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6O8R
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BU of 6o8r by Molmil
Syn-safencin 24
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8J
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BU of 6o8j by Molmil
Syn-safencin
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-04-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8P
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BU of 6o8p by Molmil
Syn-safencin 8
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6NM4
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BU of 6nm4 by Molmil
Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor
Descriptor: 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ...
Authors:Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-01-10
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
7LZQ
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BU of 7lzq by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-4425
Descriptor: B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2021-03-10
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
4X1G
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BU of 4x1g by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ...
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-11-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
7PAB
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BU of 7pab by Molmil
Varicella zoster Orf24-Orf27 nuclear egress complex
Descriptor: Nuclear egress protein 2,Nuclear egress protein 1, SULFATE ION, ZINC ION
Authors:Schweininger, J, Muller, Y.A.
Deposit date:2021-07-29
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the varicella-zoster Orf24-Orf27 nuclear egress complex spotlights multiple determinants of herpesvirus subfamily specificity.
J.Biol.Chem., 298, 2022
7OLY
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BU of 7oly by Molmil
Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-1B, ...
Authors:Hakansson, M, Rose, N.C, Castonguay, R, Logan, D.T, Krishnan, L.
Deposit date:2021-05-20
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.265 Å)
Cite:Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors.
Iscience, 25, 2022
4X1F
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BU of 4x1f by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-11-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
7PIU
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BU of 7piu by Molmil
Cryo-EM structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (MC4R) in complex with the heterotrimeric Gs protein at 2.6 A resolution.
Descriptor: CALCIUM ION, Camelid antibody fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P.
Deposit date:2021-08-23
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
7PIV
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BU of 7piv by Molmil
Active Melanocortin-4 receptor (MC4R)- Gs protein complex bound to agonist NDP-alpha-MSH at 2.86 A resolution.
Descriptor: CALCIUM ION, Camelid antibody VHH fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P.
Deposit date:2021-08-23
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
6YAS
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BU of 6yas by Molmil
HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE
Descriptor: PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION
Authors:Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C.
Deposit date:1999-03-15
Release date:1999-10-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
4XAO
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BU of 4xao by Molmil
Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-12-15
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
6YHF
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BU of 6yhf by Molmil
Solution NMR Structure of APP TMD
Descriptor: Amyloid-beta precursor protein
Authors:Silber, M, Muhle-Goll, C.
Deposit date:2020-03-29
Release date:2020-12-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-Secretase.
Acs Chem Neurosci, 11, 2020
6YHO
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BU of 6yho by Molmil
Solution NMR Structure of APP G38P mutant TM
Descriptor: Amyloid-beta precursor protein G38P mutant
Authors:Silber, M, Muhle-Goll, C.
Deposit date:2020-03-30
Release date:2020-12-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-Secretase.
Acs Chem Neurosci, 11, 2020
6YHP
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BU of 6yhp by Molmil
Solution NMR Structure of APP V44M mutant TMD
Descriptor: Amyloid-beta precursor protein V44M mutant
Authors:Silber, M, Muhle-Goll, C.
Deposit date:2020-03-30
Release date:2020-12-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-Secretase.
Acs Chem Neurosci, 11, 2020
6YHX
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BU of 6yhx by Molmil
Solution NMR Structure of APP I45T mutant TMD
Descriptor: Amyloid-beta precursor protein I45T mutant
Authors:Silber, M, Muhle-Goll, C.
Deposit date:2020-03-31
Release date:2020-12-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-Secretase.
Acs Chem Neurosci, 11, 2020
6YHI
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BU of 6yhi by Molmil
Solution NMR Structure of APP G38L mutant TMD
Descriptor: Amyloid-beta precursor protein G38L mutant
Authors:Silber, M, Muhle-Goll, C.
Deposit date:2020-03-30
Release date:2020-12-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-Secretase.
Acs Chem Neurosci, 11, 2020
4YAS
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BU of 4yas by Molmil
HYDROXYNITRILE LYASE COMPLEXED WITH CHLORALHYDRATE
Descriptor: PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, TRI-CHLORO-ACETALDEHYDE
Authors:Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C.
Deposit date:1999-03-15
Release date:1999-10-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
6XQA
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BU of 6xqa by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2020-07-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
6XSW
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BU of 6xsw by Molmil
Structure of the Notch3 NRR in complex with an antibody Fab Fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-N3 Fab Heavy Chain, ...
Authors:Bard, J.
Deposit date:2020-07-16
Release date:2021-07-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
8CJ9
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BU of 8cj9 by Molmil
Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
Descriptor: 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2023-02-12
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 2024
7O0Y
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BU of 7o0y by Molmil
ABC transporter NosDFY, nucleotide-free in GDN
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7O15
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BU of 7o15 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7O16
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BU of 7o16 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022

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