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3O2F
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BU of 3o2f by Molmil
Structure of the N-domain of GRP94 bound to the HSP90 inhibitor PU-H54
Descriptor: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, Endoplasmin, GLYCEROL, ...
Authors:Seidler, P.M, Gewirth, D.T.
Deposit date:2010-07-22
Release date:2011-10-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2.
Nat.Chem.Biol., 9, 2013
3NBW
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BU of 3nbw by Molmil
X-ray structure of ketohexokinase in complex with a pyrazole compound
Descriptor: 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ...
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC2
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BU of 3nc2 by Molmil
X-ray structure of ketohexokinase with a quinazoline
Descriptor: Ketohexokinase, SULFATE ION, quinazoline
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC9
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BU of 3nc9 by Molmil
X-ray structure of ketohexokinase complexed with an indazole compound
Descriptor: Ketohexokinase, N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NBV
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BU of 3nbv by Molmil
X-ray Structure of Ketohexokinase in complex with AMP-PNP and fructose
Descriptor: Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3O0I
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BU of 3o0i by Molmil
Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54
Descriptor: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, HSP90AA1 protein
Authors:Seidler, P.M, Gewirth, D.T.
Deposit date:2010-07-19
Release date:2011-10-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2.
Nat.Chem.Biol., 9, 2013
6IE2
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BU of 6ie2 by Molmil
Crystal structure of methyladenine demethylase
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
6JYJ
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BU of 6jyj by Molmil
Crystal structure of FAM46B (TENT5B)
Descriptor: CITRATE ANION, Terminal nucleotidyltransferase 5B
Authors:Zhang, H, Hu, J.L, Gao, S.
Deposit date:2019-04-26
Release date:2020-03-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.693199 Å)
Cite:FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells.
Nucleic Acids Res., 48, 2020
6IE3
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BU of 6ie3 by Molmil
Crystal structure of methyladenine demethylase
Descriptor: ETHANOL, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
6N05
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BU of 6n05 by Molmil
Structure of anti-crispr protein, AcrIIC2
Descriptor: AcrIIC2
Authors:Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F.
Deposit date:2018-11-06
Release date:2019-06-05
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
5YBX
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BU of 5ybx by Molmil
Crystal structure of the N-terminal domain of Bqt4 in S.pombe
Descriptor: Bouquet formation protein 4
Authors:Hu, C, Chen, Y.
Deposit date:2017-09-05
Release date:2018-09-19
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:The Inner Nuclear Membrane Protein Bqt4 in Fission Yeast Contains a DNA-Binding Domain Essential for Telomere Association with the Nuclear Envelope.
Structure, 27, 2019
5YC2
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BU of 5yc2 by Molmil
Crystal structure of inner membrane protein Bqt4 in complex with telomeric protein Rap1
Descriptor: DNA-binding protein rap1, Ubiquitin-like protein SMT3,Bouquet formation protein 4
Authors:Chen, Y, Hu, C.
Deposit date:2017-09-06
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Structural insights into chromosome attachment to the nuclear envelope by an inner nuclear membrane protein Bqt4 in fission yeast.
Nucleic Acids Res., 47, 2019
5YCA
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BU of 5yca by Molmil
Crystal structure of inner membrane protein Bqt4 in complex with LEM2
Descriptor: Lap-Emerin-Man domain protein 2, Ubiquitin-like protein SMT3,Bouquet formation protein 4
Authors:Chen, Y, Hu, C.
Deposit date:2017-09-07
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural insights into chromosome attachment to the nuclear envelope by an inner nuclear membrane protein Bqt4 in fission yeast.
Nucleic Acids Res., 47, 2019
6A6W
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BU of 6a6w by Molmil
Crystal structure of fission yeast inner membrane protein Bqt4 in complex with Sad1
Descriptor: Bouquet formation protein 4, Spindle pole body-associated protein sad1
Authors:Chen, Y, Hu, C.
Deposit date:2018-06-29
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural insights into chromosome attachment to the nuclear envelope by an inner nuclear membrane protein Bqt4 in fission yeast.
Nucleic Acids Res., 47, 2019
7FJO
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BU of 7fjo by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-13
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
7FJN
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BU of 7fjn by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
7FJS
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BU of 7fjs by Molmil
Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
Descriptor: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2016-10-26
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
7WIH
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BU of 7wih by Molmil
Cryo-EM structure of LY2794193-bound mGlu3
Descriptor: (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WI6
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BU of 7wi6 by Molmil
Cryo-EM structure of LY341495/NAM-bound mGlu3
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WI8
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BU of 7wi8 by Molmil
Cryo-EM structure of inactive mGlu3 bound to LY341495
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
8EQF
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BU of 8eqf by Molmil
cryoEM structure of a broadly neutralizing anti-SARS-CoV-2 antibody STI-9167
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Bajic, G.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:An in vitro experimental pipeline to characterize the epitope of a SARS-CoV-2 neutralizing antibody.
Mbio, 15, 2024
3RO4
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BU of 3ro4 by Molmil
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2011-04-25
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTW
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BU of 7dtw by Molmil
Human Calcium-Sensing Receptor in the inactive close-close conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021

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