, Rocha de Moura, T, Liu, Y, Li, K, Zheng, X, Luo, M. | | Deposit date: | 2015-10-26 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The cap-binding site of influenza virus protein PB2 as a drug target.
Acta Crystallogr D Struct Biol, 72, 2016
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7RED
 | | Holo Hemophilin from A. baumannii | | Descriptor: | Hemophilin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bateman, T.J, Shah, M, Moraes, T.F. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
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1JCA
 | | Non-standard Design of Unstable Insulin Analogues with Enhanced Activity | | Descriptor: | ZINC ION, insulin a, insulin b | | Authors: | Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G. | | Deposit date: | 2001-06-08 | | Release date: | 2001-06-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
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6Q57
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5EG8
 | | The cap binding site of influenza virus protein PB2 as a drug target | | Descriptor: | Polymerase basic protein 2, THIOCYANATE ION | | Authors: | Liu, Y, Zheng, X, Severin, C, Rocha de Moura, T, Li, K, Luo, M. | | Deposit date: | 2015-10-26 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The cap-binding site of influenza virus protein PB2 as a drug target.
Acta Crystallogr D Struct Biol, 72, 2016
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | Deposit date: | 2015-10-27 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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1J9V
 | | Solution structure of a lactam analogue (DabD) of HIV gp41 600-612 loop. | | Descriptor: | DabD (Ace)IWG(DAB)SGKLIDTTA ANALOGUE OF HIV GP41 | | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | | Deposit date: | 2001-05-29 | | Release date: | 2003-07-01 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
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5EH0
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-27 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
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6QBW
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5EL8
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5T23
 | | PI3Kg IN COMPLEX WITH 5d | | Descriptor: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2B
 | | mPI3Kd IN COMPLEX WITH 5e | | Descriptor: | 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5JWU
 | | T4 Lysozyme L99A/M102Q with 1,2-Dihydro-1,2-azaborine Bound | | Descriptor: | 1,2-dihydro-1,2-azaborinine, CHLORIDE ION, Endolysin | | Authors: | Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y. | | Deposit date: | 2016-05-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
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5JRM
 | | Crystal Structure of a Xylanase at 1.56 Angstroem resolution | | Descriptor: | Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION | | Authors: | Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2016-05-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal Structure of a Xylanase at 1.56 Angstroem resolution
To Be Published
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5T2I
 | | mPI3Kd IN COMPLEX WITH 7k | | Descriptor: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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7RE4
 | | Apo Hemophilin from A. baumannii | | Descriptor: | Hemophilin | | Authors: | Bateman, T.J, Shah, M, Moraes, T.F. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
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5T2V
 | | Crystal structure of MSMEG_6753 a putative betaketoacyl-ACP reductase | | Descriptor: | MAGNESIUM ION, Oxidoreductase, short chain dehydrogenase/reductase family protein | | Authors: | Blaise, M, Van Wyk, N, Baneres-Roquet, F, Guerardel, Y, Kremer, L. | | Deposit date: | 2016-08-24 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding of NADP(+) triggers an open-to-closed transition in a mycobacterial FabG beta-ketoacyl-ACP reductase.
Biochem. J., 474, 2017
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5EIO
 | | Crystal structure of LysY from Thermus thermophilus complexed with NADP+ and LysW-gamma-aminoadipic semialdehyde | | Descriptor: | ACETIC ACID, N-acetyl-gamma-glutamyl-phosphate/N-acetyl-gamma-aminoadipyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Shimizu, T, Tomita, T, Nishiyama, M. | | Deposit date: | 2015-10-30 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the LysYLysW Complex from Thermus thermophilus.
J.Biol.Chem., 291, 2016
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1JC0
 | | CRYSTAL STRUCTURE ANALYSIS OF A REDOX-SENSITIVE GREEN FLUORESCENT PROTEIN VARIANT IN A REDUCED FORM | | Descriptor: | GREEN FLUORESCENT PROTEIN | | Authors: | Hanson, G.T, Aggeler, R, Oglesbee, D, Cannon, M, Capaldi, R.A, Tsien, R.Y, Remington, S.J. | | Deposit date: | 2001-06-07 | | Release date: | 2003-09-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Investigating mitochondrial redox potential with redox-sensitive green fluorescent protein indicators.
J.Biol.Chem., 279, 2004
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1AOE
 | | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345) | | Descriptor: | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Whitlow, M, Howard, A.J, Stewart, D. | | Deposit date: | 1997-07-02 | | Release date: | 1998-01-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex.
J.Biol.Chem., 272, 1997
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5T2C
 | | CryoEM structure of the human ribosome at 3.6 Angstrom resolution | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | | Authors: | Zhang, X, Lai, M, Zhou, Z.H. | | Deposit date: | 2016-08-23 | | Release date: | 2017-01-25 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures and stabilization of kinetoplastid-specific split rRNAs revealed by comparing leishmanial and human ribosomes.
Nat Commun, 7, 2016
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7QAM
 | | Three-dimensional structure of the PGAM5 WT TMD | | Descriptor: | Serine/threonine-protein phosphatase PGAM5, mitochondrial | | Authors: | Silber, M, Muhle-Goll, C. | | Deposit date: | 2021-11-17 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Cleavage of mitochondrial homeostasis regulator PGAM5 by the intramembrane protease PARL is governed by transmembrane helix dynamics and oligomeric state.
J.Biol.Chem., 298, 2022
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5T93
 | | Immunoglobulin light chain variable domain AL-T05 | | Descriptor: | ACETATE ION, ALT-05 immunoglobulin light chain variable domain from light chain amyloidosis patient, ZINC ION | | Authors: | Ramirez-Alvarado, M, Blancas-Mejia, L.M. | | Deposit date: | 2016-09-09 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differences in Protein Concentration Dependence for Nucleation and Elongation in Light Chain Amyloid Formation.
Biochemistry, 56, 2017
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1B6X
 | | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE GUANINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS, 4 STRUCTURES | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*GP*GP*TP*AP*CP*G)-3' | | Authors: | Cullinan, D, Johnson, F, Grollman, A.P, Eisenberg, M, De Los Santos, C. | | Deposit date: | 1999-01-19 | | Release date: | 1999-01-27 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite 2'-deoxyguanosine.
Biochemistry, 36, 1997
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