5KVL
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![BU of 5kvl by Molmil](/molmil-images/mine/5kvl) | Humanized 10G4 anti-leukotriene C4 antibody Fab fragment in complex with leukotriene C4 | Descriptor: | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Huxford, T, King, A, Fleming, J.K, Wojciak, J.M. | Deposit date: | 2016-07-14 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Humanized 10G4 anti-leukotriene C4 antibody Fab fragment in complex with leukotriene C4 To Be Published
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1IKN
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![BU of 1ikn by Molmil](/molmil-images/mine/1ikn) | IKAPPABALPHA/NF-KAPPAB COMPLEX | Descriptor: | PROTEIN (I-KAPPA-B-ALPHA), PROTEIN (NF-KAPPA-B P50D SUBUNIT), PROTEIN (NF-KAPPA-B P65 SUBUNIT) | Authors: | Huxford, T, Huang, D.-B, Malek, S, Ghosh, G. | Deposit date: | 1998-11-13 | Release date: | 1999-04-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of the IkappaBalpha/NF-kappaB complex reveals mechanisms of NF-kappaB inactivation. Cell(Cambridge,Mass.), 95, 1998
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1MY5
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![BU of 1my5 by Molmil](/molmil-images/mine/1my5) | NF-kappaB p65 subunit dimerization domain homodimer | Descriptor: | NF-kappaB p65 (RelA) subunit | Authors: | Huxford, T, Mishler, D, Phelps, C.B, Huang, D.-B, Sengchanthalangsy, L.L, Reeves, R, Hughes, C.A, Komives, E.A, Ghosh, G. | Deposit date: | 2002-10-03 | Release date: | 2002-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Solvent exposed non-contacting amino acids play a critical role in NF-kappaB/I kappaB alpha complex formation J.Mol.Biol., 324, 2002
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1MY7
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![BU of 1my7 by Molmil](/molmil-images/mine/1my7) | NF-kappaB p65 subunit dimerization domain homodimer N202R mutation | Descriptor: | NF-kappaB p65 (RelA) subunit | Authors: | Huxford, T, Mishler, D, Phelps, C.B, Huang, D.-B, Sengchanthalangsy, L.L, Reeves, R, Hughes, C.A, Komives, E.A, Ghosh, G. | Deposit date: | 2002-10-03 | Release date: | 2002-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Solvent exposed non-contacting amino acids play a critical role in NF-kappaB/IkappaB alpha complex formation J.Mol.Biol., 324, 2002
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3I9G
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![BU of 3i9g by Molmil](/molmil-images/mine/3i9g) | |
6NL6
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![BU of 6nl6 by Molmil](/molmil-images/mine/6nl6) | Crystal structure of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) | Descriptor: | CHLORIDE ION, Immunoglobulin G-binding protein G, ZINC ION | Authors: | Huxford, T, Stec, B, Maniaci, B. | Deposit date: | 2019-01-08 | Release date: | 2019-01-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design of High-Affinity Metal-Controlled Protein Dimers. Biochemistry, 58, 2019
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9BOR
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![BU of 9bor by Molmil](/molmil-images/mine/9bor) | IkappaBzeta ankyrin repeat domain:NF-kappaB p50 homodimer complex at 2.0 Angstrom resolution | Descriptor: | (2R,3S)-heptane-1,2,3-triol, NF-kappa-B inhibitor zeta, Nuclear factor NF-kappa-B p50 subunit | Authors: | Rogers, W.E, Zhu, N, Huxford, T. | Deposit date: | 2024-05-05 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structural and biochemical analyses of the nuclear I kappa B zeta protein in complex with the NF-kappa B p50 homodimer. Genes Dev., 38, 2024
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8EXW
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![BU of 8exw by Molmil](/molmil-images/mine/8exw) | Drosophila melanogaster indirect flight muscle myosin II (subfragment-1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Isoform K of Myosin heavy chain, muscle, ... | Authors: | Caldwell, J.T, Huxford, T, Bernstein, S.I, Stec, B. | Deposit date: | 2022-10-25 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Drosophila melanogaster indirect flight muscle myosin II (subfragment-1) To Be Published
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6VRT
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![BU of 6vrt by Molmil](/molmil-images/mine/6vrt) | |
5W1A
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![BU of 5w1a by Molmil](/molmil-images/mine/5w1a) | The first X-ray crystal structure of an insect muscle myosin. Drosophila melanogaster, skeletal muscle myosin II, an embryonic isoform, subfragment-1 | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, GLYCEROL, ... | Authors: | Caldwell, J.T, Bernstein, S.I, Huxford, T. | Deposit date: | 2017-06-02 | Release date: | 2018-06-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | X-ray crystallographic and molecular dynamic analyses of Drosophila melanogaster embryonic muscle myosin define domains responsible for isoform-specific properties. J.Mol.Biol., 2019
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1BFT
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![BU of 1bft by Molmil](/molmil-images/mine/1bft) | |
1BFS
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![BU of 1bfs by Molmil](/molmil-images/mine/1bfs) | |
1K3Z
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![BU of 1k3z by Molmil](/molmil-images/mine/1k3z) | X-ray crystal structure of the IkBb/NF-kB p65 homodimer complex | Descriptor: | Transcription factor p65, transcription factor inhibitor I-kappa-B-beta | Authors: | Shiva, M, Huang, D.B, Chen, Y, Huxford, T, Ghosh, S, Ghosh, G. | Deposit date: | 2001-10-04 | Release date: | 2002-10-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray crystal structure of an IkappaBbeta x NF-kappaB p65 homodimer complex. J.Biol.Chem., 278, 2003
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4ZF8
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![BU of 4zf8 by Molmil](/molmil-images/mine/4zf8) | Cytochrome P450 pentamutant from BM3 with bound Metyrapone | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, METYRAPONE, NICKEL (II) ION, ... | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | Deposit date: | 2015-04-21 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.766 Å) | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
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4ZFB
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![BU of 4zfb by Molmil](/molmil-images/mine/4zfb) | Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid | Descriptor: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | Deposit date: | 2015-04-21 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
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4ZFA
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![BU of 4zfa by Molmil](/molmil-images/mine/4zfa) | Cytochrome P450 wild type from BM3 with bound PEG | Descriptor: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | Deposit date: | 2015-04-21 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.765 Å) | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
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4ZF6
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![BU of 4zf6 by Molmil](/molmil-images/mine/4zf6) | Cytochrome P450 pentamutant from BM3 with bound PEG | Descriptor: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | Deposit date: | 2015-04-21 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.773 Å) | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
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3NOW
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![BU of 3now by Molmil](/molmil-images/mine/3now) | UNC-45 from Drosophila melanogaster | Descriptor: | UNC-45 protein, SD10334p | Authors: | Lee, C.F, Hauenstein, A.V, Fleming, J.K, Gasper, W.C, Engelke, V, Banumathi, S, Bernstein, S.I, Huxford, T. | Deposit date: | 2010-06-25 | Release date: | 2011-03-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.992 Å) | Cite: | X-ray Crystal Structure of the UCS Domain-Containing UNC-45 Myosin Chaperone from Drosophila melanogaster. Structure, 19, 2011
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3PMZ
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![BU of 3pmz by Molmil](/molmil-images/mine/3pmz) | Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine | Descriptor: | (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium, MAGNESIUM ION, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Yamauchi, J.G, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | Deposit date: | 2010-11-18 | Release date: | 2011-10-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies To be Published
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3PEO
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![BU of 3peo by Molmil](/molmil-images/mine/3peo) | Crystal structure of acetylcholine binding protein complexed with metocurine | Descriptor: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | Deposit date: | 2010-10-27 | Release date: | 2011-10-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics To be Published
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8VHC
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![BU of 8vhc by Molmil](/molmil-images/mine/8vhc) | Crystal Structure of Human IDH1 R132Q in complex with NADPH | Descriptor: | GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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8VHA
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![BU of 8vha by Molmil](/molmil-images/mine/8vha) | Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate | Descriptor: | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, 2-OXOGLUTARIC ACID, CALCIUM ION, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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8VHE
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![BU of 8vhe by Molmil](/molmil-images/mine/8vhe) | Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct | Descriptor: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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8VH9
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![BU of 8vh9 by Molmil](/molmil-images/mine/8vh9) | Crystal Structure of Human IDH1 R132Q in complex with NADPH | Descriptor: | CITRIC ACID, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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8VHD
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![BU of 8vhd by Molmil](/molmil-images/mine/8vhd) | Crystal Structure of Human IDH1 R132Q in complex with NADPH and Isocitrate | Descriptor: | CALCIUM ION, GLYCEROL, IODIDE ION, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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