7UAP
 
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8BE0
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6TPE
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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6TP8
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6TPF
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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6D01
 | | Crystal structure of 1210 Fab in complex with circumsporozoite protein NANP5 | | Descriptor: | 1,2-ETHANEDIOL, 1210 Antibody, Light chain, ... | | Authors: | Scally, S.W, Bosch, A, Imkeller, K, Wardemann, H, Julien, J.P. | | Deposit date: | 2018-04-09 | | Release date: | 2018-06-13 | | Last modified: | 2018-07-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Antihomotypic affinity maturation improves human B cell responses against a repetitive epitope.
Science, 360, 2018
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6D0X
 | | Crystal structure of chimeric H.2140 / K.1210 Fab in complex with circumsporozoite protein NANP3 | | Descriptor: | 1210 Antibody, light chain, 2140 Antibody, ... | | Authors: | Scally, S.W, Bosch, A, Imkeller, K, Wardemann, H, Julien, J.P. | | Deposit date: | 2018-04-11 | | Release date: | 2018-06-13 | | Last modified: | 2018-07-04 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Antihomotypic affinity maturation improves human B cell responses against a repetitive epitope.
Science, 360, 2018
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1EYV
 | | THE CRYSTAL STRUCTURE OF NUSB FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | N-UTILIZING SUBSTANCE PROTEIN B HOMOLOG, PHOSPHATE ION | | Authors: | Gopal, B, Haire, L.F, Cox, R.A, Colston, M.J, Major, S, Brannigan, J.A, Smerdon, S.J, Dodson, G.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2000-05-09 | | Release date: | 2000-05-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of NusB from Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
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6QZP
 | | High-resolution cryo-EM structure of the human 80S ribosome | | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 18S rRNA (1740-MER), 28S rRNA (3773-MER), ... | | Authors: | Natchiar, S.K, Myasnikov, A.G, Kratzat, H, Hazemann, I, Klaholz, B.P. | | Deposit date: | 2019-03-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Visualization of chemical modifications in the human 80S ribosome structure.
Nature, 551, 2017
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6HT9
 | | Mouse fetuin-B in complex with crayfish astacin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ... | | Authors: | Gomis-Ruth, F.X, Goulas, T, Guevara, T, Cuppari, A. | | Deposit date: | 2018-10-03 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
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6KRN
 | | Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus expressed by Pichia pastoris in complex with aldotriuronic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, Mating factor alpha,GH30 Xylanase B, ... | | Authors: | Nakamichi, Y, Watanabe, M, Inoue, H. | | Deposit date: | 2019-08-22 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Substrate recognition by a bifunctional GH30-7 xylanase B from Talaromyces cellulolyticus.
Febs Open Bio, 10, 2020
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5BNA
 | | THE PRIMARY MODE OF BINDING OF CISPLATIN TO A B-DNA DODECAMER: C-G-C-G-A-A-T-T-C-G-C-G | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM TRIAMINE ION | | Authors: | Wing, R.M, Pjura, P, Drew, H.R, Dickerson, R.E. | | Deposit date: | 1983-08-22 | | Release date: | 1983-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The primary mode of binding of cisplatin to a B-DNA dodecamer: C-G-C-G-A-A-T-T-C-G-C-G
EMBO J., 3, 1984
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1FGB
 | | TOXIN | | Descriptor: | CHOLERA TOXIN B SUBUNIT PENTAMER | | Authors: | Zhang, R.-G, Westbrook, E. | | Deposit date: | 1996-02-21 | | Release date: | 1996-12-23 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The 2.4 A crystal structure of cholera toxin B subunit pentamer: choleragenoid.
J.Mol.Biol., 251, 1995
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6E57
 | | Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-B in complex with mixed-linkage heptasaccharide | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Koropatkin, N.M, Schnizlein, M, Bahr, C.M.E. | | Deposit date: | 2018-07-19 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus.
Cell.Mol.Life Sci., 76, 2019
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7YMK
 | | Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-07-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer.
Acta Pharm Sin B, 13, 2023
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6IAL
 | | Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose | | Descriptor: | CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ... | | Authors: | Heim, J.B, Heggelund, J.E, Krengel, U. | | Deposit date: | 2018-11-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Specificity ofEscherichia coliHeat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography.
Int J Mol Sci, 20, 2019
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7K7R
 | | EBNA1 peptide AA386-405 with Fab MS39p2w174 | | Descriptor: | CHLORIDE ION, EBNA1 peptide AA386-405, Fab HC MS39p2w174, ... | | Authors: | Lanz, T.V, Robinson, W.H, Jude, K.M. | | Deposit date: | 2020-09-23 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Clonally expanded B cells in multiple sclerosis bind EBV EBNA1 and GlialCAM.
Nature, 603, 2022
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7KQH
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6IUJ
 | | Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GH30 Xylanase B, ... | | Authors: | Nakamichi, Y, Watanabe, M, Inoue, H. | | Deposit date: | 2018-11-28 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and functional characterization of a bifunctional GH30-7 xylanase B from the filamentous fungusTalaromyces cellulolyticus.
J. Biol. Chem., 294, 2019
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6YP6
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7KGU
 | | Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Aytenfisu, T.Y, Wright, K.M, Gabelli, S.B. | | Deposit date: | 2020-10-18 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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7ZPF
 | | Three-dimensional structure of AIP56, a short-trip single chain AB toxin from Photobacterium damselae subsp. piscicida. | | Descriptor: | Aip56, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S. | | Deposit date: | 2022-04-27 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Unconventional structure and mechanisms for membrane interaction and translocation of the NF-kappa B-targeting toxin AIP56.
Nat Commun, 14, 2023
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5XZ0
 | | Staphylococcal Enterotoxin B (SEB) mutant S19 - N23A, Y90A, R110A and F177A | | Descriptor: | Staphylococcal enterotoxin B | | Authors: | Jeong, W.H, Song, D.H, Hur, G.H, Jeong, S.T. | | Deposit date: | 2017-07-11 | | Release date: | 2017-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Structure of the staphylococcal enterotoxin B vaccine candidate S19 showing eliminated superantigen activity
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5N16
 | | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1) | | Descriptor: | 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ... | | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | Deposit date: | 2017-02-05 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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8DJE
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | | Descriptor: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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