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3EZX
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BU of 3ezx by Molmil
Structure of Methanosarcina barkeri monomethylamine corrinoid protein
Descriptor: 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, MAGNESIUM ION, Monomethylamine corrinoid protein 1
Authors:Jain, R.
Deposit date:2008-10-23
Release date:2009-12-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of Methanosarcina barkeri monomethylamine corrinoid protein
TO BE PUBLISHED
8TKU
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BU of 8tku by Molmil
ZIG-4-INS-6 complex, primitive monoclinic form
Descriptor: Probable insulin-like peptide beta-type 5, Zwei Ig domain protein zig-4
Authors:Cheng, S, Baltrusaitis, E, Aziz, Z, Nawrocka, W.I, Ozkan, E.
Deposit date:2023-07-25
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Nematode Extracellular Protein Interactome Expands Connections between Signaling Pathways.
Biorxiv, 2024
8TK9
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BU of 8tk9 by Molmil
ZIG-4-INS-6 complex, tetragonal form
Descriptor: GLYCEROL, Probable insulin-like peptide beta-type 5, SULFATE ION, ...
Authors:Cheng, S, Baltrusaitis, E, Aziz, Z, Nawrocka, W.I, Ozkan, E.
Deposit date:2023-07-25
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Nematode Extracellular Protein Interactome Expands Connections between Signaling Pathways.
Biorxiv, 2024
8TKT
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BU of 8tkt by Molmil
ZIG-4-INS-6 complex, C-centered monoclinic form
Descriptor: Probable insulin-like peptide beta-type 5, Zwei Ig domain protein zig-4
Authors:Cheng, S, Baltrusaitis, E, Aziz, Z, Nawrocka, W.I, Ozkan, E.
Deposit date:2023-07-25
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nematode Extracellular Protein Interactome Expands Connections between Signaling Pathways.
Biorxiv, 2024
4HP1
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BU of 4hp1 by Molmil
Crystal structure of Tet3 in complex with a non-CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HP3
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BU of 4hp3 by Molmil
Crystal structure of Tet3 in complex with a CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
6PCU
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BU of 6pcu by Molmil
VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9
Descriptor: GLYCEROL, Outer capsid protein VP4, SULFATE ION, ...
Authors:Hu, L, Venkataram Prasad, B.V.
Deposit date:2019-06-18
Release date:2019-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells.
J.Clin.Invest., 130, 2019
8H77
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BU of 8h77 by Molmil
Hsp90-AhR-p23-XAP2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
Authors:Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
Deposit date:2022-10-19
Release date:2023-01-04
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
6CV7
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BU of 6cv7 by Molmil
Mouse Protocadherin-15 Extracellular Cadherin Domains 1 through 3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2018-03-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Mechanotransduction by PCDH15 Relies on a Novel cis-Dimeric Architecture.
Neuron, 99, 2018
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
5V8V
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BU of 5v8v by Molmil
Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate
Authors:Concha, N, Zhao, B.
Deposit date:2017-03-22
Release date:2017-10-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.
Bioorg. Med. Chem. Lett., 27, 2017
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
7JPY
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BU of 7jpy by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Descriptor: 3C-like proteinase
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ4
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BU of 7jq4 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ0
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BU of 7jq0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPZ
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BU of 7jpz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ5
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BU of 7jq5 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ1
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BU of 7jq1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021

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数据于2024-11-13公开中

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