3E63
 
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3E62
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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5EG3
 | | Crystal Structure of the Activated FGF Receptor 2 (FGFR2) Kinase Domain in complex with the cSH2 domain of Phospholipase C gamma (PLCgamma) | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Fibroblast growth factor receptor 2, MAGNESIUM ION, ... | | Authors: | Huang, Z, Li, X, Mohammadi, M. | | Deposit date: | 2015-10-26 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.606 Å) | | Cite: | Two FGF Receptor Kinase Molecules Act in Concert to Recruit and Transphosphorylate Phospholipase C gamma.
Mol.Cell, 61, 2016
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5EFM
 | | Beclin 1 Flexible-helical Domian (FHD) (141-171) | | Descriptor: | Beclin-1, SULFATE ION | | Authors: | Sinha, S, Mei, Y. | | Deposit date: | 2015-10-23 | | Release date: | 2016-07-20 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy.
Biochemistry, 55, 2016
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5ULA
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7ZSD
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-08 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZRV
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-05 | | Release date: | 2023-03-08 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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6CFD
 | | ADEP4 bound to E. faecium ClpP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2018-02-14 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
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7C0Q
 | | a Legionella pneumophila effector Lpg2505 | | Descriptor: | GLYCEROL, effector Lpg2505 | | Authors: | Chen, T.T, Han, A.D, Luo, Z.Q, McCloskey, A, Perri, K. | | Deposit date: | 2020-05-01 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The metaeffector MesI regulates the activity of the Legionella effector SidI through direct protein-protein interactions.
Microbes Infect., 23, 2021
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7SH4
 | | CD1a-phosphatidylglycerol binary structure | | Descriptor: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Wegrecki, M, Rossjohn, J. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a.
Nat.Immunol., 24, 2023
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7VTN
 | | Cryo-EM structure of the Cas13bt3-crRNA-target RNA ternary complex | | Descriptor: | Cas13bt3, crRNA, target RNA | | Authors: | Nakagawa, R, Soumya, K, Han, A, Takeda, N.S, Tomita, A, Hirano, H, Kusakizako, T, Tomohiro, N, Yamashita, K, Feng, Z, Nishimasu, H, Nureki, O. | | Deposit date: | 2021-10-30 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structure and engineering of the minimal type VI CRISPR-Cas13bt3.
Mol.Cell, 82, 2022
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7SMU
 | | Crystal Structure of Consomatin-Ro1 | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol, Consomatin-Ro1 | | Authors: | Ramiro, I.B.L, Whitby, F.G, Hill, C.P, Safavi-Hemami, H, Concepcion, G.P, Olivera, B.M. | | Deposit date: | 2021-10-26 | | Release date: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Somatostatin venom analogs evolved by fish-hunting cone snails: From prey capture behavior to identifying drug leads.
Sci Adv, 8, 2022
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6DIG
 | | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide | | Descriptor: | 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
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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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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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6F48
 | | Structure of quinolinate synthase with reaction intermediates X and Y | | Descriptor: | 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
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6F4L
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6G74
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6F4D
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7EW8
 | | Legionella pneumophila effector AnkD | | Descriptor: | ANK_REP_REGION domain-containing protein | | Authors: | Chen, T.T, Lin, Y.L. | | Deposit date: | 2021-05-24 | | Release date: | 2022-06-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Atypical Legionella GTPase effector hijacks host vesicular transport factor p115 to regulate host lipid droplet.
Sci Adv, 8, 2022
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7WX6
 | | A Legionella acetyltransferase VipF | | Descriptor: | CHLORAMPHENICOL, COENZYME A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Chen, Z, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.273 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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7WX5
 | | a Legionella acetyltransferase effector VipF | | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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7WX7
 | | complex of a legionella acetyltransferase VipF and COA/ACO | | Descriptor: | ACETYL COENZYME *A, COENZYME A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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8WW2
 | | GPR3/Gs complex | | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | He, Y, Xiong, Y. | | Deposit date: | 2023-10-24 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
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