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8AKI
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BU of 8aki by Molmil
Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
9BA2
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BU of 9ba2 by Molmil
Crystal structure of the binary complex of DCAF1 and WDR5
分子名称: DDB1- and CUL4-associated factor 1, IMIDAZOLE, WD repeat-containing protein 5
著者Mabanglo, M.F, Wilson, B.J, Srivastava, S, Al-awar, R, Vedadi, M.
登録日2024-04-03
公開日2024-11-06
最終更新日2024-12-04
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
9BD5
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BU of 9bd5 by Molmil
Laccase from Bacillus licheniformis
分子名称: COPPER (II) ION, SULFATE ION, Spore coat protein A
著者Habib, M.H, Smith, T.J.
登録日2024-04-11
公開日2024-11-20
最終更新日2024-12-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Polymerization potential of a bacterial CotA-laccase for beta-naphthol: enzyme structure and comprehensive polymer characterization.
Front Microbiol, 15, 2024
9B8J
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BU of 9b8j by Molmil
GP38-GnH-DS-Gc in the pre-fusion conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-36125 heavy chain, ADI-36125 light chain, ...
著者McFadden, E, McLellan, J.S.
登録日2024-03-30
公開日2024-12-11
最終更新日2025-02-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Engineering and structures of Crimean-Congo hemorrhagic fever virus glycoprotein complexes.
Cell, 188, 2025
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
分子名称: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
著者Gregoire, S, Couture, J.F.
登録日2024-05-27
公開日2024-07-03
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural insights into an atypical histone binding mechanism by a PHD finger.
Structure, 32, 2024
9CS7
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BU of 9cs7 by Molmil
Structure of Azospirillum bacterial CARD crystal form 1
分子名称: Serine protease
著者Wein, T, Millman, A, Lange, K, Yirmiya, E, Hadary, R, Garb, J, Melamed, S, Steinruecke, F, HIll, A.B, Kranzusch, P.J, Sorek, R.
登録日2024-07-23
公開日2025-01-29
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献CARD domains mediate anti-phage defence in bacterial gasdermin systems.
Nature, 639, 2025
9CS8
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BU of 9cs8 by Molmil
Structure of Azospirillum bacterial CARD crystal form 2
分子名称: Serine protease
著者Wein, T, Millman, A, Lange, K, Yirmiya, E, Hadary, R, Garb, J, Melamed, S, Steinruecke, F, Hill, A.B, Kranzusch, P.J, Sorek, R.
登録日2024-07-23
公開日2025-01-29
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CARD domains mediate anti-phage defence in bacterial gasdermin systems.
Nature, 639, 2025
9CSH
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BU of 9csh by Molmil
Turnip Yellow Mosaic Virus (TYMV) protease (PRO) bound to a ubiquitin variant (UbV3)
分子名称: Methyltransferase/Protease/Ubiquitinyl hydrolase, Ubiquitin Variant UbV3
著者Kim, K, Mark, B.L.
登録日2024-07-23
公開日2025-01-22
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Suppressing Tymovirus replication in plants using a variant of ubiquitin.
Plos Pathog., 21, 2025
9C3G
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BU of 9c3g by Molmil
human cGAS core domain (K427E/K428E) bound to Cladophorol A
分子名称: Cyclic GMP-AMP synthase, ZINC ION, cladophorol A
著者Kissai, M, Stanfield, R.L, Lairson, L.L.
登録日2024-05-31
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Cladophorol-A is an inhibitor of cyclic GMP-AMP synthase.
Bioorg.Med.Chem.Lett., 115, 2025
9CYB
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BU of 9cyb by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P1
分子名称: Papain-like protease, SUCCINIC ACID, [(3R)-1-cyclopentylpiperidin-3-yl](6-methoxynaphthalen-2-yl)methanone
著者Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
登録日2024-08-01
公開日2025-04-09
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYD
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BU of 9cyd by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P4
分子名称: (1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol, CHLORIDE ION, Papain-like protease, ...
著者Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
登録日2024-08-02
公開日2025-04-09
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYK
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BU of 9cyk by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P24
分子名称: ACETIC ACID, GLYCEROL, Papain-like protease, ...
著者Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
登録日2024-08-02
公開日2025-04-09
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYC
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BU of 9cyc by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P2
分子名称: (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine, ACETIC ACID, GLYCEROL, ...
著者Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchel, J.P, Lessene, G, Komander, D.
登録日2024-08-01
公開日2025-04-09
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9C97
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BU of 9c97 by Molmil
Yeast 20S proteasome soaked with BRA-346 fraction
分子名称: MAGNESIUM ION, PRE10 isoform 1, PRE5 isoform 1, ...
著者Meneghello, R, Rustiguel, J.K.
登録日2024-06-13
公開日2025-04-30
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81, 2025
9CMR
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BU of 9cmr by Molmil
Saccharomyces cerevisiae Tom1 HECT domain
分子名称: E3 ubiquitin-protein ligase TOM1, SULFATE ION
著者Schubert, H.L, Hill, C.P.
登録日2024-07-15
公開日2025-05-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Tom1p ubiquitin ligase structure, interaction with Spt6p, and function in maintaining normal transcript levels and the stability of chromatin in promoters.
To Be Published
9E3B
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BU of 9e3b by Molmil
Cryo-EM structure of PRMT5/WDR77 in complex with 6S complex
分子名称: Methylosome protein WDR77, Methylosome subunit pICln, Protein arginine N-methyltransferase 5, ...
著者Jin, C.Y, Hunkeler, M, Fischer, E.S.
登録日2024-10-23
公開日2025-02-19
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Substrate adaptors are flexible tethering modules that enhance substrate methylation by the arginine methyltransferase PRMT5.
J.Biol.Chem., 301, 2025
9DGZ
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BU of 9dgz by Molmil
The Cryo-EM structure of recombinantly expressed apo hUGDH
分子名称: UDP-glucose 6-dehydrogenase
著者Kadirvelraj, R, Walsh Jr, R.M, Wood, Z.W.
登録日2024-09-03
公開日2025-02-26
最終更新日2025-03-05
実験手法ELECTRON MICROSCOPY (2.06 Å)
主引用文献Cryo-EM Structure of Recombinantly Expressed hUGDH Unveils a Hidden, Alternative Allosteric Inhibitor.
Biochemistry, 64, 2025
9DH0
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BU of 9dh0 by Molmil
The Cryo-EM structure of recombinantly expressed hUGDH in complex with UDP-4-keto-xylose
分子名称: (2R,3R,4R)-3,4-dihydroxy-5-oxooxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), UDP-glucose 6-dehydrogenase
著者Kadirvelraj, R, Walsh Jr, R.M, Wood, Z.W.
登録日2024-09-03
公開日2025-03-05
最終更新日2025-03-12
実験手法ELECTRON MICROSCOPY (2.38 Å)
主引用文献Cryo-EM Structure of Recombinantly Expressed hUGDH Unveils a Hidden, Alternative Allosteric Inhibitor.
Biochemistry, 64, 2025
9EGW
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BU of 9egw by Molmil
HOIL-1 RING2 domain bound to ubiquitin-maltose (maltose not modelled)
分子名称: CHLORIDE ION, Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
著者Wang, X.S, Lechtenberg, B.C.
登録日2024-11-21
公開日2024-12-11
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The RBR E3 ubiquitin ligase HOIL-1 can ubiquitinate diverse non-protein substrates in vitro.
Life Sci Alliance, 8, 2025
9EGV
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BU of 9egv by Molmil
HOIL-1 RING2 domain bound to ubiquitin
分子名称: CHLORIDE ION, Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
著者Wang, X.S, Lechtenberg, B.C.
登録日2024-11-21
公開日2024-12-11
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The RBR E3 ubiquitin ligase HOIL-1 can ubiquitinate diverse non-protein substrates in vitro.
Life Sci Alliance, 8, 2025
9EC2
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BU of 9ec2 by Molmil
Crystal structure of SAMHD1 dimer bound to an inhibitor obtained from high-throughput chemical tethering to the guanine antiviral acyclovir
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, N-[5-({2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl}amino)-5-oxopentyl]-4,7-dibromo-3-hydroxynaphthalene-2-carboxamide
著者Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Lopez-Rovira, L.M, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
登録日2024-11-13
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Inhibitors of SAMHD1 Obtained from Chemical Tethering to the Guanine Antiviral Acyclovir.
Biochemistry, 64, 2025
9DYB
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BU of 9dyb by Molmil
CHIP-TPR in complex with the phosphorylated Hsp70 tail
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, Heat shock 70 kDa protein 1A
著者Zhang, H, Nix, J.C, Page, R.C.
登録日2024-10-13
公開日2025-03-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Phosphorylation-State Modulated Binding of HSP70: Structural Insights and Compensatory Protein Engineering.
Biorxiv, 2025
9DYA
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BU of 9dya by Molmil
CHIP-TPR in complex with the Hsp70 tail
分子名称: E3 ubiquitin-protein ligase CHIP, Heat shock 70 kDa protein 1A, SULFATE ION
著者Zhang, H, Nix, J.C, Page, R.C.
登録日2024-10-13
公開日2025-03-26
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Phosphorylation-State Modulated Binding of HSP70: Structural Insights and Compensatory Protein Engineering.
Biorxiv, 2025
9DJT
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BU of 9djt by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue WIZ-5
分子名称: (3S)-3-(5-{[(4R)-6-ethyl-6-azaspiro[2.5]octan-4-yl]oxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, DNA damage-binding protein 1, Protein Wiz, ...
著者Partridge, J.R, Ma, X, Ornelas, E.
登録日2024-09-06
公開日2024-11-27
最終更新日2024-12-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Discovery and Optimization of First-in-Class Molecular Glue Degraders of the WIZ Transcription Factor for Fetal Hemoglobin Induction to Treat Sickle Cell Disease.
J.Med.Chem., 67, 2024
9E6S
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BU of 9e6s by Molmil
BCL11A ZF4-6 with K784T Mutation in Complex with a DNA Sequence Observed in the Human Globin Locus Containing Motif TGACCA
分子名称: 1,2-ETHANEDIOL, B-cell lymphoma/leukemia 11A, DNA Strand I, ...
著者Horton, J.R, Cheng, X.
登録日2024-10-30
公開日2025-04-09
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multimeric transcription factor BCL11A utilizes two zinc-finger tandem arrays to bind clustered short sequence motifs.
Nat Commun, 16, 2025

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件を2025-07-09に公開中

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