8A2J
 
 | | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP | | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
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8A2I
 | | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP | | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
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7ZQ0
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (1000 frames) | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | Deposit date: | 2022-04-29 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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7X3Z
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD | | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, T, Lin, S.X, Yin, H. | | Deposit date: | 2022-03-01 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1.
J.Steroid Biochem.Mol.Biol., 228, 2023
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4GWN
 | | Crystal structure of human mature meprin beta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | | Deposit date: | 2012-09-03 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GWM
 | | Crystal structure of human promeprin beta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | | Deposit date: | 2012-09-03 | | Release date: | 2012-09-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane
Proc.Natl.Acad.Sci.USA, 109, 2012
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8RDR
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g | | Descriptor: | (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDS
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i | | Descriptor: | (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDT
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j | | Descriptor: | (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDQ
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b | | Descriptor: | (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDP
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a | | Descriptor: | (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RRQ
 | | Crystal structure of human SYK in complex with compound 24 | | Descriptor: | GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Canevari, G. | | Deposit date: | 2024-01-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
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8RRZ
 | | Crystal structure of SYK kinase in complex with compound 1 | | Descriptor: | GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Canevari, G. | | Deposit date: | 2024-01-24 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
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8RMO
 | | Crystal structure of anti-FLAG M2 Fab fragment bound to FLAG-tag peptide epitope | | Descriptor: | CHLORIDE ION, FLAG-tag, anti-FLAG M2 heavy chain, ... | | Authors: | Beugelink, J.W, Janssen, B.J.C, Pronker, M.F. | | Deposit date: | 2024-01-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.163 Å) | | Cite: | Structural Basis for Recognition of the FLAG-tag by Anti-FLAG M2.
J.Mol.Biol., 436, 2024
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8RGI
 | | Structure of DYNLT1:DYNLT2B (TCTEX1:TCTEX1D2) heterodimer. | | Descriptor: | Dynein light chain Tctex-type 1, Dynein light chain Tctex-type protein 2B | | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | | Deposit date: | 2023-12-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport.
Embo J., 43, 2024
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7SN0
 | | Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Abraham, J, Clark, S. | | Deposit date: | 2021-10-27 | | Release date: | 2021-12-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
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7SN3
 | | Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Abraham, J, Shankar, S. | | Deposit date: | 2021-10-27 | | Release date: | 2021-12-08 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
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7SN1
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7SN2
 | | Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Abraham, J, Yang, P, Shankar, S. | | Deposit date: | 2021-10-27 | | Release date: | 2021-12-08 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
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8T62
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8T61
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8T63
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7TDM
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7TDN
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6EE0
 | | Crystal Structure of SNX23 PX domain | | Descriptor: | Kinesin-like protein KIF16B | | Authors: | Chandra, M, Collins, B.M. | | Deposit date: | 2018-08-12 | | Release date: | 2018-08-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.518 Å) | | Cite: | Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
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