7WMG
| A novel chemical derivative(52) of THRB agonist | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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7WMJ
| A novel chemical derivative(71) of THRB agonist | Descriptor: | 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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4OES
| Crystal structure of NikA from Brucella suis in complex with Fe(III)-EDTA | Descriptor: | FE (III) ION, GLYCEROL, NikA protein, ... | Authors: | Lebrette, H, Cavazza, C. | Deposit date: | 2014-01-13 | Release date: | 2014-10-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins. Structure, 22, 2014
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1FSF
| GLUCOSAMINE-6-PHOSPHATE DEAMINASE FROM E.COLI, T CONFORMER, AT 1.9A RESOLUTION | Descriptor: | GLUCOSAMINE-6-PHOSPHATE DEAMINASE | Authors: | Rudino-Pinera, E, Morales-Arrieta, S, Rojas-Trejo, S.P, Horjales, E. | Deposit date: | 2000-09-08 | Release date: | 2002-01-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase. Acta Crystallogr.,Sect.D, 58, 2002
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3FQN
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2VNZ
| Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A. | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase. Biochemistry, 47, 2008
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2O7U
| Crystal structure of K206E/K296E mutant of the N-terminal half molecule of human transferrin | Descriptor: | CARBONATE ION, FE (III) ION, Serotransferrin | Authors: | Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N. | Deposit date: | 2006-12-11 | Release date: | 2007-01-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin. Acta Crystallogr.,Sect.D, 63, 2007
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3P5N
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5UU8
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5UUD
| Tetragonal thermolysin cryocooled to 100 K with 50% dmf as cryoprotectant | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYLFORMAMIDE, ... | Authors: | Juers, D.H. | Deposit date: | 2017-02-16 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.60000348 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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2K01
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4C38
| PKA-S6K1 Chimera with compound 21e (CCT239066) bound | Descriptor: | 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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2K05
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4CCX
| ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1995-03-17 | Release date: | 1995-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
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4ZIB
| Crystal Structure of the C-terminal domain of PylRS mutant bound with 3-benzothienyl-l-alanine and ATP | Descriptor: | 1,2-ETHANEDIOL, 3-(1-benzothiophen-3-yl)-L-alanine, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Nakamura, A, Guo, L.T, Wang, Y.S, Soll, D. | Deposit date: | 2015-04-28 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Probing the active site tryptophan of Staphylococcus aureus thioredoxin with an analog. Nucleic Acids Res., 43, 2015
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3FQU
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3FQR
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2VNX
| Crystal structure of soybean ascorbate peroxidase mutant W41A after exposure to a high dose of x-rays | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase. Biochemistry, 47, 2008
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3FUQ
| Glycosylated SV2 and Gangliosides as Dual Receptors for Botulinum Neurotoxin Serotype F | Descriptor: | BoNT/F (Neurotoxin type F) | Authors: | Fu, Z, Chen, C, Barbieri, J.T, Kim, J.-J.P, Baldwin, M.R. | Deposit date: | 2009-01-14 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glycosylated SV2 and gangliosides as dual receptors for botulinum neurotoxin serotype F Biochemistry, 48, 2009
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7MU3
| human carbonic anhydrase 9 mimic with compound | Descriptor: | Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ... | Authors: | Peat, T.S. | Deposit date: | 2021-05-14 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors. Bioorg.Med.Chem.Lett., 49, 2021
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3TES
| Crystal Structure of Tencon | Descriptor: | Tencon | Authors: | Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G. | Deposit date: | 2011-08-15 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of novel FN3 domains with high stability by a consensus sequence approach. Protein Eng.Des.Sel., 25, 2012
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2KY7
| NMR Structural Studies on the Covalent DNA Binding of a Pyrrolobenzodiazepine-Naphthalimide Conjugate | Descriptor: | 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | Authors: | Rettig, M, Langel, W, Kamal, A, Weisz, K. | Deposit date: | 2010-05-17 | Release date: | 2010-06-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate Org.Biomol.Chem., 8, 2010
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4DU2
| cytochrome P450 BM3h-B7 MRI sensor bound to dopamine | Descriptor: | L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant B7 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
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3T9C
| Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and inositol hexakisphosphate (IP6) | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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2O84
| Crystal structure of K206E mutant of N-lobe human transferrin | Descriptor: | CARBONATE ION, FE (III) ION, POTASSIUM ION, ... | Authors: | Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N. | Deposit date: | 2006-12-12 | Release date: | 2007-01-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin. Acta Crystallogr.,Sect.D, 63, 2007
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