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PDB: 639 results

5V5L
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BU of 5v5l by Molmil
Crystal structure of HLA-B*5801 complex with HIV-1 gag derived peptide TW10
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-58 alpha chain, ...
Authors:Li, X, Wang, J.-H.
Deposit date:2017-03-14
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal structure of HLA-B*5801 with a TW10 HIV Gag epitope reveals a novel mode of peptide presentation.
Cell. Mol. Immunol., 14, 2017
5VB6
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BU of 5vb6 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
7CR2
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BU of 7cr2 by Molmil
human KCNQ2 in complex with retigabine
Descriptor: Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR7
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BU of 7cr7 by Molmil
human KCNQ2-CaM in complex with retigabine
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR0
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BU of 7cr0 by Molmil
human KCNQ2 in apo state
Descriptor: Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
5U73
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BU of 5u73 by Molmil
Crystal structure of human Niemann-Pick C1 protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Niemann-Pick C1 protein, ...
Authors:Li, X, Wang, J, Blobel, G.
Deposit date:2016-12-11
Release date:2017-09-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.348 Å)
Cite:3.3 angstrom structure of Niemann-Pick C1 protein reveals insights into the function of the C-terminal luminal domain in cholesterol transport.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7CR3
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BU of 7cr3 by Molmil
human KCNQ2-CaM in apo state
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR4
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BU of 7cr4 by Molmil
human KCNQ2-CaM in complex with ztz240
Descriptor: Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
5WNE
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BU of 5wne by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: 3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide, GLYCEROL, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
7CR1
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BU of 7cr1 by Molmil
human KCNQ2 in complex with ztz240
Descriptor: N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
5WNG
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BU of 5wng by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: (2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
5WNH
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BU of 5wnh by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
Descriptor: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5V5M
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BU of 5v5m by Molmil
Crystal structure of HLA-B*5701 complex with HIV-1 gag derived peptide TW10
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ...
Authors:Li, X, Wang, J.-H.
Deposit date:2017-03-14
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Crystal structure of HLA-B*5801 with a TW10 HIV Gag epitope reveals a novel mode of peptide presentation.
Cell. Mol. Immunol., 14, 2017
5VB5
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BU of 5vb5 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5WNF
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BU of 5wnf by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide, GLYCEROL, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
4KMP
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BU of 4kmp by Molmil
Structure of XIAP-BIR3 and inhibitor
Descriptor: (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide], E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Li, X, Wang, J, Condon, S.M, Shi, Y.
Deposit date:2013-05-08
Release date:2014-05-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of XIAP-BIR3 and inhibitor
To be Published
8XSY
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BU of 8xsy by Molmil
Cryo-EM structure of the human 80S ribosome with Tigecycline, e-tRNA and CCDC124 (40S head Swivelled)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2024-01-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8XSX
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BU of 8xsx by Molmil
Cryo-EM structure of the human 80S ribosome with Tigecycline, E-tRNA, SERBP1 and eEF2
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2024-01-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8YOO
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BU of 8yoo by Molmil
Cryo-EM structure of the human 80S ribosome with 100 um Tigecycline
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, X, Wang, M, Denk, T, Cheng, J.
Deposit date:2024-03-13
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8XSZ
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BU of 8xsz by Molmil
Cryo-EM structure of the human 80S ribosome with Tigecycline, E-tRNA and P-tRNA
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2024-01-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8YOP
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BU of 8yop by Molmil
Cryo-EM structure of the human 80S ribosome with 4 um Tigecycline
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, X, Wang, M, Denk, T, Cheng, J.
Deposit date:2024-03-13
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
4JPB
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BU of 4jpb by Molmil
The structure of a ternary complex between CheA domains P4 and P5 with CheW and with an unzipped fragment of TM14, a chemoreceptor analog from Thermotoga maritima.
Descriptor: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein
Authors:Li, X, Bayas, C, Bilwes, A.M, Crane, B.R.
Deposit date:2013-03-19
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.186 Å)
Cite:The 3.2 angstrom resolution structure of a receptor: CheA:CheW signaling complex defines overlapping binding sites and key residue interactions within bacterial chemosensory arrays.
Biochemistry, 52, 2013
4KMN
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BU of 4kmn by Molmil
Structure of cIAP1-BIR3 and inhibitor
Descriptor: (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide, Baculoviral IAP repeat-containing protein 2, PHOSPHATE ION, ...
Authors:Li, X, Wang, J, Condon, S.M, Shi, Y.
Deposit date:2013-05-08
Release date:2014-05-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.523 Å)
Cite:Structure of cIAP1-BIR3 and inhibitor
To be Published
8J45
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BU of 8j45 by Molmil
Crystal structure of a Pichia pastoris-expressed IsPETase variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase
Authors:Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2023-04-19
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023

224201

PDB entries from 2024-08-28

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