7RUE
| DAHP synthase complexed with trifluoropyruvate semicarbazone | Descriptor: | (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid, MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, ... | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | Deposit date: | 2021-08-16 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition. Acs Infect Dis., 7, 2021
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5MH6
| D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution) | Descriptor: | 1,2-ETHANEDIOL, 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, ... | Authors: | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | Deposit date: | 2016-11-23 | Release date: | 2018-06-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism To Be Published
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8VKA
| Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 9c | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-01-08 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors. J.Med.Chem., 67, 2024
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8VKB
| Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 10b | Descriptor: | CHLORIDE ION, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-01-08 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors. J.Med.Chem., 67, 2024
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3GTT
| Mouse SOD1 | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | Deposit date: | 2009-03-28 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras. Arch.Biochem.Biophys., 503, 2010
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5MER
| Human Leukocyte Antigen A02 presenting ILAKFLHEL | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | Deposit date: | 2016-11-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase. J. Biol. Chem., 292, 2017
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7RYV
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7RYU
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3GZQ
| HUMAN SOD1 A4V Metal-free Variant | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn] | Authors: | Galaleldeen, A, Taylor, A.B, Whitson, L.J, Hart, P.J. | Deposit date: | 2009-04-07 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A. Arch.Biochem.Biophys., 492, 2009
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7SC1
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3GZP
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3H7P
| Crystal structure of K63-linked di-ubiquitin | Descriptor: | CADMIUM ION, Ubiquitin | Authors: | Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J. | Deposit date: | 2009-04-28 | Release date: | 2009-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Lys-63-linked tri- and di-ubiquitin reveal a highly extended chain architecture. Proteins, 77, 2009
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5MTP
| Crystal structure of M. tuberculosis InhA inhibited by PT514 | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | Deposit date: | 2017-01-10 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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7SFQ
| EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium at pH 8.0 | Descriptor: | Multidrug transporter EmrE, tetrakis(4-fluorophenyl)phosphanium | Authors: | Shcherbakov, A.A, Spreacker, P.J, Dregni, A.J, Henzler-Wildman, K.A, Hong, M. | Deposit date: | 2021-10-04 | Release date: | 2022-03-02 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | High-pH structure of EmrE reveals the mechanism of proton-coupled substrate transport. Nat Commun, 13, 2022
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5MU8
| HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525 | Descriptor: | Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | Authors: | Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J. | Deposit date: | 2017-01-12 | Release date: | 2017-03-29 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction. J. Med. Chem., 60, 2017
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1U53
| Novel X-Ray Structure of Na-ASP-2, a PR-1 protein from the nematode parasite Necator americanus and a vaccine antigen for human hookworm infection | Descriptor: | secreted protein ASP-2 | Authors: | Asojo, O.A, Goud, G, Dhar, K, Loukas, A, Zhan, B, Deumic, V, Liu, S, Borgstahl, G.E.O, Hotez, P.J. | Deposit date: | 2004-07-26 | Release date: | 2005-02-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | X-ray structure of Na-ASP-2, a pathogenesis-related-1 protein from the nematode parasite, Necator americanus, and a vaccine antigen for human hookworm infection. J.Mol.Biol., 346, 2005
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3H2P
| Human SOD1 D124V Variant | Descriptor: | ACETYL GROUP, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Carroll, M.C, Culotta, V.C, Hart, P.J. | Deposit date: | 2009-04-14 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of Pathogenic SOD1 Mutants H80R and D124V: Disrupted Zinc-binding
and Compromised Post-translational Modification by the Copper Chaperone CCS To be Published
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3H7U
| Crystal structure of the plant stress-response enzyme AKR4C9 | Descriptor: | ACETATE ION, Aldo-keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | White, S.A, Simpson, P.J, Ride, J.P. | Deposit date: | 2009-04-28 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress. J.Mol.Biol., 392, 2009
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7KNR
| The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558 | Descriptor: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W. | Deposit date: | 2020-11-05 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558 To Be Published
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1S44
| The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Crustacyanin A1 subunit, GLYCEROL, ... | Authors: | Habash, J, Helliwell, J.R, Raftery, J, Cianci, M, Rizkallah, P.J, Chayen, N.E, Nneji, G.A, Zagalsky, P.F. | Deposit date: | 2004-01-15 | Release date: | 2004-04-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure and refinement of apocrustacyanin C2 to 1.3 A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1. Acta Crystallogr.,Sect.D, 60, 2004
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7KNY
| The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528 | Descriptor: | 2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W. | Deposit date: | 2020-11-06 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528 To Be Published
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7KOP
| The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539 | Descriptor: | 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Seetharaman, J, White, S.W. | Deposit date: | 2020-11-09 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539 To Be Published
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1WSX
| Solution structure of MCL-1 | Descriptor: | myeloid cell leukemia sequence 1 | Authors: | Day, C.L, Chen, L, Richardson, S.J, Harrison, P.J, Huang, D.C, Hinds, M.G. | Deposit date: | 2004-11-12 | Release date: | 2004-11-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Prosurvival Mcl-1 and Characterization of Its Binding by Proapoptotic BH3-only Ligands J.Biol.Chem., 280, 2005
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5N6B
| Human Leukocyte Antigen Class I A02 Carrying LLWNPGMAV | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Bulek, A.M, Bovay, A. | Deposit date: | 2017-02-14 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | T cell receptor alpha variable 12-2 bias in the immunodominant response to Yellow fever virus. Eur. J. Immunol., 48, 2018
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1S73
| Crystal Structure of Mesopone Cytochrome c Peroxidase (R-isomer) [MpCcP-R] | Descriptor: | Cytochrome c peroxidase, mitochondrial, FE-(4-MESOPORPHYRINONE)-R-ISOMER | Authors: | Bhaskar, B, Immoos, C.E, Sulc, F, Choen, M.S, Farmer, P.J, Poulos, T.L. | Deposit date: | 2004-01-28 | Release date: | 2005-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystal structures of reduced, resting and NO-bound states of mesopone cytochorme c peroxidase (MpCcP) (R-isomer) To be Published
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