3OF2
| Crystal structure of InhA_T266D:NADH complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L. | Deposit date: | 2010-08-13 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis. Mol.Microbiol., 78, 2010
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1SVG
| Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ALPHA FORM, N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1SVE
| Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 | Descriptor: | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER, N-OCTANOYL-N-METHYLGLUCAMINE, SODIUM ION, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1SVH
| Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1VEB
| Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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6AVJ
| Crystal structure of human Mitochondrial inner NEET protein (MiNT)/CISD3 | Descriptor: | CDGSH iron-sulfur domain-containing protein 3, mitochondrial, FE2/S2 (INORGANIC) CLUSTER | Authors: | Lipper, C.H, Karmi, O, Sohn, Y.S, Darash-Yahana, M, Lammert, H, Song, L, Liu, A, Mittler, R, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | Deposit date: | 2017-09-02 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the human monomeric NEET protein MiNT and its role in regulating iron and reactive oxygen species in cancer cells. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3S2Q
| The crystal structure of AT5g51720 (AT-NEET) | Descriptor: | AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER, ZINC ION | Authors: | Livnah, O, Eisenberg-Domovich, Y, Nechushtai, R. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism. To be Published
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3S2R
| ATChloroNEET (H87C mutant) | Descriptor: | AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER | Authors: | livnah, O, Eisenberg-Domovich, Y, nechushtai, R. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism. To be Published
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8TAC
| Designed DNA binding protein | Descriptor: | DBP48, DNA (5'-D(*AP*CP*CP*TP*GP*AP*CP*GP*CP*GP*A)-3'), DNA (5'-D(*TP*TP*CP*GP*CP*GP*TP*CP*AP*GP*GP)-3') | Authors: | Doyle, L, Stoddard, B.L, Glasscock, C.J, McHugh, R.P, Pecoraro, R.J. | Deposit date: | 2023-06-27 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Designed DNA binding protein To Be Published
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3P63
| Structure of M. laminosus Ferredoxin with a shorter L1,2 loop | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferredoxin | Authors: | Livnah, O, Nechushtai, R, Eisenberg-Domovich, Y, Michaeli, D. | Deposit date: | 2010-10-11 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Allostery in the ferredoxin protein motif does not involve a conformational switch. Proc.Natl.Acad.Sci.USA, 108, 2011
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2QH7
| MitoNEET is a uniquely folded 2Fe-2S outer mitochondrial membrane protein stabilized by pioglitazone | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH-type domain 1 | Authors: | Paddock, M.L, Wiley, S.E, Axelrod, H.L, Cohen, A.E, Roy, M, Abresch, E.C, Capraro, D, Murphy, A.N, Nechushtai, R, Dixon, J.E, Jennings, P.A. | Deposit date: | 2007-06-30 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | MitoNEET is a uniquely folded 2Fe 2S outer mitochondrial membrane protein stabilized by pioglitazone. Proc.Natl.Acad.Sci.Usa, 104, 2007
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3LPQ
| Human MitoNEET with 2Fe-2S Coordinating Ligand His 87 Replaced With Cys | Descriptor: | CDGSH iron sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Conlan, A.R, Homer, C, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Zuris, J, Nechushtai, R, Paddock, M.L, Jennings, P.A. | Deposit date: | 2010-02-05 | Release date: | 2011-06-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mutation of the His ligand in mitoNEET stabilizes the 2Fe-2S cluster despite conformational heterogeneity in the ligand environment. Acta Crystallogr.,Sect.D, 67, 2011
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3EW0
| The novel 2Fe-2S outer mitochondrial protein mitoNEET displays conformational flexibility in its N-terminal cytoplasmic tethering domain | Descriptor: | CDGSH iron sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Conlan, A.R, Paddock, M.L, Wiley, S, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Roy, M, Nechushtai, R, Jennings, P.A. | Deposit date: | 2008-10-13 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The novel 2Fe-2S outer mitochondrial protein mitoNEET displays conformational flexibility in its N-terminal cytoplasmic tethering domain. Acta Crystallogr.,Sect.F, 65, 2009
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3FNV
| Crystal Structure of Miner1: The Redox-active 2Fe-2S Protein Causative in Wolfram Syndrome 2 | Descriptor: | CDGSH iron sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER | Authors: | Conlan, A.R, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Yee, D, Zuris, J, Nechushtai, R, Jennings, P.A, Paddock, M.L. | Deposit date: | 2008-12-26 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Miner1: The redox-active 2Fe-2S protein causative in Wolfram Syndrome 2. J.Mol.Biol., 392, 2009
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4M4D
| Crystal structure of lipopolysaccharide binding protein | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipopolysaccharide-binding protein | Authors: | Eckert, J.K, Kim, Y.J, Kim, J.I, Gurtler, K, Oh, D.Y, Ploeg, A.H, Pickkers, P, Lundvall, L, Hamann, L, Giamarellos-Bourboulis, E, Kubarenko, A.V, Weber, A.N, Kabesch, M, Kumpf, O, An, H.J, Lee, J.O, Schumann, R.R. | Deposit date: | 2013-08-07 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.909 Å) | Cite: | The crystal structure of lipopolysaccharide binding protein reveals the location of a frequent mutation that impairs innate immunity. Immunity, 39, 2013
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6H1E
| Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide | Descriptor: | HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ... | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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6H1D
| Crystal structure of C21orf127-TRMT112 in complex with SAH | Descriptor: | HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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1K4W
| X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation | Descriptor: | Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1 | Authors: | Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P. | Deposit date: | 2001-10-09 | Release date: | 2002-04-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation. EMBO J., 20, 2001
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2AGT
| Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A. | Deposit date: | 2005-07-27 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex J.Med.Chem., 48, 2005
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2K35
| Hydramacin-1: Structure and antibacterial activity of a peptide from the basal metazoan Hydra | Descriptor: | hydramacin-1 | Authors: | Jung, S, Dingley, A.J, Stanisak, M, Gelhaus, C, Bosch, T, Podschun, R, Leippe, M, Gr tzinger, J. | Deposit date: | 2008-04-22 | Release date: | 2008-11-18 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Hydramacin-1, structure and antibacterial activity of a protein from the Basal metazoan hydra. J.Biol.Chem., 284, 2009
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1N4H
| Characterization of ligands for the orphan nuclear receptor RORbeta | Descriptor: | Nuclear Receptor ROR-beta, RETINOIC ACID, Steroid Receptor Coactivator-1 | Authors: | Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R. | Deposit date: | 2002-10-31 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta Nat.Struct.Biol., 10, 2003
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1PR9
| Human L-Xylulose Reductase Holoenzyme | Descriptor: | DIHYDROGENPHOSPHATE ION, L-XYLULOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El-Kabbani, O, Ishikura, S, Darmanin, C, Carbone, V, Chung, R.P.-T, Usami, N, Hara, A. | Deposit date: | 2003-06-20 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of human L-xylulose reductase holoenzyme: probing the role of Asn107 with site-directed mutagenesis Proteins, 55, 2004
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1RFK
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1NQ7
| Characterization of ligands for the orphan nuclear receptor RORbeta | Descriptor: | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-2,4,6-TRIENOIC ACID, NUCLEAR RECEPTOR ROR-BETA, STEROID RECEPTOR COACTIVATOR-1 | Authors: | Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R. | Deposit date: | 2003-01-21 | Release date: | 2003-09-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta Nat.Struct.Biol., 10, 2003
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2LN8
| The solution structure of theromacin | Descriptor: | Theromacin | Authors: | Jung, S, Soennichsen, F.D, Hung, C.-W, Tholey, A, Boidin-Wichlacz, C, Hausgen, W, Gelhaus, C, Desel, C, Podschun, R, Watzig, V, Tasiemski, A, Leippe, M, Groetzinger, J. | Deposit date: | 2011-12-20 | Release date: | 2012-03-14 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Macin family of antimicrobial proteins combines antimicrobial and nerve repair activities. J.Biol.Chem., 287, 2012
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