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8JXX
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BU of 8jxx by Molmil
Clobenpropit-bound H4R/Gi complex
Descriptor: 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
8JXW
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BU of 8jxw by Molmil
VUF6884-bound H4R/Gi complex
Descriptor: 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
8JXV
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BU of 8jxv by Molmil
Clozapine-bound H4R/Gi complex
Descriptor: 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
7YUF
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BU of 7yuf by Molmil
apo human SPNS2
Descriptor: NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ...
Authors:He, Y, Duan, Y.
Deposit date:2022-08-17
Release date:2023-09-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
7YUD
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BU of 7yud by Molmil
FTY720p-bound human SPNS2
Descriptor: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, NbFab L-chain, NbFab-H-chain, ...
Authors:He, Y, Duan, Y.
Deposit date:2022-08-17
Release date:2023-09-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
6LG2
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BU of 6lg2 by Molmil
VanR bound to Vanillate
Descriptor: 4-HYDROXY-3-METHOXYBENZOATE, Predicted transcriptional regulators
Authors:He, Y, Bharath, S.R, Song, H.
Deposit date:2019-12-04
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Developing a highly efficient hydroxytyrosol whole-cell catalyst by de-bottlenecking rate-limiting steps.
Nat Commun, 11, 2020
2W66
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BU of 2w66 by Molmil
BtGH84 in complex with HQ602
Descriptor: CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ...
Authors:He, Y, Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
2W67
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BU of 2w67 by Molmil
BtGH84 in complex with FMA34
Descriptor: CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ...
Authors:He, Y, Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
6UXW
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BU of 6uxw by Molmil
SWI/SNF nucleosome complex with ADP-BeFx
Descriptor: 601 sequence bottom strand, 601 sequence top strand, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:He, Y, Han, Y.
Deposit date:2019-11-08
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (8.96 Å)
Cite:Cryo-EM structure of SWI/SNF complex bound to a nucleosome.
Nature, 579, 2020
6UXV
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BU of 6uxv by Molmil
SWI/SNF Body Module
Descriptor: SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF chromatin-remodeling complex subunit SWI1, SWI/SNF complex subunit SWI3, ...
Authors:He, Y, Han, Y.
Deposit date:2019-11-08
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structure of SWI/SNF complex bound to a nucleosome.
Nature, 579, 2020
8WW2
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BU of 8ww2 by Molmil
GPR3/Gs complex
Descriptor: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Xiong, Y.
Deposit date:2023-10-24
Release date:2024-02-14
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
8GRR
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BU of 8grr by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Kun, L.
Deposit date:2022-09-02
Release date:2023-10-11
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
8GSP
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BU of 8gsp by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Li, K.
Deposit date:2022-09-06
Release date:2023-10-11
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
2KDM
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BU of 2kdm by Molmil
NMR structures of GA95 and GB95, two designed proteins with 95% sequence identity but different folds and functions
Descriptor: DESIGNED PROTEIN
Authors:He, Y, Alexander, P, Chen, Y, Bryan, P, Orban, J.
Deposit date:2009-01-12
Release date:2009-12-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:From the Cover: A minimal sequence code for switching protein structure and function.
Proc.Natl.Acad.Sci.USA, 106, 2009
2KDL
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BU of 2kdl by Molmil
NMR structures of GA95 and GB95, two designed proteins with 95% sequence identity but different folds and functions
Descriptor: designed protein
Authors:He, Y, Alexander, P, Chen, Y, Bryan, P, Orban, J.
Deposit date:2009-01-12
Release date:2009-12-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A minimal sequence code for switching protein structure and function.
Proc.Natl.Acad.Sci.USA, 106, 2009
2MH8
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BU of 2mh8 by Molmil
GA-79-MBP cs-rosetta structures
Descriptor: GA-79-MBP, maltose binding protein
Authors:He, Y, Chen, Y, Porter, L, Bryan, P, Orban, J.
Deposit date:2013-11-19
Release date:2015-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Subdomain interactions foster the design of two protein pairs with 80% sequence identity but different folds.
Biophys.J., 108, 2015
2WCA
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BU of 2wca by Molmil
BtGH84 in complex with n-butyl pugnac
Descriptor: CALCIUM ION, O-GLCNACASE BT_4395, [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
Authors:He, Y, Davies, G.J.
Deposit date:2009-03-10
Release date:2009-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight Into a Strategy for Attenuating Ampc- Mediated Beta-Lactam Resistance: Structural Basis for Selective Inhibition of the Glycoside Hydrolase Nagz.
Protein Sci., 18, 2009
2VVN
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BU of 2vvn by Molmil
BtGH84 in complex with NH-Butylthiazoline
Descriptor: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, AMMONIUM ION, GLYCEROL, ...
Authors:He, Y, Davies, G.J.
Deposit date:2008-06-10
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Potent Mechanism-Inspired O-Glcnacase Inhibitor that Blocks Phosphorylation of Tau in Vivo.
Nat.Chem.Biol., 4, 2008
6LPM
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BU of 6lpm by Molmil
Crystal structure of AP endonuclease from Deinococcus radioduran
Descriptor: Exodeoxyribonuclease III
Authors:Zhao, Y, He, Y.
Deposit date:2020-01-11
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of a Unique AP Endonuclease From Deinococcus radiodurans .
Front Microbiol, 11, 2020
2MJY
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BU of 2mjy by Molmil
Solution structure of synthetic Mamba-1 peptide
Descriptor: Mambalgin-1
Authors:He, Y, Wu, F, Tian, C.
Deposit date:2014-01-21
Release date:2015-01-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:One-pot hydrazide-based native chemical ligation for efficient chemical synthesis and structure determination of toxin Mambalgin-1
Chem.Commun.(Camb.), 50, 2014
1JSP
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BU of 1jsp by Molmil
NMR Structure of CBP Bromodomain in complex with p53 peptide
Descriptor: CREB-BINDING PROTEIN, tumor protein p53
Authors:He, Y, Mujtaba, S, Zeng, L, Yan, S, Zhou, M.-M.
Deposit date:2001-08-17
Release date:2002-08-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural mechanism of the bromodomain of the coactivator CBP in p53 transcriptional activation.
Mol.Cell, 13, 2004
1JEW
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BU of 1jew by Molmil
CRYO-EM STRUCTURE OF COXSACKIEVIRUS B3(M STRAIN) WITH ITS CELLULAR RECEPTOR, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR (CAR).
Descriptor: COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, COXSACKIEVIRUS CAPSID, COAT PROTEIN VP1, ...
Authors:Rossmann, M.G, He, Y.
Deposit date:2001-06-19
Release date:2001-10-03
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (22 Å)
Cite:Interaction of coxsackievirus B3 with the full length coxsackievirus-adenovirus receptor.
Nat.Struct.Biol., 8, 2001
4AIS
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BU of 4ais by Molmil
A complex structure of BtGH84
Descriptor: GLYCEROL, GLYCOLIC ACID, O-GLCNACASE BT_4395
Authors:He, Y, Davies, G.J.
Deposit date:2012-02-13
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012
4AIU
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BU of 4aiu by Molmil
A complex structure of BtGH84
Descriptor: (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, O-GLCNACASE BT_4395
Authors:He, Y, Davies, G.J.
Deposit date:2012-02-13
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012
3KX2
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BU of 3kx2 by Molmil
Crystal structure of Prp43p in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43
Authors:Nielsen, K.H, Andersen, G.R, He, Y.
Deposit date:2009-12-02
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the function of DEAH helicases
Embo Rep., 11, 2010

224004

PDB entries from 2024-08-21

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