3HH7
 
 | | Structural and Functional Characterization of a Novel Homodimeric Three-finger Neurotoxin from the Venom of Ophiophagus hannah (King Cobra) | | Descriptor: | Muscarinic toxin-like protein 3 homolog | | Authors: | Roy, A, Zhou, X, Chong, M.Z, D'hoedt, D, Foo, C.S, Rajagopalan, N, Nirthanan, S, Bertrand, D, Sivaraman, J, Kini, R.M. | | Deposit date: | 2009-05-15 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Functional Characterization of a Novel Homodimeric Three-finger Neurotoxin from the Venom of Ophiophagus hannah (King Cobra)
J.Biol.Chem., 285, 2010
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3PLC
 | | Crystal structure of Beta-Cardiotoxin, a novel three-finger cardiotoxin from the venom of Ophiophagus hannah | | Descriptor: | Beta-cardiotoxin OH-27 | | Authors: | Roy, A, Qingxiang, S, Kini, R.M, Sivaraman, J. | | Deposit date: | 2010-11-15 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Identification of a alpha-helical molten globule intermediate and structural characterization of beta-cardiotoxin, an all beta-sheet protein isolated from the venom of Ophiophagus hannah (king cobra).
Protein Sci., 28, 2019
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4DKW
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8TCG
 | | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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8TCF
 | | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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7LMV
 | | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | | Descriptor: | Integrin inhibitor | | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | Deposit date: | 2021-02-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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7LMX
 | | A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | | Descriptor: | Integrin inhibitor | | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | Deposit date: | 2021-02-06 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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3TMT
 | | IrisFP, distorted chromophore | | Descriptor: | Green to red photoconvertible GPF-like protein EosFP, SULFATE ION | | Authors: | Adam, V, Carpentier, P, Roy, A, Field, M, Bourgeois, D. | | Deposit date: | 2011-08-31 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The nature of transient dark States in a photoactivatable fluorescent protein.
J.Am.Chem.Soc., 133, 2011
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3TMR
 | | IrisFP, planar chromophore | | Descriptor: | Green to red photoconvertible GPF-like protein EosFP, SULFATE ION, SULFITE ION | | Authors: | Adam, V, Carpentier, P, Roy, A, Field, M, Bourgeois, D. | | Deposit date: | 2011-08-31 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The nature of transient dark States in a photoactivatable fluorescent protein.
J.Am.Chem.Soc., 133, 2011
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5VCQ
 | | A Hyrdrogen Producing Hybrid Streptavidin-Diiron Catalyst | | Descriptor: | 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Streptavidin | | Authors: | Simmons, C.R, Roy, A, Vaughn, M.D, Allen, J.P, Ghirlanda, G. | | Deposit date: | 2017-03-31 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Enhanced Photocatalytic Hydrogen Production by Hybrid Streptavidin-Diiron Catalysts
To Be Published
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3P9A
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8OI6
 | | Cryo-EM structure of the undecorated barbed end of filamentous beta/gamma actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
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8OID
 | | Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the N111S mutation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
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8OI8
 | | Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the R183W mutation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.28 Å) | | Cite: | Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
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8GZ7
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7QJF
 | | Llp mutant C1G, lytic conversion lipoprotein of phage T5 | | Descriptor: | Lytic conversion lipoprotein | | Authors: | Degroux, S, Mestdach, E, Vives, C, Le Roy, A, Salmon, L, Herrman, T, Breyton, C. | | Deposit date: | 2021-12-16 | | Release date: | 2022-12-28 | | Method: | SOLUTION NMR | | Cite: | Llp mutant C1G, lytic conversion lipoprotein of phage T5
To Be Published
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3N0U
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5XWE
 | | Structure of a three finger toxin from Ophiophagus hannah venom | | Descriptor: | CHLORIDE ION, GLYCEROL, Weak toxin DE-1 homolog 1, ... | | Authors: | Jobichen, C, Roy, A, Kini, R.M, Sivaraman, J. | | Deposit date: | 2017-06-29 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a three finger toxin from Ophiophagus hannah venom
To Be Published
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8BJW
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4NCG
 | | Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses | | Descriptor: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Yan, Y. | | Deposit date: | 2013-10-24 | | Release date: | 2014-02-12 | | Last modified: | 2022-10-12 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
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8B0Q
 | | Deinococcus radiodurans UvrC C-terminal half | | Descriptor: | UvrABC system protein C | | Authors: | Timmins, J, Stelter, M. | | Deposit date: | 2022-09-08 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional insights into the activation of the dual incision activity of UvrC, a key player in bacterial NER.
Nucleic Acids Res., 51, 2023
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2XR6
 | | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | | Descriptor: | 2-AZIDOETHANOL, CALCIUM ION, CD209 ANTIGEN, ... | | Authors: | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | | Deposit date: | 2010-09-10 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design.
Acs Chem.Biol., 9, 2014
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7KUW
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6GHV
 | | Structure of a DC-SIGN CRD in complex with high affinity glycomimetic. | | Descriptor: | CALCIUM ION, CD209 antigen, CHLORIDE ION, ... | | Authors: | Thepaut, M, Achilli, S, Medve, L, Bernardi, A, Fieschi, F. | | Deposit date: | 2018-05-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis.
Chemistry, 25, 2019
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6HKT
 | | Structure of an H1-bound 6-nucleosome array | | Descriptor: | DNA (1122-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Garcia-Saez, I, Dimitrov, S, Petosa, C. | | Deposit date: | 2018-09-08 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (9.7 Å) | | Cite: | Structure of an H1-Bound 6-Nucleosome Array Reveals an Untwisted Two-Start Chromatin Fiber Conformation.
Mol. Cell, 72, 2018
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