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Updated PDB entries
9NBP
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BU of 9nbp by Molmil
MicroED structure of the papain-E-64 complex from microcrystals mixed on-grid with microarrayed ligand
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-14
Release date:2025-03-26
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9NBQ
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BU of 9nbq by Molmil
MicroED structure of papain co-crystallized with E-64D
Descriptor: Papain, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-14
Release date:2025-03-26
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9NC1
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BU of 9nc1 by Molmil
MicroED structure of papain-E-64 complex from microcrystals soaked with protease inhibitor cocktail
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-14
Release date:2025-03-26
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2.4 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9NCA
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BU of 9nca by Molmil
MicroED structure of microcrystals soaked with a mixture of E-64, E-64C, and E-64D
Descriptor: N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-15
Release date:2025-03-26
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9NCC
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BU of 9ncc by Molmil
Serial synchrotron X-ray diffraction structure of the apo form of papain
Descriptor: Papain
Authors:Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:2025-02-15
Release date:2025-06-18
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9NLV
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BU of 9nlv by Molmil
Cryo-EM structure of hexameric SenDRT9 RT-ncRNA complex
Descriptor: RNA (147-MER), RNA-dependent DNA polymerase
Authors:Burman, N, Pandey, S, Wiedenheft, B, Sternberg, S.H.
Deposit date:2025-03-03
Release date:2025-05-14
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Protein-primed homopolymer synthesis by an antiviral reverse transcriptase.
Nature, 643, 2025
9NLX
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BU of 9nlx by Molmil
Cryo-EM structure of the trimeric SenDRT9 RT-ncRNA complex (GST fusion)
Descriptor: RNA (147-MER), RNA-dependent DNA polymerase
Authors:Burman, N, Pandey, S, Wiedenheft, B, Sternberg, S.H.
Deposit date:2025-03-03
Release date:2025-05-14
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Protein-primed homopolymer synthesis by an antiviral reverse transcriptase.
Nature, 643, 2025
9NS9
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BU of 9ns9 by Molmil
Cryo-EM structure of Gi-coupled FFA2 in complex with TUG-1375 and compound 187
Descriptor: (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid, 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzene-1-sulfonyl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine, Free fatty acid receptor 2, ...
Authors:Zhang, X, Tikhonova, I, Milligan, G, Zhang, C.
Deposit date:2025-03-16
Release date:2025-06-25
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Allosteric modulation and biased signalling at free fatty acid receptor 2.
Nature, 643, 2025
9NZH
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BU of 9nzh by Molmil
Crystal Structure of Amylin-NHO-18 binder complex
Descriptor: Amylin-NHO-18 Binder, Islet amyloid polypeptide, SULFATE ION
Authors:Bera, A.K, Lui, C, Kang, A, Baker, D.
Deposit date:2025-03-31
Release date:2025-05-14
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Diffusing protein binders to intrinsically disordered proteins.
Nature, 2025
9O55
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BU of 9o55 by Molmil
Structure of a synthetic antibody (RM010) in complex with a class I MHC presenting a hapten-peptide conjugate
Descriptor: GTPase KRas, N-terminally processed, MHC class I antigen, ...
Authors:Hu, Z, Rajak, E, Maso, L, Koide, S.
Deposit date:2025-04-09
Release date:2025-07-23
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Generation of actionable, cancer-specific neoantigens from KRAS(G12C) with adagrasib.
Proc.Natl.Acad.Sci.USA, 122, 2025
9O60
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BU of 9o60 by Molmil
Local refinement of 1C5H TCR bound to R-phycoerythrin (gamma chain dimer)
Descriptor: 1C5H TCR delta chain, 1C5H TCR gamma chain
Authors:Rashleigh, L, Venugopal, H, Rossjohn, J, Gully, B.S.
Deposit date:2025-04-10
Release date:2025-08-06
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Antibody-like recognition of a gamma delta T cell receptor toward a foreign antigen.
Structure, 2025
9O61
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BU of 9o61 by Molmil
R-phycoerythrin
Descriptor: PHYCOERYTHROBILIN, PHYCOUROBILIN, R-phycoerythrin class I alpha subunit, ...
Authors:Rashleigh, L, Venugopal, H, Rossjohn, J, Gully, B.S.
Deposit date:2025-04-10
Release date:2025-08-06
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (1.68 Å)
Cite:Antibody-like recognition of a gamma delta T cell receptor toward a foreign antigen.
Structure, 2025
9O62
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BU of 9o62 by Molmil
1C5H TCR bound to R-phycoerythrin
Descriptor: 1C5H TCR delta chain, PHYCOERYTHROBILIN, PHYCOUROBILIN, ...
Authors:Rashleigh, L, Venugopal, H, Rossjohn, J, Gully, B.S.
Deposit date:2025-04-10
Release date:2025-08-06
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (2.03 Å)
Cite:Antibody-like recognition of a gamma delta T cell receptor toward a foreign antigen.
Structure, 2025
9O6S
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BU of 9o6s by Molmil
Structure of the human prohibitin complex in the closed state
Descriptor: Prohibitin 1, Prohibitin-2
Authors:Rose, K, Herrmann, E, Hurley, J.H.
Deposit date:2025-04-14
Release date:2025-05-07
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (21 Å)
Cite:In situ cryo-ET visualization of mitochondrial depolarization and mitophagic engulfment.
Proc.Natl.Acad.Sci.USA, 122, 2025
9O6T
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BU of 9o6t by Molmil
Structure of the human prohibitin complex in the open state
Descriptor: Prohibitin 1, Prohibitin-2
Authors:Rose, K, Herrmann, E, Hurley, J.H.
Deposit date:2025-04-14
Release date:2025-05-07
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (22 Å)
Cite:In situ cryo-ET visualization of mitochondrial depolarization and mitophagic engulfment.
Proc.Natl.Acad.Sci.USA, 122, 2025
9O8W
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BU of 9o8w by Molmil
Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor
Descriptor: 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10, SULFATE ION
Authors:Manjula, R, Bennett, A.M, Lolis, E.
Deposit date:2025-04-16
Release date:2025-07-30
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Dynamic and structural insights into allosteric regulation on MKP5 a dual-specificity phosphatase.
Nat Commun, 16, 2025
9OQE
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BU of 9oqe by Molmil
X-ray diffraction structure of apo-form CTX-M-14 beta-lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-20
Release date:2025-06-18
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9OR3
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BU of 9or3 by Molmil
X-ray diffraction structure of CTX-M-14 beta-lactamase co-crystallized with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-21
Release date:2025-06-18
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9OR7
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BU of 9or7 by Molmil
X-ray diffraction structure of CTX-M-14 beta-lactamase soaked with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-21
Release date:2025-06-18
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9ORB
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BU of 9orb by Molmil
X-ray diffraction structure of the CTX-M-14 beta-lactamase-avibactam complex an inhibitor cocktail-soaked crystal
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-21
Release date:2025-06-18
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9ORG
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BU of 9org by Molmil
MicroED structure of apo-form CTX-M-14 beta-lactamase
Descriptor: Beta-lactamase
Authors:Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-22
Release date:2025-06-18
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9ORH
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BU of 9orh by Molmil
MicroED structure of the CTX-M-14 beta-lactamase-avibactam complex from inhibitor cocktail-soaked crystals
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-22
Release date:2025-06-18
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9ORL
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BU of 9orl by Molmil
MicroED structure of CTX-M-14 beta-lactamase soaked with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-22
Release date:2025-06-18
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9ORS
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BU of 9ors by Molmil
MicroED structure of CTX-M-14 beta-lactamase co-crystallized with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-22
Release date:2025-06-18
Last modified:2025-08-13
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025
9ORV
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BU of 9orv by Molmil
X-ray diffraction structure of lysozyme co-crystallized with N,N',N"-triacetylchitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Flowers, C.W, Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2025-05-22
Release date:2025-06-18
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.
Proc.Natl.Acad.Sci.USA, 122, 2025

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数据于2025-08-13公开中

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