1T2C
| Plasmodium falciparum lactate dehydrogenase complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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1TKP
| Iron-oxo clusters biomineralizing on protein surfaces. Structural analysis of H.salinarum DpsA in its low and high iron states | Descriptor: | FE (III) ION, Iron-rich dpsA-homolog protein, SODIUM ION, ... | Authors: | Zeth, K, Offermann, S, Essen, L.O, Oesterhelt, D. | Deposit date: | 2004-06-09 | Release date: | 2004-10-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Iron-oxo clusters biomineralizing on protein surfaces: structural analysis of Halobacterium salinarum DpsA in its low- and high-iron states. Proc.Natl.Acad.Sci.USA, 101, 2004
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5FZI
| Crystal structure of the catalytic domain of human JARID1B in complex with MC3095 | Descriptor: | 1,2-ETHANEDIOL, 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid, CHLORIDE ION, ... | Authors: | Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3095 To be Published
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1T4P
| Arginase-dehydro-ABH complex | Descriptor: | Arginase 1, MANGANESE (II) ION, [(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-) | Authors: | Cama, E, Pethe, S, Boucher, J.-L, Han, S, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W. | Deposit date: | 2004-04-30 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibitor coordination interactions in the binuclear manganese cluster of arginase Biochemistry, 43, 2004
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4L54
| Structure of cytochrome P450 OleT, ligand-free | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Terminal olefin-forming fatty acid decarboxylase | Authors: | Leys, D. | Deposit date: | 2013-06-10 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE (CYP152L1) from the Jeotgalicoccus sp. 8456 Bacterium. J.Biol.Chem., 289, 2014
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5FTY
| Structure of surface layer protein SbsC, domains 6-7 (monoclinic form) | Descriptor: | CALCIUM ION, SURFACE LAYER PROTEIN | Authors: | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | Deposit date: | 2016-01-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Surface Layer Protein Sbsc, Domains 6-7 (Monoclinic Form) To be Published
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1WRR
| Urate oxidase from aspergillus flavus complexed with 5-amino 6-nitro uracil | Descriptor: | 5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE, Uricase | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | Deposit date: | 2004-10-27 | Release date: | 2005-03-22 | Last modified: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. Acta Crystallogr.,Sect.D, 61, 2005
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1WS3
| Urate oxidase from aspergillus flavus complexed with uracil | Descriptor: | URACIL, Uricase | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | Deposit date: | 2004-10-29 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. Acta Crystallogr.,Sect.D, 61, 2005
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1Q62
| PKA double mutant model of PKB | Descriptor: | cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-08-12 | Release date: | 2003-09-30 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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5BZX
| Crystal structure of human phosphatase PTEN treated with a bisperoxovanadium complex | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, VANADATE ION | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | Deposit date: | 2015-06-11 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes. Angew.Chem.Int.Ed.Engl., 54, 2015
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5C3J
| Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with Ubiquinone-1 | Descriptor: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-06-17 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria To Be Published
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5C7C
| Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | Descriptor: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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1Q24
| PKA double mutant model of PKB in complex with MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent Protein Kinase Inhibitor, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-07-23 | Release date: | 2003-08-19 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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5QU1
| Crystal Structure of the monomeric human Nck SH3.1 domain, triclinic, 1.08A | Descriptor: | Cytoplasmic protein NCK1, SULFATE ION | Authors: | Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2019-12-13 | Release date: | 2020-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain. J.Biol.Chem., 295, 2020
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5QU5
| Domain Swap in the first SH3 domain of human Nck1 | Descriptor: | Cytoplasmic protein NCK1 | Authors: | Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2019-12-13 | Release date: | 2020-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain. J.Biol.Chem., 295, 2020
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5C79
| PH domain of ASAP1 in complex with diC4-PtdIns(4,5)P2 | Descriptor: | (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, Arf-GAP, CHLORIDE ION | Authors: | Xia, D, Tang, W.K. | Deposit date: | 2015-06-24 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular Basis for Cooperative Binding of Anionic Phospholipids to the PH Domain of the Arf GAP ASAP1. Structure, 23, 2015
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3LEY
| 2F5 Epitope scaffold elicited anti-HIV-1 monoclonal antibody 6a7 in complex with HIV-1 GP41 | Descriptor: | 6a7 Antibody Heavy Chain, 6a7 Antibody Light Chain, Envelope glycoprotein gp41, ... | Authors: | Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D. | Deposit date: | 2010-01-15 | Release date: | 2010-09-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Elicitation of structure-specific antibodies by epitope scaffolds. Proc.Natl.Acad.Sci.USA, 107, 2010
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5CBU
| Human Cyclophilin D Complexed with Inhibitor. | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor. To Be Published
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5CC9
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1WDL
| fatty acid beta-oxidation multienzyme complex from Pseudomonas fragi, form II (native4) | Descriptor: | 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, ... | Authors: | Ishikawa, M, Tsuchiya, D, Oyama, T, Tsunaka, Y, Morikawa, K. | Deposit date: | 2004-05-17 | Release date: | 2004-07-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis for channelling mechanism of a fatty acid beta-oxidation multienzyme complex Embo J., 23, 2004
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1WH7
| Solution structure of homeobox domain of Arabidopsis thaliana hypothetical protein F22K18.140 | Descriptor: | ZF-HD homeobox family protein | Authors: | Kaneno, D, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-28 | Release date: | 2004-11-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of homeobox domain of Arabidopsis thaliana hypothetical protein F22K18.140 To be Published
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1WRI
| Crystal Structure of Ferredoxin isoform II from E. arvense | Descriptor: | BENZAMIDINE, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin II | Authors: | Kurisu, G, Nishiyama, D, Kusunoki, M, Fujikawa, S, Katoh, M, Hanke, G.T, Hase, T, Teshima, K. | Deposit date: | 2004-10-18 | Release date: | 2004-11-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A structural basis of Equisetum arvense ferredoxin isoform II producing an alternative electron transfer with ferredoxin-NADP+ reductase. J.Biol.Chem., 280, 2005
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3OSJ
| X-Ray Structure of Phycobilisome LCM core-membrane linker polypeptide (fragment 254-400) from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR209C | Descriptor: | NITRATE ION, Phycobilisome LCM core-membrane linker polypeptide, SODIUM ION | Authors: | Kuzin, A, Su, M, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-09-09 | Release date: | 2010-10-06 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Northeast Structural Genomics Consortium Target SgR209C To be published
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1WUT
| Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes | Descriptor: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E. | Deposit date: | 2004-12-08 | Release date: | 2005-12-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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5F9B
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