4HL8
 
 | | Re-refinement of the vault ribonucleoprotein particle | | Descriptor: | Major vault protein | | Authors: | Casanas, A, Querol-Audi, J, Guerra, P, Pous, J, Tanaka, H, Tsukihara, T, Verdaguer, V, Fita, I. | | Deposit date: | 2012-10-16 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | New features of vault architecture and dynamics revealed by novel refinement using the deformable elastic network approach.
Acta Crystallogr.,Sect.D, 69, 2013
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6LRM
 | | Crystal structure of PDE4D catalytic domain in complex with arctigenin | | Descriptor: | 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
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6LS6
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7Y4T
 | | Crystal structure of cMET kinase domain bound by compound 9I | | Descriptor: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | | Authors: | Qu, L.Z, Chen, Y.H. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
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7Y4U
 | | Crystal structure of cMET kinase domain bound by compound 9Y | | Descriptor: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | | Authors: | Qu, L.Z, Chen, Y.H. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
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7YDQ
 | | Structure of PfNT1(Y190A)-GFP in complex with GSK4 | | Descriptor: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | | Authors: | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | | Deposit date: | 2022-07-04 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.04 Å) | | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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6VC9
 | | TB19 complex | | Descriptor: | 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ... | | Authors: | Zhou, Y.F, Lord, D.M. | | Deposit date: | 2019-12-20 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
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6JMD
 | | Crystal structure of human DHODH in complex with inhibitor 1223 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-03-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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6JME
 | | Crystal structure of human DHODH in complex with inhibitor 0946 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-03-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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3X3N
 | | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 | | Descriptor: | CALCIUM ION, ESX-1 secretion system protein EccB1 | | Authors: | Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C. | | Deposit date: | 2015-01-24 | | Release date: | 2015-12-09 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
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6VCA
 | | TB38 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, ... | | Authors: | Zhou, Y.F, Lord, D.M. | | Deposit date: | 2019-12-20 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.73 Å) | | Cite: | A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
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2EK5
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6JTP
 | | Crystal structure of HLA-C08 in complex with a tumor mut9m peptide | | Descriptor: | 9-mer peptide, Beta-2-microglobulin, HLA class I antigen, ... | | Authors: | Bai, P, Zhou, Q, Wei, P, Lei, Y. | | Deposit date: | 2019-04-11 | | Release date: | 2020-04-15 | | Last modified: | 2021-02-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
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3X3M
 | | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121 | | Descriptor: | CALCIUM ION, ESX-1 secretion system protein EccB1 | | Authors: | Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C. | | Deposit date: | 2015-01-24 | | Release date: | 2015-12-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
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7YOX
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5IPJ
 | | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor. | | Descriptor: | 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Mohr, C. | | Deposit date: | 2016-03-09 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.
J.Med.Chem., 59, 2016
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6VJT
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5ZUG
 | | Structure of the bacterial acetate channel SatP | | Descriptor: | Succinate-acetate/proton symporter SatP, nonyl beta-D-glucopyranoside | | Authors: | Sun, P.C, Li, J.L, Xiao, Q.J, Guan, Z.Y, Deng, D. | | Deposit date: | 2018-05-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Crystal structure of the bacterial acetate transporter SatP reveals that it forms a hexameric channel.
J. Biol. Chem., 293, 2018
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4WRS
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6BE0
 | | AvrA delL154 with IP6, CoA | | Descriptor: | AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE | | Authors: | Labriola, J.M, Nagar, B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.438 Å) | | Cite: | Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition.
Biochemistry, 57, 2018
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4YES
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6W4Q
 | | Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120 | | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... | | Authors: | Greenfield, J, Herzberg, O. | | Deposit date: | 2020-03-11 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.
Sci Rep, 10, 2020
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5JIE
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6BVW
 | | SFTI-HFRW-3 | | Descriptor: | Trypsin inhibitor 1 HFRW-3 | | Authors: | Schroeder, C.I. | | Deposit date: | 2017-12-14 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.
J.Med.Chem., 61, 2018
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6BVX
 | | SFTI-HFRW-2 | | Descriptor: | Trypsin inhibitor 1 HFRW-2 | | Authors: | Schroeder, C.I. | | Deposit date: | 2017-12-14 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.
J.Med.Chem., 61, 2018
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