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8FVK
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BU of 8fvk by Molmil
First bromodomain of BRD4 liganded with CCS-1477
Descriptor: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-19
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FXA
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BU of 8fxa by Molmil
Bromodomain of CBP liganded with iCBP4
Descriptor: (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-24
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FXO
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BU of 8fxo by Molmil
Bromodomain of CBP liganded with iCBP8
Descriptor: (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8G6T
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BU of 8g6t by Molmil
Bromodomain of CBP liganded with inhibitor iCBP2
Descriptor: (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein, NICKEL (II) ION
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-02-15
Release date:2024-02-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
Descriptor: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
Authors:Zhao, M.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
8G3E
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BU of 8g3e by Molmil
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
Descriptor: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5
Authors:Zhao, M.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
7EYC
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BU of 7eyc by Molmil
Crystal structure of Tau and acetylated tau peptide antigen
Descriptor: ACETYLATED TAU PEPTIDE, antibody, Heavy chain, ...
Authors:Hong, M, Park, J.
Deposit date:2021-05-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Monoclonal antibody Y01 prevents tauopathy progression induced by lysine 280-acetylated tau in cell and mouse models.
J.Clin.Invest., 133, 2023
8GB0
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BU of 8gb0 by Molmil
SARS-CoV-2 Spike H655Y variant, One RBD Open
Descriptor: Spike glycoprotein
Authors:Egri, S.B, Shen, K, Luban, J.
Deposit date:2023-02-24
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:S:D614G and S:H655Y are gateway mutations that act epistatically to promote SARS-CoV-2 variant fitness.
Biorxiv, 2023
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8GLF
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BU of 8glf by Molmil
Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Shahine, A.
Deposit date:2023-03-22
Release date:2023-09-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8GLE
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BU of 8gle by Molmil
Crystal Structure of Human CD1b in Complex with Lysosulfatide
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shahine, A.
Deposit date:2023-03-22
Release date:2023-09-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8GLI
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BU of 8gli by Molmil
Crystal Structure of Human CD1b in Complex with Mycobacterial C85-GMM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose, Beta-2-microglobulin, ...
Authors:Balaji, G, Rossjohn, J, Shahine, A.
Deposit date:2023-03-22
Release date:2023-09-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8GLH
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BU of 8glh by Molmil
Crystal Structure of Human CD1b in Complex with Endogenous PC C40:5
Descriptor: (11E)-hexadec-11-enoic acid, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
Authors:Farquhar, R, Rossjohn, J, Shahine, A.
Deposit date:2023-03-22
Release date:2023-09-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8GLG
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BU of 8glg by Molmil
Crystal Structure of Human CD1b in Complex with Phosphatidylethanolamine C34:1
Descriptor: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
Authors:Shahine, A.
Deposit date:2023-03-22
Release date:2023-09-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
3W57
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BU of 3w57 by Molmil
Structure of a C2 domain
Descriptor: C2 domain protein, CALCIUM ION
Authors:Traore, D.A.K, Whisstock, J.C.
Deposit date:2013-01-24
Release date:2013-10-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Defining the interaction of perforin with calcium and the phospholipid membrane.
Biochem.J., 456, 2013
8G5V
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BU of 8g5v by Molmil
Empty capsid of Hepatitis B virus
Descriptor: Core protein Cp183
Authors:Yang, R, Cingolani, G.
Deposit date:2023-02-14
Release date:2024-01-24
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for nuclear import of hepatitis B virus (HBV) nucleocapsid core.
Sci Adv, 10, 2024
8G6V
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BU of 8g6v by Molmil
Hepatitis B virus capsid bound to importin alpha1/beta heterodimer
Descriptor: Core protein Cp183
Authors:Yang, R, Cingolani, G.
Deposit date:2023-02-16
Release date:2024-01-24
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for nuclear import of hepatitis B virus (HBV) nucleocapsid core.
Sci Adv, 10, 2024
8G8Y
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BU of 8g8y by Molmil
Hepatitis B virus capsid bound to importin alpha1
Descriptor: Core protein Cp183
Authors:Yang, R, Cingolani, G.
Deposit date:2023-02-20
Release date:2024-01-31
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for nuclear import of hepatitis B virus (HBV) nucleocapsid core.
Sci Adv, 10, 2024
8GA2
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BU of 8ga2 by Molmil
Bromodomain of CBP liganded with inhibitor iCBP5
Descriptor: (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-02-22
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8H3W
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BU of 8h3w by Molmil
Crystal structure of chicken egg lysozyme at ambient temperature
Descriptor: Lysozyme C
Authors:DeMirci, H.
Deposit date:2022-10-09
Release date:2023-03-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Rapid and efficient ambient temperature X-ray crystal structure determination at Turkish Light Source.
Sci Rep, 13, 2023
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010

225399

數據於2024-09-25公開中

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