6WC2
 
 | | Crystal Structure of a Ternary MEF2 Chimera/NKX2-5/myocardin enhancer DNA Complex | | Descriptor: | Homeobox protein Nkx-2.5, MEF2 Chimera,Myocyte-specific enhancer factor 2B,Myocyte-specific enhancer factor 2A, Myocardin Enhancer DNA | | Authors: | Lei, X, Chen, L. | | Deposit date: | 2020-03-29 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface.
J.Mol.Biol., 432, 2020
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6BYY
 | | MEF2 CHIMERA/DNA Complex | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), ... | | Authors: | Lei, X, Chen, L. | | Deposit date: | 2017-12-21 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Cancer Mutation D83V Induces an alpha-Helix to beta-Strand Conformation Switch in MEF2B.
J. Mol. Biol., 430, 2018
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6C9L
 | | MEF2B Apo Protein Structure | | Descriptor: | Myocyte-specific enhancer factor 2B | | Authors: | Lei, X, Chen, L. | | Deposit date: | 2018-01-26 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Apo MEF2B Reveals New Insights in DNA Binding and Cofactor Interaction.
Biochemistry, 57, 2018
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6BZ1
 | | MEF2 Chimera D83V mutant/DNA complex | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2 CHIMERA | | Authors: | Lei, X, Chen, L. | | Deposit date: | 2017-12-21 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | The Cancer Mutation D83V Induces an alpha-Helix to beta-Strand Conformation Switch in MEF2B.
J. Mol. Biol., 430, 2018
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8JU6
 | | Structure of human TRPV4 with antagonist GSK279 | | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | | Authors: | Fan, J, Lei, X. | | Deposit date: | 2023-06-24 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
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8JU5
 | | Structure of human TRPV4 with antagonist A1 | | Descriptor: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | | Authors: | Fan, J, Lei, X. | | Deposit date: | 2023-06-24 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
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8JVI
 | | Structure of human TRPV4 with antagonist A2 | | Descriptor: | Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | | Authors: | Fan, J, Lei, X. | | Deposit date: | 2023-06-28 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
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8JVJ
 | | Structure of human TRPV4 with antagonist A2 and RhoA | | Descriptor: | Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | | Authors: | Fan, J, Lei, X. | | Deposit date: | 2023-06-28 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
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6WC5
 | | Crystal Structure of a Ternary MEF2B/NKX2-5/myocardin enhancer DNA Complex | | Descriptor: | Homeobox protein Nkx-2.5, Myocardin enhancer DNA, Myocyte-specific enhancer factor 2B | | Authors: | Chen, L, Lei, X. | | Deposit date: | 2020-03-29 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface.
J.Mol.Biol., 432, 2020
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8VY8
 | | Recombinant alpha bungarotoxin complexed with HAP peptide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-bungarotoxin isoform V31, HAP peptide | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of recombinant alpha bungarotoxin complexed with HAP peptide at 2.4 Angstroms resolution.
To Be Published
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3QZR
 | | Human enterovirus 71 3C protease mutant E71A in complex with rupintrivir | | Descriptor: | 1,2-ETHANEDIOL, 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-07 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.039 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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3QZQ
 | | Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir | | Descriptor: | 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-07 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7001 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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3R0F
 | | Human enterovirus 71 3C protease mutant H133G in complex with rupintrivir | | Descriptor: | 1,2-ETHANEDIOL, 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-08 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3083 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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7Y4F
 | | bacterial DPP4 | | Descriptor: | Dipeptidyl peptidase IV | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-06-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.918 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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7Y4G
 | | sit-bound btDPP4 | | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4 | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-06-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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7XJ2
 | | Structure of human TRPV3_G573S in complex with Trpvicin in C4 symmetry | | Descriptor: | Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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7XJ1
 | | Structure of human TRPV3_G573S in complex with Trpvicin in C2 symmetry | | Descriptor: | Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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7XJ3
 | | Structure of human TRPV3 | | Descriptor: | [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, fusion of transient receptor potential cation channel subfamily V member 3 and 3C-GFP | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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7XJ0
 | | Structure of human TRPV3 in complex with Trpvicin | | Descriptor: | Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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8HAY
 | | d4-bound btDPP4 | | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-10-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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7E2V
 | | Crystal structure of MaDA-3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MaDA-3 | | Authors: | Gao, L, Du, X, Fan, J, Lei, X. | | Deposit date: | 2021-02-07 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Enzymatic control of endo- and exo-stereoselective Diels-Alder reactions with broad substrate scope.
Nat Catal, 2021
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7ULG
 | | recombinant alpha cobra toxin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Alpha-cobratoxin | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2022-04-04 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure of recombinant alpha cobra toxin at 1.57 Angstroms
To Be Published
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7ULR
 | | recombinant kappa-bungarotoxin | | Descriptor: | Kappa-bungarotoxin | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2022-04-05 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of recombinant kappa-bungarotoxin at 1.8 Angstroms resolution.
To Be Published
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7ULS
 | | Recombinant muscarinic toxin alpha | | Descriptor: | GLYCEROL, Muscarinic toxin alpha | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2022-04-05 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | recombinant MTalpha at 1.8 Angstroms resolution
To Be Published
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7ULB
 | | recombinant Mambalgin-1 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mambalgin-1 | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2022-04-04 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure of recombinant mambalgin at 2.49 Angstroms resolution.
To Be Published
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