5QI3
 
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000475a | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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2Z7I
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742 | | Descriptor: | (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-08-23 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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4CC1
 | | Notch ligand, Jagged-1, contains an N-terminal C2 domain | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M. | | Deposit date: | 2013-10-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands
Cell Rep., 5, 2013
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4C7A
 | | Crystal structure of the Smoothened CRD, selenomethionine-labeled | | Descriptor: | SMOOTHENED, SODIUM ION, ZINC ION | | Authors: | Nachtergaele, S, Whalen, D.M, Mydock, L.K, Zhao, Z, Malinauskas, T, Krishnan, K, Ingham, P.W, Covey, D.F, Rohatgi, R, Siebold, C. | | Deposit date: | 2013-09-20 | | Release date: | 2013-11-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Function of the Smoothened Extracellular Domain in Vertebrate Hedgehog Signaling
Elife, 2, 2013
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4BQX
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2ZBH
 | | Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution | | Descriptor: | (2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Damodar, N.C, Jain, R, Singh, N, Sharma, S, Kaur, P, Haridas, M, Srinivasan, A, Singh, T.P. | | Deposit date: | 2007-10-20 | | Release date: | 2007-11-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution
To be Published
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2HKF
 | | Crystal structure of the Complex Fab M75- Peptide | | Descriptor: | Carbonic anhydrase 9, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment | | Authors: | Kral, V, Mader, P, Stouracova, R, Fabry, M, Horejsi, M, Brynda, J. | | Deposit date: | 2006-07-04 | | Release date: | 2007-11-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
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2Z46
 | | Crystal Structure of Native-ORF134 | | Descriptor: | ORF134 | | Authors: | Tomimoto, Y, Ihara, K, Onizuka, T, Kanai, S, Ashida, H, Yokota, A, Tanaka, S, Miyasaka, H, Yamada, Y, Kato, R, Wakatsuki, S. | | Deposit date: | 2007-06-12 | | Release date: | 2008-06-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal Structure of ORF134
To be Published
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1IQR
 | | Crystal structure of DNA photolyase from Thermus thermophilus | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, photolyase | | Authors: | Komori, H, Masui, R, Kuramitsu, S, Yokoyama, S, Shibata, T, Inoue, Y, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-07-27 | | Release date: | 2001-11-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of thermostable DNA photolyase: pyrimidine-dimer recognition mechanism.
Proc.Natl.Acad.Sci.USA, 98, 2001
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2Z4W
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749 | | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) | | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-06-26 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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1IV5
 | | New Crystal Form of Human CD81 Large Extracellular Loop. | | Descriptor: | CD81 antigen | | Authors: | Kitadokoro, K, Bolognesi, M, Grandi, G, Marco, P, Galli, G, Petracca, R, Fabiana, F. | | Deposit date: | 2002-03-14 | | Release date: | 2003-01-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Subunit Association and Conformational Flexibility in the Head-subdomain of Human CD81 Large Extracellular Loop.
Biol.Chem., 383, 2002
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4CC4
 | | Complex of InlC of Listeria monocytogenes and human Tuba C-terminal SH3 domain | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, DYNAMIN-BINDING PROTEIN, ... | | Authors: | Polle, L, Rigano, L, Julian, R, Ireton, K, Schubert, W.-D. | | Deposit date: | 2013-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Details of Human Tuba Recruitment by Inlc of Listeria Monocytogenes Elucidate Bacterial Cell-Cell Spreading.
Structure, 22, 2014
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1IZQ
 | | F46V mutant of bovine pancreatic ribonuclease A | | Descriptor: | RIBONUCLEASE A | | Authors: | Kadonosono, T, Chatani, E, Hayashi, R, Moriyama, H, Ueki, T. | | Deposit date: | 2002-10-11 | | Release date: | 2003-11-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Minimization of cavity size ensures protein stability and folding: structures of Phe46-replaced bovine pancreatic RNase A
Biochemistry, 42, 2003
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1A19
 | | BARSTAR (FREE), C82A MUTANT | | Descriptor: | BARSTAR | | Authors: | Ratnaparkhi, G.S, Varadarajan, R. | | Deposit date: | 1997-12-25 | | Release date: | 1998-04-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Discrepancies between the NMR and X-ray structures of uncomplexed barstar: analysis suggests that packing densities of protein structures determined by NMR are unreliable.
Biochemistry, 37, 1998
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5QHS
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FF000014a | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridin-2-one, Protein FAM83B | | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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1J05
 | | The crystal structure of anti-carcinoembryonic antigen monoclonal antibody T84.66 Fv fragment | | Descriptor: | GLYCEROL, PHOSPHATE ION, anti-CEA mAb T84.66, ... | | Authors: | Kondo, H, Nishimura, Y, Shiroishi, M, Asano, R, Noro, N, Tsumoto, K, Kumagai, I. | | Deposit date: | 2002-11-01 | | Release date: | 2003-12-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of anti-carcinoembryonic antigen monoclonal antibody T84.66 Fv fragment
To be Published
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4BN8
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5QI6
 | | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000597a | | Descriptor: | 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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4BO8
 | | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7A resolution | | Descriptor: | 1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, SULFATE ION | | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2013-05-18 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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1IUG
 | | The crystal structure of aspartate aminotransferase which belongs to subgroup IV from Thermus thermophilus | | Descriptor: | PHOSPHATE ION, putative aspartate aminotransferase | | Authors: | Katsura, Y, Shirouzu, M, Yamaguchi, H, Ishitani, R, Nureki, O, Kuramitsu, S, Hayashi, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-03-04 | | Release date: | 2003-11-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a putative aspartate aminotransferase belonging to subgroup IV.
Proteins, 55, 2004
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1A56
 | | PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF FERRICYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA, NMR, MEAN STRUCTURE REFINED WITH EXPLICIT HYDROGEN BOND CONSTRAINTS | | Descriptor: | FERRICYTOCHROME C-552, HEME C | | Authors: | Timkovich, R, Bergmann, D, Arciero, D.M, Hooper, A.B. | | Deposit date: | 1998-02-20 | | Release date: | 1998-10-21 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Primary sequence and solution conformation of ferrocytochrome c-552 from Nitrosomonas europaea.
Biophys.J., 75, 1998
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4BO6
 | | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution | | Descriptor: | 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2013-05-18 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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5QIT
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102821 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(E)-(3-methylphenyl)methylidene]acetamide, ... | | Authors: | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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4BQY
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]alanine | | Descriptor: | (2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid, EGL NINE HOMOLOG 1, FE (II) ION | | Authors: | Chowdhury, R, McDonough, M.A, Yeoh, K.K, Schofield, C.J. | | Deposit date: | 2013-06-03 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
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1A8H
 | | METHIONYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS | | Descriptor: | METHIONYL-TRNA SYNTHETASE, ZINC ION | | Authors: | Sugiura, I, Nureki, O, Ugaji, Y, Kuwabara, S, Lober, B, Giege, R, Moras, D, Yokoyama, S, Konno, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 1998-03-26 | | Release date: | 1999-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0 A crystal structure of Thermus thermophilus methionyl-tRNA synthetase reveals two RNA-binding modules.
Structure, 8, 2000
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