5Y8W
 
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y94
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y8Y
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y8Z
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y8C
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y93
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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2EW7
 | | Crystal Structure of Helicobacter Pylori peptide deformylase | | Descriptor: | COBALT (II) ION, peptide deformylase | | Authors: | Cai, J. | | Deposit date: | 2005-11-02 | | Release date: | 2006-10-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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2EW6
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | Descriptor: | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase | | Authors: | Cai, J. | | Deposit date: | 2005-11-02 | | Release date: | 2006-10-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | Authors: | zhang, Y, Li, C.C, wu, X.S. | | Deposit date: | 2018-12-28 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
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7X4E
 | | Structure of 10635-DndE | | Descriptor: | DNA sulfur modification protein DndE, GLYCEROL | | Authors: | Haiyan, G, Wei, H, Chen, S, Wang, L, Wu, G. | | Deposit date: | 2022-03-02 | | Release date: | 2022-04-20 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural and Functional Analysis of DndE Involved in DNA Phosphorothioation in the Haloalkaliphilic Archaea Natronorubrum bangense JCM10635.
Mbio, 13, 2022
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6RVV
 | | Structure of left-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | | Descriptor: | GOLD ION, Transcription attenuation protein MtrB | | Authors: | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | | Deposit date: | 2019-06-03 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
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6CN2
 | | Crystal structure of zebrafish Phosphatidylinositol-4-phosphate 5- kinase alpha isoform D236N with bound ATP/Ca2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Phosphatidylinositol-4-phosphate 5-kinase, ... | | Authors: | Zeng, X, Sui, D, Hu, J. | | Deposit date: | 2018-03-07 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structural insights into lethal contractural syndrome type 3 (LCCS3) caused by a missense mutation of PIP5K gamma.
Biochem. J., 475, 2018
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6CMW
 | | Crystal structure of zebrafish Phosphatidylinositol-4-phosphate 5- kinase alpha isoform with bound ATP/Ca2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Phosphatidylinositol-4-phosphate 5-kinase, ... | | Authors: | Zeng, X, Sui, D, Hu, J. | | Deposit date: | 2018-03-06 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural insights into lethal contractural syndrome type 3 (LCCS3) caused by a missense mutation of PIP5K gamma.
Biochem. J., 475, 2018
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6CN3
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6RVW
 | | Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | | Descriptor: | GOLD ION, Transcription attenuation protein MtrB | | Authors: | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | | Deposit date: | 2019-06-03 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
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7CCI
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7CCH
 | | Acinetobacter baumannii histidine kinase AdeS | | Descriptor: | AdeS | | Authors: | Wen, Y, Felix, J. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.848 Å) | | Cite: | Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS.
Iscience, 24, 2021
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6PQV
 | | E. coli ATP Synthase State 1e | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-07-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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7SHE
 | | Cryo-EM structure of human GPR158 | | Descriptor: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | | Authors: | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-01 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
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7SHF
 | | Cryo-EM structure of GPR158 coupled to the RGS7-Gbeta5 complex | | Descriptor: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | | Authors: | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-01 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
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7UL1
 | | Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ... | | Authors: | Chen, Y, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2022-04-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
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7UL0
 | | Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH8, ... | | Authors: | Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M. | | Deposit date: | 2022-04-03 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
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6OQS
 | | E. coli ATP synthase State 1b | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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6OQU
 | | E. coli ATP synthase State 1d | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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6OQW
 | | E. coli ATP synthase State 3a | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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