4AOI
 
 | | Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile | | Descriptor: | 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR | | Authors: | McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. | | Deposit date: | 2012-03-27 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
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1TXD
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4AE7
 | | Crystal structure of human THEM5 | | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 5 | | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | | Deposit date: | 2012-01-09 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development.
Mol.Cell.Biol., 32, 2012
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4RFM
 | | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | | Deposit date: | 2014-09-26 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.
J.Med.Chem., 58, 2015
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4AP6
 | | Crystal structure of human POFUT2 E54A mutant in complex with GDP- fucose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ... | | Authors: | Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
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7ZSI
 | | Structure of Orange Carotenoid Protein with canthaxanthin bound after 5 minutes of illumination | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
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7ZSH
 | | Structure of Orange Carotenoid Protein with canthaxanthin bound after 2 minutes of illumination | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
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7ZSF
 | | Structure of Orange Carotenoid Protein with canthaxanthin bound | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
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7ZSJ
 | | Structure of Orange Carotenoid Protein with canthaxanthin bound after 10 minutes of illumination | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
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3MV8
 | | Crystal Structure of the TK3-Gln55His TCR in complex with HLA-B*3501/HPVG | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Gras, S, Chen, Z, Miles, J.J, Liu, Y.C, Bell, M.J, Sullivan, L.C, Kjer-Nielsen, L, Brennan, R.M, Burrows, J.M, Neller, M.A, Khanna, R, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J, Burrows, S.R. | | Deposit date: | 2010-05-03 | | Release date: | 2010-06-09 | | Last modified: | 2011-07-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses
J.Exp.Med., 207, 2010
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1EEY
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5NV6
 | | Structure of human transforming growth factor beta-induced protein (TGFBIp). | | Descriptor: | ACETATE ION, Transforming growth factor-beta-induced protein ig-h3 | | Authors: | Garcia-Castellanos, R, Nielsen, S.N, Runager, K, Thogersen, B.I, Goulas, T, Enghild, J.J, Gomis-Ruth, F.X. | | Deposit date: | 2017-05-03 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Structural and Functional Implications of Human Transforming Growth Factor beta-Induced Protein, TGFBIp, in Corneal Dystrophies.
Structure, 25, 2017
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8AFA
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3MYH
 | | Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 | | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Frye, J.J, Klenchin, V.A, Bagshaw, C.R, Rayment, I. | | Deposit date: | 2010-05-10 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Insights into the importance of hydrogen bonding in the gamma-phosphate binding pocket of myosin: structural and functional studies of serine 236
Biochemistry, 49, 2010
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1RUZ
 | | 1918 H1 Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S. | | Deposit date: | 2003-12-12 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
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3MYL
 | | Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 | | Descriptor: | MAGNESIUM ION, Myosin-2 heavy chain, PYROPHOSPHATE 2- | | Authors: | Frye, J.J, Klenchin, V.A, Bagshaw, C.R, Rayment, I. | | Deposit date: | 2010-05-10 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into the importance of hydrogen bonding in the gamma-phosphate binding pocket of myosin: structural and functional studies of serine 236
Biochemistry, 49, 2010
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7ZSG
 | | Structure of Orange Carotenoid Protein with canthaxanthin bound after 1 minute of illumination | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
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6UL2
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1FA4
 | | ELUCIDATION OF THE PARAMAGNETIC RELAXATION OF HETERONUCLEI AND PROTONS IN CU(II) PLASTOCYANIN FROM ANABAENA VARIABILIS | | Descriptor: | COPPER (II) ION, PLASTOCYANIN | | Authors: | Ma, L, Jorgensen, A.M, Sorensen, G.O, Ulstrup, J, Led, J.J. | | Deposit date: | 2000-07-12 | | Release date: | 2000-08-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Elucidation of the Paramagnetic R1 Relaxation of Heteronuclei and Protons in Cu(II) Plastocyanin from Anabaena Variabilis
J.Am.Chem.Soc., 122, 2000
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1R6G
 | | Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound | | Descriptor: | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 | | Authors: | Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. | | Deposit date: | 2003-10-15 | | Release date: | 2005-02-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta.
Bioorg.Med.Chem.Lett., 14, 2004
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1R9J
 | | Transketolase from Leishmania mexicana | | Descriptor: | CALCIUM ION, THIAMINE DIPHOSPHATE, transketolase | | Authors: | Veitch, N.J, Mauger, D.A, Cazzulo, J.J, Lindqvist, Y, Barrett, M.P. | | Deposit date: | 2003-10-30 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Transketolase from Leishmania mexicana has a dual subcellular localization.
Biochem.J., 382, 2004
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1RUY
 | | 1930 Swine H1 Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S. | | Deposit date: | 2003-12-12 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
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1RVZ
 | | 1934 H1 Hemagglutinin in complex with LSTC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S, Elliot, A, Wiley, D.C, Skehel, J.J. | | Deposit date: | 2003-12-15 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
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4MXQ
 | | 42F3 TCR pCPC5/H-2Ld Complex | | Descriptor: | 42F3 alpha VmVh chimera, 42F3 beta VmVh chimera, H-2 class I histocompatibility antigen, ... | | Authors: | Birnbaum, M.E, Adams, J.J, Garcia, K.C. | | Deposit date: | 2013-09-26 | | Release date: | 2015-08-19 | | Last modified: | 2018-09-26 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity.
Nat. Immunol., 17, 2016
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3MV9
 | | Crystal Structure of the TK3-Gln55Ala TCR in complex with HLA-B*3501/HPVG | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Gras, S, Chen, Z, Miles, J.J, Liu, Y.C, Bell, M.J, Sullivan, L.C, Kjer-Nielsen, L, Brennan, R.M, Burrows, J.M, Neller, M.A, Khanna, R, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J, Burrows, S.R. | | Deposit date: | 2010-05-03 | | Release date: | 2010-06-09 | | Last modified: | 2011-07-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses
J.Exp.Med., 207, 2010
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