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6LHG
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BU of 6lhg by Molmil
Crystal structure of chicken cCD8aa/pBF2*04:01
Descriptor: Beta-2-microglobulin, CD8 alpha chain, IE8 peptide, ...
Authors:Liu, Y.J, Xia, C.
Deposit date:2019-12-08
Release date:2020-12-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
3RX4
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BU of 3rx4 by Molmil
Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
7Y8M
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BU of 7y8m by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
3RX2
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BU of 3rx2 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
3RX3
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BU of 3rx3 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
7DHI
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BU of 7dhi by Molmil
Cryo-EM structure of the partial agonist salbutamol-bound beta2 adrenergic receptor-Gs protein complex.
Descriptor: Beta-2 adrenergic receptor, 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:Yang, F, Ling, S.L, Zhou, Y.X, Zhang, Y.N, Lv, P, Liu, S.L, Fang, W, Sun, W.J, Hu, L.Y.A.
Deposit date:2020-11-15
Release date:2020-12-16
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Different Conformational Responses of the beta2-Adrenergic Receptor-Gs Complex upon Binding of the Partial Agonist Salbutamol or the Full Agonist Isoprenaline
Natl Sci Rev, 2020
3T8T
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BU of 3t8t by Molmil
Crystal structure of Staphylococcus aureus CymR oxidized form
Descriptor: Staphylococcus aureus CymR (oxidized form)
Authors:He, C, Ji, Q.
Deposit date:2011-08-01
Release date:2012-05-16
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
7D4F
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BU of 7d4f by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin
Descriptor: 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yin, W, Zhou, Z, Yu, X, Xu, H.
Deposit date:2020-09-23
Release date:2020-11-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin.
Nat.Struct.Mol.Biol., 28, 2021
7DHR
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BU of 7dhr by Molmil
Cryo-EM structure of the full agonist isoprenaline-bound beta2 adrenergic receptor-Gs protein complex.
Descriptor: Beta-2 adrenergic receptor, 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:Yang, F, Ling, S.L, Zhou, Y.X, Zhang, Y.N, Lv, P, Liu, S.L, Fang, W, Sun, W.J, Hu, L.Y.A.
Deposit date:2020-11-17
Release date:2020-12-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Different Conformational Responses of the beta2-Adrenergic Receptor-Gs Complex upon Binding of the Partial Agonist Salbutamol or the Full Agonist Isoprenaline
Natl Sci Rev, 2020
3SO4
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BU of 3so4 by Molmil
Methionine-adenosyltransferase from Entamoeba histolytica
Descriptor: ACETATE ION, Methionine-adenosyltransferase
Authors:Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2011-06-29
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Methionine-adenosyltransferase from Entamoeba histolytica
To be Published
3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
Descriptor: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3U
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BU of 3t3u by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130
Descriptor: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
7CRN
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BU of 7crn by Molmil
The Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization
Descriptor: Non-ribosomal peptide synthetase 4
Authors:Yu, J.H, Song, J, Chi, C.B, Ma, M.
Deposit date:2020-08-14
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
6N7R
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BU of 6n7r by Molmil
Saccharomyces cerevisiae spliceosomal E complex (ACT1)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-28
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
6NAE
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BU of 6nae by Molmil
Crystal Structure of Ebola zaire GP protein with bound ARN0074898
Descriptor: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors.
Acs Med.Chem.Lett., 11, 2020
3TTF
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BU of 3ttf by Molmil
Crystal structure of E. coli HypF with AMP and carbamoyl phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-14
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
7XSI
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BU of 7xsi by Molmil
SdnG, a Diels Alderase catalyzed the formation of norbornene skeleton in Sordarin biosynthetic pathway
Descriptor: Sordarin/hypoxysordarin biosynthesis cluster protein G
Authors:Zhang, B, Ge, H.M.
Deposit date:2022-05-14
Release date:2022-12-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biosynthesis of Sordarin Revealing a Diels-Alderase for the Formation of the Norbornene Skeleton.
Angew.Chem.Int.Ed.Engl., 61, 2022
3TSQ
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BU of 3tsq by Molmil
Crystal structure of E. coli HypF with ATP and Carbamoyl phosphate
Descriptor: 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3TSP
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BU of 3tsp by Molmil
Crystal structure of E. coli HypF
Descriptor: MAGNESIUM ION, Transcriptional regulatory protein, ZINC ION
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
7BUY
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BU of 7buy by Molmil
The crystal structure of COVID-19 main protease in complex with carmofur
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid
Authors:Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z.
Deposit date:2020-04-08
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
3S3G
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BU of 3s3g by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Tolmetin
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-18
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
6N7P
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BU of 6n7p by Molmil
S. cerevisiae spliceosomal E complex (UBC4)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-27
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
7WT9
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BU of 7wt9 by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab 9A8
Descriptor: Heavy chain of Fab 9A8, Light chain of Fab 9A8, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-02-04
Release date:2023-06-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
7WT7
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BU of 7wt7 by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ...
Authors:Wang, X, Wang, L.
Deposit date:2022-02-04
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022

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數據於2024-10-16公開中

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