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8ROO
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BU of 8roo by Molmil
Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Influenza A derived peptide/Nucleoprotein, ...
Authors:Murdolo, L.D, Maddumage, J.C, Gras, S.
Deposit date:2024-01-11
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
To Be Published
8QSQ
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BU of 8qsq by Molmil
Locally refined SARS-CoV-2 BA-2.86 Spike receptor binding domain (RBD) complexed with angiotensin converting enzyme 2 (ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S2'
Authors:Ren, J, Stuart, D.I, Duyvesteyn, H.M.E.
Deposit date:2023-10-11
Release date:2024-05-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8RG1
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BU of 8rg1 by Molmil
Soluble glucose dehydrogenase from acinetobacter calcoaceticus - wild type pH8
Descriptor: 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ...
Authors:Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A.
Deposit date:2023-12-13
Release date:2024-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
8ROP
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BU of 8rop by Molmil
Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Murdolo, L.D, Maddumage, J.C, Gras, S.
Deposit date:2024-01-12
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
To Be Published
8SP7
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BU of 8sp7 by Molmil
LINE-1 retrotransposon endonuclease domain complex with tranexamic acid
Descriptor: LINE-1 retrotransposon endonuclease, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:D'Ordine, A.M, Jogl, G, Sedivy, J.M.
Deposit date:2023-05-02
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Nat Commun, 15, 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
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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:2024-01-17
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:2024-01-17
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CutC choline lyase in complex with difluorocholine
To Be Published
8SUJ
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BU of 8suj by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state
Descriptor: SULFATE ION, Serine hydroxymethyltransferase
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2023-05-12
Release date:2023-08-16
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
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:2024-02-14
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024
8BRX
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BU of 8brx by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine
Descriptor: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ...
Authors:Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
Deposit date:2022-11-24
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Ortmayer, M, Levy, C.
Deposit date:2022-12-29
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
8CTK
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BU of 8ctk by Molmil
Cryo-EM structure of SARS-CoV-2 M protein in a lipid nanodisc
Descriptor: Membrane protein
Authors:Dolan, K.A, Brohawn, S.G.
Deposit date:2022-05-15
Release date:2022-06-22
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structure of SARS-CoV-2 M protein in lipid nanodiscs.
Elife, 11, 2022
8CR8
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BU of 8cr8 by Molmil
human Interleukin-23
Descriptor: Interleukin-12 subunit beta, Interleukin-23 subunit alpha, TERBIUM(III) ION, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-03-08
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
Deposit date:2022-06-13
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023

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數據於2024-06-05公開中

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