4UQH
 
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | | Deposit date: | 2014-06-23 | | Release date: | 2014-08-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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8X5D
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5V8O
 | | Discovery of a high affinity inhibitor of cGAS | | Descriptor: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Hall, J. | | Deposit date: | 2017-03-22 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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8W8D
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8UR9
 | | Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61 | | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | | Authors: | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-10-25 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7NWK
 | | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | | Authors: | Collie, G.W, Ferguson, A.D. | | Deposit date: | 2021-03-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
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3ZEE
 | | Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain | | Descriptor: | PARTITIONING DEFECTIVE 3 HOMOLOG | | Authors: | Zhang, Y, Wang, W, Chen, J, Zhang, K, Gao, F, Gong, W, Zhang, M, Sun, F, Feng, W. | | Deposit date: | 2012-12-05 | | Release date: | 2013-10-16 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain.
Structure, 21, 2013
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2IRM
 | | Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae | | Descriptor: | mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | | Authors: | Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-15 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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8I60
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2I0O
 | | Crystal structure of Anopheles gambiae Ser/Thr phosphatase complexed with Zn2+ | | Descriptor: | Ser/Thr phosphatase, ZINC ION | | Authors: | Jin, X, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-10 | | Release date: | 2006-10-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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5V5W
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5V5V
 | | Complex of NLGN2 with MDGA1 Ig1-Ig2 | | Descriptor: | MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2 | | Authors: | Gangwar, S.P, Machius, M, Rudenko, G. | | Deposit date: | 2017-03-15 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.11 Å) | | Cite: | Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges.
Neuron, 94, 2017
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4V3Q
 | | Designed armadillo repeat protein with 4 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | | Descriptor: | CALCIUM ION, GLYCEROL, YIII_M4_AII | | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of designed armadillo-repeat proteins show propagation of inter-repeat interface effects.
Acta Crystallogr D Struct Biol, 72, 2016
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4V67
 | | Crystal structure of a translation termination complex formed with release factor RF2. | | Descriptor: | 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ... | | Authors: | Korostelev, A, Asahara, H, Lancaster, L, Laurberg, M, Hirschi, A, Noller, H.F. | | Deposit date: | 2008-10-27 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a translation termination complex formed with release factor RF2.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4V3R
 | | Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | | Descriptor: | MAGNESIUM ION, YIII_M5_AII | | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
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4V3O
 | | Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | | Descriptor: | ACETATE ION, CALCIUM ION, YIII_M5_AII | | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
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6VQ2
 | | HLA-B*27:05 presenting an HIV-1 14mer peptide | | Descriptor: | 14-mer peptide, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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6VQD
 | | HLA-B*27:05 presenting an HIV-1 8mer peptide | | Descriptor: | 8-mer peptide, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-05 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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6VQE
 | | HLA-B*27:05 presenting an HIV-1 13mer peptide | | Descriptor: | 13-mer peptide, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-05 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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6VQY
 | | HLA-B*27:05 presenting an HIV-1 7mer peptide | | Descriptor: | 7-mer peptide, ARGININE, Beta-2-microglobulin, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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6VQZ
 | | HLA-B*27:05 presenting an HIV-1 6mer peptide | | Descriptor: | 6-mer peptide, ARGININE, Beta-2-microglobulin, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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6VPZ
 | | HLA-B*27:05 presenting an HIV-1 11mer peptide | | Descriptor: | 11-mer peptide, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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6VYO
 | | Crystal structure of RNA binding domain of nucleocapsid phosphoprotein from SARS coronavirus 2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-27 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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8VY9
 | | CryoEM structure of Ggust-coupled TAS2R14 with cholesterol and an intracellular tastant | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
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8VY7
 | | CryoEM structure of Gi-coupled TAS2R14 with cholesterol and an intracellular tastant | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
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