7SWI
 
 | | cTnC-TnI chimera complexed with A2 | | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-19 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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8FOV
 | | AbeH (Tryptophan-5-halogenase) bound to FAD and Cl | | Descriptor: | ACETATE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ashaduzzaman, M, Bellizzi, J.J. | | Deposit date: | 2023-01-03 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
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7SVC
 | | NMR structure of cTnC-TnI chimera bound to calcium and A2 | | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ... | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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1TXD
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5M5C
 | | Mechanism of microtubule minus-end recognition and protection by CAMSAP proteins | | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Akhmanova, A, Moores, C.A, Baldus, M, Steinmetz, M.O, Topf, M, Roberts, A.J, Grant, B.J, Scarabelli, G, Joseph, A.-P, van Hooff, J.J.E, Houben, K, Hua, S, Luo, Y, Stangier, M.M, Jiang, K, Atherton, J. | | Deposit date: | 2016-10-21 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | A structural model for microtubule minus-end recognition and protection by CAMSAP proteins.
Nat. Struct. Mol. Biol., 24, 2017
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2VFO
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125L | | Descriptor: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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7T9F
 | | Structure of VcINDY-apo | | Descriptor: | DASS family sodium-coupled anion symporter | | Authors: | Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N. | | Deposit date: | 2021-12-19 | | Release date: | 2022-05-25 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY.
Nat Commun, 13, 2022
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7T9G
 | | Structure of VcINDY-Na+ | | Descriptor: | DASS family sodium-coupled anion symporter, SODIUM ION | | Authors: | Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N. | | Deposit date: | 2021-12-19 | | Release date: | 2022-05-25 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY.
Nat Commun, 13, 2022
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7TC5
 | | All Phe-Azurin variant - F15Y | | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION, ... | | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins.
Inorg.Chem., 61, 2022
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7TC6
 | | All Phe-Azurin variant - F15W | | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION | | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins.
Inorg.Chem., 61, 2022
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8X7A
 | | Treprostinil bound Prostacyclin Receptor G protein complex | | Descriptor: | 2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C. | | Deposit date: | 2023-11-23 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
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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: | 2024-10-30 | | 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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4L7C
 | | Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | | Descriptor: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | | Deposit date: | 2013-06-13 | | Release date: | 2014-02-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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6VR6
 | | Structure of ALDH9A1 complexed with NAD+ in space group P1 | | Descriptor: | 4-trimethylaminobutyraldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Wyatt, J.W, Tanner, J.J. | | Deposit date: | 2020-02-06 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1.
Arch.Biochem.Biophys., 691, 2020
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2WGJ
 | | X-ray Structure of PF-02341066 bound to the kinase domain of c-Met | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, HEPATOCYTE GROWTH FACTOR RECEPTOR | | Authors: | McTigue, M, Grodsky, N, Ryan, K, Tran-Dube, M, Cui, J.J, Mroczkowski, B. | | Deposit date: | 2009-04-20 | | Release date: | 2009-06-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
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4L4T
 | | Structure of human MAIT TCR in complex with human MR1-6-FP | | Descriptor: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, MAIT T-cell receptor alpha chain, ... | | Authors: | Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J. | | Deposit date: | 2013-06-09 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
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6VZ9
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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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2W9U
 | | Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii | | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | Deposit date: | 2009-01-29 | | Release date: | 2010-03-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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2W9O
 | | Solution structure of jerdostatin from Trimeresurus jerdonii | | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | Deposit date: | 2009-01-27 | | Release date: | 2010-03-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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8X79
 | | MRE-269 bound Prostacyclin Receptor G protein complex | | Descriptor: | 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C. | | Deposit date: | 2023-11-23 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
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2W9W
 | | Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | Deposit date: | 2009-01-29 | | Release date: | 2010-03-31 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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2W9V
 | | Solution structure of jerdostatin from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | | Deposit date: | 2009-01-29 | | Release date: | 2010-03-31 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1
Proteins, 79, 2011
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1G69
 | | THIAMIN PHOSPHATE SYNTHASE | | Descriptor: | 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ... | | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2000-11-03 | | Release date: | 2001-09-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001
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8SKL
 | | PTP1B in complex with 182 | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, ... | | Authors: | Babon, J.J, Chen, H, Tiganis, T. | | Deposit date: | 2023-04-20 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A small molecule inhibitor of PTP1B and PTPN2 enhances T cell anti-tumor immunity.
Nat Commun, 14, 2023
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