8HHP
 
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8G3D
 | | 48-nm doublet microtubule from Tetrahymena thermophila strain K40R | | Descriptor: | B2B3_fMIP, B5B6_fMIP, CFAM166A, ... | | Authors: | Black, C.S, Kubo, S, Yang, S.K, Bui, K.H. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Native doublet microtubules from Tetrahymena thermophila reveal the importance of outer junction proteins.
Nat Commun, 14, 2023
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8G2Z
 | | 48-nm doublet microtubule from Tetrahymena thermophila strain CU428 | | Descriptor: | B2B3_fMIP, B5B6_fMIP, CFAM166A, ... | | Authors: | Black, C.S, Kubo, S, Yang, S.K, Bui, K.H. | | Deposit date: | 2023-02-06 | | Release date: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Native doublet microtubules from Tetrahymena thermophila reveal the importance of outer junction proteins.
Nat Commun, 14, 2023
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8C5N
 | | Sub-atomic resolution structure of the chitin-binding protein D (CbpD) from Pseudomonas aeruginosa | | Descriptor: | CHLORIDE ION, Chitin-binding protein CbpD | | Authors: | Cordara, G, Krengel, U, Golten, O, Vaaje-Kolstad, G, Vinther Soerensen, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-06-28 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (0.75 Å) | | Cite: | Immunization with lytic polysaccharide monooxygenase CbpD induces protective immunity against Pseudomonas aeruginosa pneumonia.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3POR
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6VJB
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7XAD
 | | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | | Deposit date: | 2022-03-17 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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1JI4
 | | NAP protein from helicobacter pylori | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE (III) ION, NEUTROPHIL-ACTIVATING PROTEIN A, ... | | Authors: | Zanotti, G, Papinutto, E, Dundon, W.G, Battistutta, R, Seveso, M, Del Giudice, G, Rappuoli, R, Montecucco, C. | | Deposit date: | 2001-06-29 | | Release date: | 2002-10-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of the Neutrophil-activating Protein from Helicobacter pylori
J.Mol.Biol., 323, 2002
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7XVY
 | | Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN | | Descriptor: | (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1 | | Authors: | Furuya, N, Handa, C. | | Deposit date: | 2022-05-25 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.544 Å) | | Cite: | Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
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6FL4
 | | A. thaliana NUDT1 in complex with 8-oxo-dGTP | | Descriptor: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1 | | Authors: | Jemth, A.S, Scaletti-Hutchinson, E, Carter, M, Helleday, T, Stenmark, P. | | Deposit date: | 2018-01-25 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure and Substrate Specificity of the 8-oxo-dGTP Hydrolase NUDT1 from Arabidopsis thaliana.
Biochemistry, 58, 2019
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7XWQ
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7XWR
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7XWP
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7XVZ
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6ZOQ
 | | Oestrogen receptor ligand binding domain in complex with compound 16 | | Descriptor: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | | Authors: | Breed, J. | | Deposit date: | 2020-07-07 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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6ZOR
 | | Oestrogen receptor ligand binding domain in complex with compound 28 | | Descriptor: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | | Authors: | Breed, J. | | Deposit date: | 2020-07-07 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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7XYQ
 | | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | | Descriptor: | ARGININE, CD274 molecule, DBL1_03 | | Authors: | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | | Deposit date: | 2022-06-02 | | Release date: | 2023-04-12 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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8OFW
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3ORN
 | | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | | Descriptor: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | | Deposit date: | 2010-09-07 | | Release date: | 2011-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
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3OS3
 | | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | | Descriptor: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | | Deposit date: | 2010-09-08 | | Release date: | 2011-07-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
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5EJN
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2POR
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4SDH
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1JIG
 | | Dlp-2 from Bacillus anthracis | | Descriptor: | Dlp-2, FE (III) ION | | Authors: | Papinutto, E, Dundon, W.G, Pitulis, N, Battistutta, R, Montecucco, C, Zanotti, G. | | Deposit date: | 2001-07-02 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structure of two iron-binding proteins from Bacillus anthracis.
J.Biol.Chem., 277, 2002
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8FLH
 | | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | | Descriptor: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2022-12-21 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
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