6K9G
 
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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1YT7
 | | Cathepsin K complexed with a constrained ketoamide inhibitor | | Descriptor: | (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE, Cathepsin K, SULFATE ION | | Authors: | Barrett, D.G, Boncek, V.M, Catalano, J.G, Deaton, D.N, Hassell, A.M, Jurgensen, C.H, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Ray, J.A, Samano, V, Shewchuk, L.M, Tavares, F.X, Wells-Knecht, K.J, Willard, D.H, Wright, L.L, Zhou, H.Q. | | Deposit date: | 2005-02-10 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
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6KNK
 | | Crystal structure of SbnH in complex with citryl-diaminoethane | | Descriptor: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ... | | Authors: | Tang, J, Ju, Y, Zhou, H. | | Deposit date: | 2019-08-05 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
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6IDE
 | | Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | | Descriptor: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | | Authors: | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | | Deposit date: | 2018-09-09 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design.
J. Biol. Chem., 294, 2019
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7D5C
 | | IleRS in complex with a tRNA site inhibitor | | Descriptor: | (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid, 1,2-ETHANEDIOL, Isoleucine--tRNA ligase, ... | | Authors: | Chen, B, Luo, S, Zhou, H. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase.
Nat Commun, 12, 2021
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6K9M
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-16 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors.
Eur.J.Med.Chem., 206, 2020
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6KJU
 | | Huge conformation shift of Vibrio cholerae VqmA dimer in the absence of target DNA provides insight into DNA-binding mechanisms of LuxR-type receptors | | Descriptor: | 3,5-dimethylpyrazin-2-ol, Helix-turn-helix transcriptional regulator | | Authors: | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Wang, W.W, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | | Deposit date: | 2019-07-23 | | Release date: | 2019-11-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Large conformation shifts of Vibrio cholerae VqmA dimer in the absence of target DNA provide insight into DNA-binding mechanisms of LuxR-type receptors.
Biochem.Biophys.Res.Commun., 520, 2019
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7C7M
 | | The structure of SAM-bound CntL, an aminobutyrate transferase in staphylopine biosysnthesis | | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYLMETHIONINE, Staphylopine biosynthesis enzyme CntL | | Authors: | Luo, Z, Luo, S, Zhou, H. | | Deposit date: | 2020-05-26 | | Release date: | 2021-04-28 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
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7CBH
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | Descriptor: | Threonine--tRNA ligase, ZINC ION, [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate | | Authors: | Guo, J, Chen, B, Zhou, H. | | Deposit date: | 2020-06-12 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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3E5J
 | | Crystal structure of CYP105P1 wild-type ligand-free form | | Descriptor: | Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | | Deposit date: | 2008-08-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state
J.Bacteriol., 191, 2009
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3E5K
 | | Crystal structure of CYP105P1 wild-type 4-phenylimidazole complex | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | | Deposit date: | 2008-08-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state
J.Bacteriol., 191, 2009
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2HTJ
 | | NMR structure of E.coli PapI | | Descriptor: | P fimbrial regulatory protein KS71A | | Authors: | Kawamura, T, Zhou, H, Le, L.U.K, Dahlquist, F.W. | | Deposit date: | 2006-07-25 | | Release date: | 2007-01-30 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Escherichia coli PapI, a Key Regulator of the Pap Pili Phase Variation.
J.Mol.Biol., 365, 2007
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3E5L
 | | Crystal structure of CYP105P1 H72A mutant | | Descriptor: | Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | | Deposit date: | 2008-08-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state
J.Bacteriol., 191, 2009
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6KG7
 | | Cryo-EM Structure of the Mammalian Tactile Channel Piezo2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2 | | Authors: | Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B. | | Deposit date: | 2019-07-11 | | Release date: | 2019-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure and mechanogating of the mammalian tactile channel PIEZO2.
Nature, 573, 2019
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6KNH
 | | Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis | | Descriptor: | CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein | | Authors: | Tang, J, Ju, Y, Zhou, H. | | Deposit date: | 2019-08-05 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
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6K7X
 | | Human MCU-EMRE complex | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhuo, W, Zhou, H, Yang, M. | | Deposit date: | 2019-06-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structure of intact human MCU supercomplex with the auxiliary MICU subunits.
Protein Cell, 12, 2021
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6KNI
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6K7Y
 | | Intact human mitochondrial calcium uniporter complex with MICU1/MICU2 subunits | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhuo, W, Zhou, H, Yang, M. | | Deposit date: | 2019-06-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of intact human MCU supercomplex with the auxiliary MICU subunits.
Protein Cell, 12, 2021
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6J60
 | | hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217) | | Descriptor: | 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1 | | Authors: | Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.96 Å) | | Cite: | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
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8WWQ
 | | geniposidic acid O-methyltransferase complexed with SAH and geniposidic acid | | Descriptor: | 1,2-ETHANEDIOL, Geniposidic acid, MAGNESIUM ION, ... | | Authors: | Luo, Z, Li, L, Ma, D, Zhou, H. | | Deposit date: | 2023-10-26 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.958 Å) | | Cite: | Structural insights into the substrate specificity of GAMT and divergence of seco-iridoid and closed-ring iridoid
To Be Published
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7E5Y
 | | Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | | Deposit date: | 2021-02-21 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries.
Cell Discov, 7, 2021
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6KAG
 | | Crystal structure of the SMARCB1/SMARCC2 subcomplex | | Descriptor: | SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | | Authors: | Chen, G, Zhou, H, Giancotti, F.G, Long, J. | | Deposit date: | 2019-06-22 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | A heterotrimeric SMARCB1-SMARCC2 subcomplex is required for the assembly and tumor suppression function of the BAF chromatin-remodeling complex.
Cell Discov, 6, 2020
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5ID4
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5IDR
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6L2P
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