5OQ4
 
 | | PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology | | Descriptor: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Williams, R.L, Zhang, X. | | Deposit date: | 2017-08-10 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology.
J. Med. Chem., 60, 2017
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8CEB
 | | Type2 alpha-synuclein filament assembled in vitro by wild-type and mutant (7 residues insertion) protein | | Descriptor: | Alpha-synuclein | | Authors: | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Sew, P.C, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | | Deposit date: | 2023-02-01 | | Release date: | 2023-03-08 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy.
Acta Neuropathol, 145, 2023
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1NGN
 | | Mismatch repair in methylated DNA. Structure of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4 | | Descriptor: | methyl-CpG binding protein MBD4 | | Authors: | Wu, P, Qiu, C, Sohail, A, Zhang, X, Bhagwat, A.S, Cheng, X. | | Deposit date: | 2002-12-17 | | Release date: | 2003-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mismatch repair in methylated DNA. Structure and activity of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4
J.Biol.Chem., 278, 2003
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1AWP
 | | RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5 | | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, X, Zhang, X. | | Deposit date: | 1997-10-03 | | Release date: | 1998-10-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The reduction potential of cytochrome b5 is modulated by its exposed heme edge.
Biochemistry, 37, 1998
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7YMM
 | | PSII-Pcb Tetramer of Acaryochloris Marina | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Shen, L.L, Gao, Y.Z, Wang, W.D, Zhang, X, Shen, J.R, Wang, P.Y, Han, G.Y. | | Deposit date: | 2022-07-28 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of a large photosystem II supercomplex from Acaryochloris marina.
To Be Published
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5CP7
 | | Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides | | Descriptor: | Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7 | | Authors: | Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X. | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
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3O05
 | | Crystal Structure of Yeast Pyridoxal 5-Phosphate Synthase Snz1 Complxed with Substrate PLP | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Pyridoxine biosynthesis protein SNZ1 | | Authors: | Teng, Y.B, Zhang, X, He, Y.X, Hu, H.X, Zhou, C.Z. | | Deposit date: | 2010-07-19 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the catalytic mechanism of the yeast pyridoxal 5-phosphate synthase Snz1
Biochem.J., 432, 2010
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3KH8
 | | Crystal structure of MaoC-like dehydratase from Phytophthora Capsici | | Descriptor: | MaoC-like dehydratase | | Authors: | Wang, H, Zhang, K, Guo, J, Zhou, Q, Zheng, X, Sun, F, Pang, H, Zhang, X. | | Deposit date: | 2009-10-30 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of MaoC-like dehydratase from Phytophthora Capsici
To be Published
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5XNM
 | | Structure of unstacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | | Deposit date: | 2017-05-23 | | Release date: | 2017-09-20 | | Last modified: | 2019-05-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
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5XNL
 | | Structure of stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | | Deposit date: | 2017-05-23 | | Release date: | 2017-09-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
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6IYA
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8KC7
 | | Rpd3S histone deacetylase complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J. | | Deposit date: | 2023-08-06 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
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8II0
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine | | Descriptor: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | Deposit date: | 2023-02-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
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8IHZ
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine | | Descriptor: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | Deposit date: | 2023-02-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
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1BML
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8W4V
 | | Crystal structure of human HSP90 in complex with compound 4 | | Descriptor: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Xu, C, Zhang, X.L, Bai, F. | | Deposit date: | 2023-08-25 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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8W8K
 | | Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation | | Descriptor: | 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Xu, C, Zhang, X.L, Bai, F. | | Deposit date: | 2023-09-03 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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8A9L
 | | Cryo-EM structure of alpha-synuclein filaments from Parkinson's disease and dementia with Lewy bodies | | Descriptor: | Alpha-synuclein, Unknown fragment | | Authors: | Yang, Y, Shi, Y, Schweighauser, M, Zhang, X.J, Kotecha, A, Murzin, A.G, Garringer, H.J, Cullinane, P, Saito, Y, Foroud, T, Warner, T.T, Hasegawa, K, Vidal, R, Murayama, S, Revesz, T, Ghetti, B, Hasegawa, M, Lashley, T, Scheres, H.W.S, Goedert, M. | | Deposit date: | 2022-06-28 | | Release date: | 2022-08-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structures of alpha-synuclein filaments from human brains with Lewy pathology.
Nature, 610, 2022
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6W3I
 | | Crystal structure of a FAM46C mutant in complex with Plk4 | | Descriptor: | Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C | | Authors: | Chen, H, Shang, G.J, Lu, D.F, Zhang, X.W. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.802 Å) | | Cite: | Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
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6W38
 | | Crystal structure of the FAM46C/Plk4 complex | | Descriptor: | Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C | | Authors: | Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (4.48 Å) | | Cite: | Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
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6W36
 | | Crystal structure of FAM46C | | Descriptor: | SULFATE ION, Terminal nucleotidyltransferase 5C | | Authors: | Shang, G.J, Zhang, X.W, Chen, H, Lu, D.F. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.854 Å) | | Cite: | Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
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4ZDS
 | | Crystal Structure of core DNA binding domain of Arabidopsis Thaliana Transcription Factor Ethylene-Insensitive 3 | | Descriptor: | Protein ETHYLENE INSENSITIVE 3 | | Authors: | Song, J, Zhu, C, Zhang, X, Wen, X, Liu, L, Peng, J, Guo, H, Yi, C. | | Deposit date: | 2015-04-18 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Biochemical and Structural Insights into the Mechanism of DNA Recognition by Arabidopsis ETHYLENE INSENSITIVE3.
Plos One, 10, 2015
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6VXK
 | | Cryo-EM Structure of the full-length A39R/PlexinC1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-C1, Semaphorin-like protein 139 | | Authors: | Kuo, Y.-C, Chen, H, Shang, G, Uchikawa, E, Tian, H, Bai, X, Zhang, X. | | Deposit date: | 2020-02-22 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of the PlexinC1/A39R complex reveals inter-domain interactions critical for ligand-induced activation.
Nat Commun, 11, 2020
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6W3J
 | | Crystal structure of the FAM46C/Plk4/Cep192 complex | | Descriptor: | Centrosomal protein of 192 kDa, Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C | | Authors: | Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (4.385 Å) | | Cite: | Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
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8WQL
 | | In situ PBS-PSII supercomplex from cyanobacterial Spirulina platensis | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | You, X, Zhang, X, Xiao, Y.N, Sun, S, Sui, S.F. | | Deposit date: | 2023-10-11 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of in situ PBS-PSII supercomplex at 3.5 Angstroms resolution.
To Be Published
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