6JJB
 
 | | BRD4 in complex with ZZM1 | | Descriptor: | 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
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7Y0V
 | | The co-crystal structure of BA.1-RBD with Fab-5549 | | Descriptor: | 5549-Fab, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Xiao, J.Y, Zhang, Y. | | Deposit date: | 2022-06-06 | | Release date: | 2022-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
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1XPC
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7WRY
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1XP1
 | | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 | | Descriptor: | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor | | Authors: | Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2004-10-07 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
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1XP9
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1XP6
 | | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16 | | Descriptor: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor | | Authors: | Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2004-10-08 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
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6JJ3
 | | BRD4 in complex with 138A | | Descriptor: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
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5X6O
 | | Intact ATR/Mec1-ATRIP/Ddc2 complex | | Descriptor: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | | Authors: | Wang, X, Ran, T, Cai, G. | | Deposit date: | 2017-02-22 | | Release date: | 2017-12-20 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | 3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP.
Science, 358, 2017
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7WKC
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6KZC
 | | crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide | | Descriptor: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor | | Authors: | Zhang, Z.M, Wang, Y. | | Deposit date: | 2019-09-23 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
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1Q38
 | | Anastellin | | Descriptor: | Fibronectin | | Authors: | Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R. | | Deposit date: | 2003-07-28 | | Release date: | 2003-11-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors
J.Mol.Biol., 332, 2003
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7E7Q
 | | Cryo-EM structure of human ABCA4 in ATP-bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Xie, T, Zhang, Z.K, Gong, X. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
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7E7O
 | | Cryo-EM structure of human ABCA4 in NRPE-bound state | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Retinal-specific phospholipid-transporting ATPase ABCA4, ... | | Authors: | Xie, T, Zhang, Z.K, Gong, X. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
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7E7I
 | | Cryo-EM structure of human ABCA4 in the apo state | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Retinal-specific phospholipid-transporting ATPase ABCA4, ... | | Authors: | Xie, T, Zhang, Z.K, Gong, X. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
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7DY6
 | | A refined cryo-EM structure of an Escherichia coli RNAP-promoter open complex (RPo) with SspA | | Descriptor: | DNA (63-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Lin, W. | | Deposit date: | 2021-01-20 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | A unique binding between SspA and RNAP beta' NTH across low-GC Gram-negative bacteria facilitates SspA-mediated transcription regulation.
Biochem.Biophys.Res.Commun., 583, 2021
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2MG8
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7VKH
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7VKG
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4LH9
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5YOF
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7EY5
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2LWK
 | | Solution structure of small molecule-influenza RNA complex | | Descriptor: | 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine, RNA (32-MER) | | Authors: | Lee, M.-K, Varani, G, Choi, B.-S, Pellecchia, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication.
Chem.Commun.(Camb.), 50, 2014
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7EQL
 | | Crystal structure of (+)-pulegone reductase from Mentha piperita | | Descriptor: | (+)-pulegone reductase | | Authors: | Lin, W. | | Deposit date: | 2021-05-03 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Functional Characterization and Structural Insights Into Stereoselectivity of Pulegone Reductase in Menthol Biosynthesis.
Front Plant Sci, 12, 2021
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5YB1
 | | Structure and function of human serum albumin-metal agent complex | | Descriptor: | PALMITIC ACID, Serum albumin, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine | | Authors: | Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L. | | Deposit date: | 2017-09-02 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.616 Å) | | Cite: | Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin.
Mol. Pharm., 15, 2018
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