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8RMO
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BU of 8rmo by Molmil
Crystal structure of anti-FLAG M2 Fab fragment bound to FLAG-tag peptide epitope
Descriptor: CHLORIDE ION, FLAG-tag, anti-FLAG M2 heavy chain, ...
Authors:Beugelink, J.W, Janssen, B.J.C, Pronker, M.F.
Deposit date:2024-01-08
Release date:2024-04-03
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.163 Å)
Cite:Structural Basis for Recognition of the FLAG-tag by Anti-FLAG M2.
J.Mol.Biol., 436, 2024
8RDS
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BU of 8rds by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i
Descriptor: (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDQ
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BU of 8rdq by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b
Descriptor: (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDP
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BU of 8rdp by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a
Descriptor: (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDR
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BU of 8rdr by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g
Descriptor: (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDT
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BU of 8rdt by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j
Descriptor: (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RRQ
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BU of 8rrq by Molmil
Crystal structure of human SYK in complex with compound 24
Descriptor: GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Canevari, G.
Deposit date:2024-01-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
8RRZ
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BU of 8rrz by Molmil
Crystal structure of SYK kinase in complex with compound 1
Descriptor: GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK
Authors:Canevari, G.
Deposit date:2024-01-24
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
Descriptor: Designed peptide BH21
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T61
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BU of 8t61 by Molmil
Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
Descriptor: Designed peptide BH33
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
Descriptor: Designed peptide PH1
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8STG
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BU of 8stg by Molmil
Discovery and clinical validation of RLY-4008, the first highly selective FGFR2 inhibitor with activity across FGFR2 alterations and resistance mutations
Descriptor: Fibroblast growth factor receptor 2, N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
Authors:Valverde, R, Foster, L.
Deposit date:2023-05-10
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:RLY-4008, the First Highly Selective FGFR2 Inhibitor with Activity across FGFR2 Alterations and Resistance Mutations.
Cancer Discov, 13, 2023
8T1O
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BU of 8t1o by Molmil
AP2 bound to MSP2N2 nanodisc with Tgn38 cargo peptide; composite map
Descriptor: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
Authors:Baker, R.W, Cannon, K.S, Reta, S.
Deposit date:2023-06-02
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Lipid nanodiscs as a template for high-resolution cryo-EM structures of peripheral membrane proteins.
J.Struct.Biol., 215, 2023
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
Deposit date:2023-05-23
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8TAY
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BU of 8tay by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
Descriptor: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAW
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BU of 8taw by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
4J6W
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BU of 4j6w by Molmil
Crystal structure of HFQ from Pseudomonas aeruginosa in complex with CTP
Descriptor: CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Nikulin, A.D, Murina, V, Lekontseva, N.
Deposit date:2013-02-12
Release date:2013-07-31
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hfq binds ribonucleotides in three different RNA-binding sites.
Acta Crystallogr.,Sect.D, 69, 2013
4J6X
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BU of 4j6x by Molmil
Crystal structure of Hfq from Pseudomonas aeruginosa in complex with UTP
Descriptor: Protein hfq, URIDINE 5'-TRIPHOSPHATE
Authors:Nikulin, A.D, Murina, V, Lekontseva, N.
Deposit date:2013-02-12
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.222 Å)
Cite:Hfq binds ribonucleotides in three different RNA-binding sites.
Acta Crystallogr.,Sect.D, 69, 2013
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
8R54
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BU of 8r54 by Molmil
Mouse teneurin-3 non-compact subunit - A0B0 isoform
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-3, ...
Authors:Gogou, C, Meijer, D.H.
Deposit date:2023-11-15
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Alternative splicing controls teneurin-3 compact dimer formation for neuronal recognition.
Nat Commun, 15, 2024
8R8N
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BU of 8r8n by Molmil
Hallucinated de novo TIM barrel with two helical extensions - HalluTIM2-2
Descriptor: HalluTIM2-2, SULFATE ION
Authors:Beck, J, Shanmugaratnam, S, Hocker, B.
Deposit date:2023-11-29
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
8R50
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BU of 8r50 by Molmil
Mouse teneurin-3 compact dimer - A1B1 isoform
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-3
Authors:Gogou, C, Meijer, D.H.
Deposit date:2023-11-15
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Alternative splicing controls teneurin-3 compact dimer formation for neuronal recognition.
Nat Commun, 15, 2024
8R51
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BU of 8r51 by Molmil
Mouse teneurin-3 non-compact subunit - A1B1 isoform
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-3
Authors:Gogou, C, Meijer, D.H.
Deposit date:2023-11-15
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Alternative splicing controls teneurin-3 compact dimer formation for neuronal recognition.
Nat Commun, 15, 2024
8R8O
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BU of 8r8o by Molmil
Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Beck, J, Shanmugaratnam, S, Hocker, B.
Deposit date:2023-11-29
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024

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數據於2024-07-17公開中

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