7T1F
 
 | | Crystal structure of GDP-bound T50I mutant of human KRAS4B | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | | Authors: | Zhang, Y, Zhang, C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-12-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation.
JCI Insight, 8, 2023
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8JE4
 | | Crystal structure of LimF prenyltransferase (H239G/W273T mutant) bound with the thiodiphosphate moiety of farnesyl S-thiolodiphosphate (FSPP) | | Descriptor: | MAGNESIUM ION, TRIHYDROGEN THIODIPHOSPHATE, prenyltransferase, ... | | Authors: | Hamada, K, Oguni, A, Zhang, Y, Satake, M, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2023-05-15 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Switching Prenyl Donor Specificities of Cyanobactin Prenyltransferases.
J.Am.Chem.Soc., 145, 2023
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5E18
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4GA3
 | | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | | Descriptor: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2012-07-24 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
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4H6P
 | | Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a R101A substitution. | | Descriptor: | Chromate reductase, FLAVIN MONONUCLEOTIDE | | Authors: | Zhang, Y, Robinson, H, Buchko, G.W. | | Deposit date: | 2012-09-19 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.556 Å) | | Cite: | Mechanistic insights of chromate and uranyl reduction by the NADPH-dependent FMN reductase, ChrR, from Gluconacetobacter hansenii
To be Published
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5E17
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4HS4
 | | Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a Y129N substitution. | | Descriptor: | Chromate reductase, FLAVIN MONONUCLEOTIDE | | Authors: | Zhang, Y, Robinson, H, Buchko, G.W. | | Deposit date: | 2012-10-29 | | Release date: | 2012-12-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic insights of chromate and uranyl reduction by the NADPH-dependent FMN reductase, ChrR, from Gluconacetobacter hansenii
To be Published
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3NTP
 | | Human Pin1 complexed with reduced amide inhibitor | | Descriptor: | (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Zhang, Y. | | Deposit date: | 2010-07-05 | | Release date: | 2012-01-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state.
Biochemistry, 50, 2011
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3PWR
 | | HIV-1 Protease Mutant L76V complexed with Saquinavir | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Zhang, Y, Weber, I.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
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5HYN
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide | | Descriptor: | H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J. | | Deposit date: | 2016-02-01 | | Release date: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016
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3PWM
 | | HIV-1 Protease Mutant L76V with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Zhang, Y, Weber, I.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
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3RY0
 | | Crystal structure of TomN, a 4-Oxalocrotonate Tautomerase homologue in Tomaymycin biosynthetic pathway | | Descriptor: | Putative tautomerase | | Authors: | Zhang, Y, Yan, W.P, Li, W.Z, Whitman, C.P. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Kinetic, Crystallographic, and Mechanistic Characterization of TomN: Elucidation of a Function for a 4-Oxalocrotonate Tautomerase Homologue in the Tomaymycin Biosynthetic Pathway.
Biochemistry, 50, 2011
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5CQT
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-22 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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5CY9
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-30 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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5CRZ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-23 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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8J3V
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5DX4
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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8E4V
 | | Solution structure of the WH domain of MORF | | Descriptor: | Isoform 3 of Histone acetyltransferase KAT6B | | Authors: | Zhang, Y, Kutateladze, T.G. | | Deposit date: | 2022-08-19 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | MORF and MOZ acetyltransferases target unmethylated CpG islands through the winged helix domain.
Nat Commun, 14, 2023
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5LQ6
 | | Salmonella effector SpvD - R161 variant | | Descriptor: | SODIUM ION, Virulence protein vsdE | | Authors: | Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
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6URG
 | | Cryo-EM structure of human CPSF160-WDR33-CPSF30-CPSF100 PIM complex | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 4, ... | | Authors: | Sun, Y, Zhang, Y, Walz, T, Tong, L. | | Deposit date: | 2019-10-23 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery.
Mol.Cell, 77, 2020
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8KHF
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8KI3
 | | Structure of the human ATP synthase bound to bedaquiline (composite) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ... | | Authors: | Lai, Y, Zhang, Y, Gong, H. | | Deposit date: | 2023-08-22 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
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6URO
 | | Cryo-EM structure of human CPSF160-WDR33-CPSF30-PAS RNA-CstF77 complex | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, Cleavage stimulation factor subunit 3, ... | | Authors: | Sun, Y, Zhang, Y, Walz, T, Tong, L. | | Deposit date: | 2019-10-23 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery.
Mol.Cell, 77, 2020
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5WTB
 | | Complex Structure of Staphylococcus aureus SdrE with human complement factor H | | Descriptor: | Peptide from Complement factor H, Serine-aspartate repeat-containing protein E | | Authors: | Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X. | | Deposit date: | 2016-12-10 | | Release date: | 2017-07-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion
Biochem. J., 474, 2017
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5WTA
 | | Crystal Structure of Staphylococcus aureus SdrE apo form | | Descriptor: | Serine-aspartate repeat-containing protein E | | Authors: | Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X. | | Deposit date: | 2016-12-10 | | Release date: | 2017-07-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion
Biochem. J., 474, 2017
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