6YCX
| Plasmodium falciparum Myosin A full-length, pre-powerstroke state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin A tail domain interacting protein, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2020-03-19 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.99 Å) | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets. Elife, 9, 2020
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1JDE
| K22A mutant of pyruvate, phosphate dikinase | Descriptor: | PYRUVATE, PHOSPHATE DIKINASE, SULFATE ION | Authors: | Ye, D, Wei, M, McGuire, M, Huang, K, Kapadia, G, Herzberg, O, Martin, B.M, Dunaway-Mariano, D. | Deposit date: | 2001-06-13 | Release date: | 2001-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Investigation of the catalytic site within the ATP-grasp domain of Clostridium symbiosum pyruvate phosphate dikinase. J.Biol.Chem., 276, 2001
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8G8W
| Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | Descriptor: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | Authors: | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | Deposit date: | 2023-02-20 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of purine nucleotide inhibition of human uncoupling protein 1. Sci Adv, 9, 2023
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6YPC
| Crystal structure of the kinetochore subunits H/I/K/T/W penta-complex from S. cerevisiae at 2.9 angstroms | Descriptor: | Inner kinetochore subunit CNN1, Inner kinetochore subunit CTF3, Inner kinetochore subunit MCM16, ... | Authors: | Bellini, D, Zhang, Z, Barford, D. | Deposit date: | 2020-04-15 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the Cenp-HIKHead-TW sub-module of the inner kinetochore CCAN complex. Nucleic Acids Res., 48, 2020
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1P82
| NMR STRUCTURE OF 1-25 FRAGMENT OF MYCOBACTERIUM TUBERCULOSIS CPN10 | Descriptor: | 10 kDa chaperonin | Authors: | Ciutti, A, Spiga, O, Giannozzi, E, Scarselli, M, Di Maro, D, Calamandrei, D, Niccolai, N, Bernini, A. | Deposit date: | 2003-05-06 | Release date: | 2003-05-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of 1-25 fragment of Cpn10 from Mycobacterium Tuberculosis To be Published
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7BJ1
| Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | Descriptor: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | Authors: | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | Deposit date: | 2021-01-13 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase Chembiochem, 22, 2021
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4QVK
| Apo-crystal structure of Podospora anserina methyltransferase PaMTH1 | Descriptor: | 1,2-ETHANEDIOL, PaMTH1 Methyltransferase | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | Deposit date: | 2014-07-15 | Release date: | 2015-05-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina. J.Biol.Chem., 290, 2015
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5MSD
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4QR0
| Crystal structure of Streptococcus pyogenes Cas2 at pH 5.6 | Descriptor: | CRISPR-associated endoribonuclease Cas2 | Authors: | Bae, E, Ka, D, Kim, D. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional characterization of Streptococcus pyogenes Cas2 protein under different pH conditions Biochem.Biophys.Res.Commun., 451, 2014
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5MSC
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5MSQ
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5MWA
| human sEH Phosphatase in complex with 3-4-3,4-dichlorophenyl-5-phenyl-1,3-oxazol-2-yl-benzoic-acid | Descriptor: | 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | Authors: | Kramer, J.S, Pogoryelov, D, Sorrell, F.J, Fox, N, Chaikuad, A, Knapp, S, Proschak, E. | Deposit date: | 2017-01-18 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain. J.Med.Chem., 2019
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1RLD
| SOLID-STATE PHASE TRANSITION IN THE CRYSTAL STRUCTURE OF RIBULOSE 1,5-BIPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE | Descriptor: | RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN) | Authors: | Zhang, K.Y.J, Eisenberg, D. | Deposit date: | 1993-12-10 | Release date: | 1994-04-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Solid-state phase transition in the crystal structure of ribulose 1,5-bisphosphate carboxylase/oxygenase. Acta Crystallogr.,Sect.D, 50, 1994
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6YRV
| Crystal structure of FAP after illumination at 100K | Descriptor: | CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, ... | Authors: | Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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6YRU
| Crystal structure of FAP in the dark at 100K | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID | Authors: | Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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6YS2
| Crystal structure of FAP R451A in the dark at 100K | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID | Authors: | Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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6YRX
| Low-dose crystal structure of FAP at room temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID | Authors: | Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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7OF9
| Keap1 kelch domain bound to a small molecule fragment | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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6YS1
| Crystal structure of FAP R451K mutant in the dark at 100K | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID, ... | Authors: | Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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5MQX
| NMR solution structure of macro domain from Venezuelan equine encephalitis virus(VEEV) in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein3 | Authors: | Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Matsoukas, M.T, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A. | Deposit date: | 2016-12-21 | Release date: | 2018-07-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose. J.Struct.Biol., 206, 2019
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7OFD
| Keap1 kelch domain bound to a small molecule fragment | Descriptor: | 6-fluoranyl-2-methyl-quinolin-4-ol, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OFA
| Keap1 kelch domain bound to a small molecule fragment | Descriptor: | 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OFF
| Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OFE
| Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OFC
| Keap1 kelch domain bound to a small molecule fragment | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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