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9FI1
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BU of 9fi1 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant H297N at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI3
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BU of 9fi3 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Q173N in complex with tetraguluronic acid at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI6
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BU of 9fi6 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Y91F+Y298F in complex with tetramannuronic acid at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9QEL
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BU of 9qel by Molmil
Crystal structure of YTHDF2 in complex with compound 4 (AI-DF2-13)
Descriptor: 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, SULFATE ION, YTH domain-containing family protein 2
Authors:Nai, F, Invernizzi, A, Caflisch, A.
Deposit date:2025-03-10
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of YTHDF2 Ligands by Fragment-Based Design
Acs Bio Med Chem Au, 2025
9HDG
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BU of 9hdg by Molmil
The structure of the catalytic domain of AfAA11B from the filamentous fungus Aspergillus fumigatus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AA11 family lytic polysaccharide monooxygenase B, ASCORBIC ACID, ...
Authors:Hall, K, Roennekleiv, S.E, Gautieri, A, Skaali, R, Rieder, L, Englund, A.N, Landsem, E, Emrich-Mills, T, Ayuso-Fernandez, I, Golten, O, Kjendseth, A.R, Soerlie, M, Eijsink, V.G.H.
Deposit date:2024-11-12
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure-Function Analysis of an Understudied Type of LPMO with Unique Redox Properties and Substrate Specificity.
Acs Catalysis, 15, 2025
9R7J
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BU of 9r7j by Molmil
Repair of Iron Centre (RIC) protein from Staphylococcus aureus
Descriptor: FE (III) ION, Iron-sulfur cluster repair protein ScdA, OXYGEN ATOM, ...
Authors:Romao, C.V, Matias, P.M, Saraiva, L.M.
Deposit date:2025-05-14
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Repair of Iron Centre (RIC) protein from Staphylococcus aureus
To Be Published
8SXS
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BU of 8sxs by Molmil
Crystal structure of a Nudix hydrolase effector from Magnaporthe oryzae
Descriptor: Nudix hydrolase domain-containing protein
Authors:McCombe, C.L, Ericsson, D.J, Williams, S.J.
Deposit date:2023-05-23
Release date:2023-11-22
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Plant pathogenic fungi hijack phosphate signaling with conserved enzymatic effectors.
Science, 387, 2025
8SCA
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BU of 8sca by Molmil
Rec3 Domain from S. pyogenes Cas9
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1
Authors:D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G.
Deposit date:2023-04-05
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
8TSY
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BU of 8tsy by Molmil
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT0
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BU of 8tt0 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=4.2
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT2
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BU of 8tt2 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.4
Descriptor: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TSZ
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BU of 8tsz by Molmil
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT4
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BU of 8tt4 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=6.0
Descriptor: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TSU
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BU of 8tsu by Molmil
Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-11
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TSX
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BU of 8tsx by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT5
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BU of 8tt5 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=8.3
Descriptor: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT1
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BU of 8tt1 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.0
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TBW
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BU of 8tbw by Molmil
Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL
Descriptor: Beta-2-microglobulin, HLA-A*02:01 alpha chain, NITRATE ION, ...
Authors:Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M.
Deposit date:2023-06-29
Release date:2024-01-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024
8TBV
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BU of 8tbv by Molmil
Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M.
Deposit date:2023-06-29
Release date:2024-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024
8TUA
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BU of 8tua by Molmil
Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
Authors:Cash, J.N, Tesmer, J.J.G.
Deposit date:2023-08-15
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
8SO0
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BU of 8so0 by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex
Descriptor: FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, ...
Authors:Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
Deposit date:2023-04-28
Release date:2023-10-25
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.79961 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
8TGX
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BU of 8tgx by Molmil
Crystal structure of C. elegans LGG-1
Descriptor: CHLORIDE ION, Protein lgg-1
Authors:Cheung, Y.W.S, Yip, C.K.
Deposit date:2023-07-13
Release date:2025-01-22
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the human autophagy factor EPG5 and the molecular basis of its conserved mode of interaction with Atg8-family proteins.
Autophagy, 21, 2025
8TWI
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BU of 8twi by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex, PP2Ac body
Descriptor: FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
Deposit date:2023-08-21
Release date:2023-11-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
8TWE
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BU of 8twe by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex, B55 body
Descriptor: PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
Deposit date:2023-08-21
Release date:2023-11-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
8U9G
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BU of 8u9g by Molmil
Human Class I MHC HLA-A2 bound to sorting nexin 24 (127-135) neoantigen KLSHQLVLL
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M.
Deposit date:2023-09-19
Release date:2024-01-10
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024

238582

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