8EL2
 
 | | SARS-CoV-2 RBD bound to neutralizing antibody Fab ICO-hu23 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ICO-hu23 Heavy Chain, Fab ICO-hu23 Light Chain, ... | | Authors: | Besaw, J.E, Kuo, A, Morizumi, T, Ernst, O.P. | | Deposit date: | 2022-09-22 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates.
Plos Pathog., 19, 2023
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8EL0
 | | Structure of MBP-Mcl-1 in complex with a macrocyclic compound | | Descriptor: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | | Deposit date: | 2022-09-22 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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8EL1
 | | Structure of MBP-Mcl-1 in complex with ABBV-467 | | Descriptor: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | | Deposit date: | 2022-09-22 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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8EKX
 | | Structure of MBP-Mcl-1 in complex with MIK665 | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | | Deposit date: | 2022-09-22 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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5I35
 | | Structure of the Human mitochondrial kinase COQ8A R611K with AMPPNP (Cerebellar Ataxia and Ubiquinone Deficiency Through Loss of Unorthodox Kinase Activity) | | Descriptor: | Atypical kinase ADCK3, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Bingman, C.A, Stefely, J.A, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2016-02-09 | | Release date: | 2016-08-17 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cerebellar Ataxia and Coenzyme Q Deficiency through Loss of Unorthodox Kinase Activity.
Mol.Cell, 63, 2016
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5MGQ
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1HSQ
 | | SOLUTION STRUCTURE OF THE SH3 DOMAIN OF PHOSPHOLIPASE CGAMMA | | Descriptor: | PHOSPHOLIPASE C-GAMMA (SH3 DOMAIN) | | Authors: | Kohda, D, Hatanaka, H, Odaka, M, Inagaki, F. | | Deposit date: | 1994-06-13 | | Release date: | 1994-08-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain of phospholipase C-gamma.
Cell(Cambridge,Mass.), 72, 1993
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3ZEJ
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3ZEK
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5D10
 | | Kinase domain of cSrc in complex with RL236 | | Descriptor: | N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Becker, C, Mayer-Wrangowski, S.C, Julian, E, Rauh, D. | | Deposit date: | 2015-08-03 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
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2HSP
 | | SOLUTION STRUCTURE OF THE SH3 DOMAIN OF PHOSPHOLIPASE CGAMMA | | Descriptor: | PHOSPHOLIPASE C-GAMMA (SH3 DOMAIN) | | Authors: | Kohda, D, Hatanaka, H, Odaka, M, Inagaki, F. | | Deposit date: | 1994-06-13 | | Release date: | 1994-08-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain of phospholipase C-gamma.
Cell(Cambridge,Mass.), 72, 1993
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6R2J
 | | Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | | Deposit date: | 2019-03-18 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
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3H0E
 | | 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3 | | Descriptor: | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3 | | Authors: | Xu, W. | | Deposit date: | 2009-04-09 | | Release date: | 2009-11-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17, 2009
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1PBW
 | | STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE | | Authors: | Musacchio, A, Cantley, L.C, Harrison, S.C. | | Deposit date: | 1996-10-17 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the breakpoint cluster region-homology domain from phosphoinositide 3-kinase p85 alpha subunit.
Proc.Natl.Acad.Sci.USA, 93, 1996
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5N47
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5N48
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5UUN
 | | Crystal structure of SARO_2595 from Novosphingobium aromaticivorans | | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase-like protein | | Authors: | Bingman, C.A, Kontur, W.S, Olmsted, C.N, Fox, B.G, Donohue, T.J. | | Deposit date: | 2017-02-17 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin.
J. Biol. Chem., 293, 2018
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8G08
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8G09
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8G0B
 | | Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase FO region | | Descriptor: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ATP synthase subunit a, ATP synthase subunit b, ... | | Authors: | Courbon, G.M, Rubinstein, J.L. | | Deposit date: | 2023-01-31 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
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8G0C
 | | Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 1 (backbone model) | | Descriptor: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Courbon, G.M, Rubinstein, J.L. | | Deposit date: | 2023-01-31 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
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8G0E
 | | Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 3 | | Descriptor: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Courbon, G.M, Rubinstein, J.L. | | Deposit date: | 2023-01-31 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
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8G0A
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8G07
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8G0D
 | | Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 2 (backbone model) | | Descriptor: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Courbon, G.M, Rubinstein, J.L. | | Deposit date: | 2023-01-31 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
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