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7AXF
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BU of 7axf by Molmil
Crystal structure of the hPXR-LBD in complex with pretilachlor
Descriptor: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, pretilachlor
Authors:Harrus, D, Delfosse, V, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
2II9
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BU of 2ii9 by Molmil
Anabaena sensory rhodopsin transducer
Descriptor: Sensory rhodopsin transducer protein
Authors:Vogeley, L.
Deposit date:2006-09-27
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the anabaena sensory rhodopsin transducer.
J.Mol.Biol., 367, 2007
7Q1T
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BU of 7q1t by Molmil
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB
Descriptor: N-PROPANOL, SULFATE ION, apCC-Di-A, ...
Authors:Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
Deposit date:2021-10-20
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
8P4N
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BU of 8p4n by Molmil
CryoEM structure of a GroEL7-GroES7 cage with encapsulated disordered substrate MetK in the presence of ADP-BeFx
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ...
Authors:Wagner, J, Beck, F, Bracher, A, Caravajal, A.I, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
Deposit date:2023-05-23
Release date:2024-07-03
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
7L0U
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BU of 7l0u by Molmil
Human Bocavirus 2 (pH 5.5)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
3IQI
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BU of 3iqi by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNENI
Descriptor: Cysteine synthase, MNENI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
7E75
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BU of 7e75 by Molmil
Crystal structure of human ERK2 mutant (G37C)
Descriptor: Mitogen-activated protein kinase 1
Authors:Park, Y.S, Kim, M, Ryu, S.E.
Deposit date:2021-02-25
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:Structural mechanism of inhibitor-resistance by ERK2 mutations
Biodesign, 9, 2021
7Q1Q
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BU of 7q1q by Molmil
De novo designed homo-dimeric antiparallel helices Homomer-S
Descriptor: ACETATE ION, Homomer-S
Authors:Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
Deposit date:2021-10-20
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
7B6I
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BU of 7b6i by Molmil
Crystal structure of MurE from E.coli in complex with Z1373445602
Descriptor: 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, CITRIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7KGM
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BU of 7kgm by Molmil
C. rodentium YcbB - ertapenem complex
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Putative exported protein
Authors:Caveney, N.A, Strynadka, N.C.J.
Deposit date:2020-10-17
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections.
Antimicrob.Agents Chemother., 65, 2021
2IK8
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BU of 2ik8 by Molmil
Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
Authors:Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Debreczeni, J, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-10-02
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3IOJ
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BU of 3ioj by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with UDP
Descriptor: GLYCEROL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Pesnot, T, Jorgensen, R, Palcic, M.M, Wagner, G.K.
Deposit date:2009-08-14
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural and mechanistic basis for a new mode of glycosyltransferase inhibition.
Nat.Chem.Biol., 6, 2010
7KJT
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BU of 7kjt by Molmil
KEOPS tRNA modifying sub-complex of archaeal Cgi121 and tRNA
Descriptor: RNA (70-MER), Regulatory protein Cgi121
Authors:Ceccarelli, D.F, Beenstock, J, Mao, D.Y.L, Sicheri, F.
Deposit date:2020-10-26
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
8OZN
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BU of 8ozn by Molmil
In situ cryoEM structure of the Prototype Foamy Virus capsid, hexamer 2 localised reconstruction
Descriptor: Gag polyprotein
Authors:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
8OZM
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BU of 8ozm by Molmil
In situ cryoEM structure of the Prototype Foamy Virus capsid, hexamer 1 localised reconstruction
Descriptor: Gag polyprotein
Authors:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
3A2V
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BU of 3a2v by Molmil
Peroxiredoxin (C207S) from Aeropyrum pernix K1 complexed with hydrogen peroxide
Descriptor: PEROXIDE ION, Probable peroxiredoxin
Authors:Nakamura, T, Kado, Y, Yamaguchi, F, Ishikawa, K, Matsumura, H, Inoue, T.
Deposit date:2009-06-04
Release date:2009-10-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of peroxiredoxin from Aeropyrum pernix K1 complexed with its substrate, hydrogen peroxide
J.Biochem., 147, 2010
7KJH
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BU of 7kjh by Molmil
Plasmodium falciparum protein Pf12p bound to nanobody B9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Nanobody B9, ...
Authors:Dietrich, M.H, Tham, W.H.
Deposit date:2020-10-26
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nanobody generation and structural characterization of Plasmodium falciparum 6-cysteine protein Pf12p.
Biochem.J., 478, 2021
2IKQ
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BU of 2ikq by Molmil
Crystal structure of mouse Sts-1 PGM domain in complex with phosphate
Descriptor: PHOSPHATE ION, Suppressor of T-cell receptor signaling 1
Authors:Chen, Y, Nassar, N.
Deposit date:2006-10-02
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:A Phosphatase Activity of Sts-1 Contributes to the Suppression of TCR Signaling
Mol.Cell, 27, 2007
7Q10
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BU of 7q10 by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
Descriptor: 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ...
Authors:Pontillo, N, Guskov, A.
Deposit date:2021-10-17
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa
To Be Published
2MCG
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BU of 2mcg by Molmil
THREE-DIMENSIONAL STRUCTURE OF A LIGHT CHAIN DIMER CRYSTALLIZED IN WATER. CONFORMATIONAL FLEXIBILITY OF A MOLECULE IN TWO CRYSTAL FORMS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN)
Authors:Ely, K.R, Herron, J.N, Edmundson, A.B.
Deposit date:1989-05-09
Release date:1990-10-15
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of a light chain dimer crystallized in water. Conformational flexibility of a molecule in two crystal forms.
J.Mol.Biol., 210, 1989
7EAD
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BU of 7ead by Molmil
Crystal structure of beta-sheet cytochrome c prime from Thermus thermophilus.
Descriptor: Cytochrome_P460 domain-containing protein, HEME C
Authors:Yoshimi, T, Fujii, S, Oki, H, Igawa, T, Adams, R.H, Ueda, K, Kawahara, K, Ohkubo, T, Hough, A.M, Sambongi, Y.
Deposit date:2021-03-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of thermally stable homodimeric cytochrome c'-beta from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 78, 2022
7EBA
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BU of 7eba by Molmil
Co-crystal of kurarinone with sEH
Descriptor: (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one, Bifunctional epoxide hydrolase 2
Authors:Sun, C.P, Ma, X.C.
Deposit date:2021-03-09
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model.
Proc.Natl.Acad.Sci.USA, 119, 2022
7KP4
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BU of 7kp4 by Molmil
Crystal structure of human claudin-4 in complex with Clostridium perfringens enterotoxin C-terminal domain
Descriptor: Claudin-4, Heat-labile enterotoxin B chain
Authors:Vecchio, A.J, Stroud, R.M.
Deposit date:2020-11-10
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Structural basis for Clostridium perfringens enterotoxin targeting of claudins at tight junctions in mammalian gut.
Proc.Natl.Acad.Sci.USA, 118, 2021
2M24
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BU of 2m24 by Molmil
NMR solution structure of the d3'-hairpin including the exon binding site 1 (EBS1) of the group II intron Sc.ai5gamma
Descriptor: RNA (29-MER)
Authors:Kruschel, D, Skilandat, M, Sigel, R.K.O.
Deposit date:2012-12-12
Release date:2013-12-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of the 5' splice site in the group IIB intron Sc.ai5 gamma--conformational requirements for exon-intron recognition.
Rna, 20, 2014
7KMS
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BU of 7kms by Molmil
Cryo-EM structure of triple ACE2-bound SARS-CoV-2 trimer spike at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-11-03
Release date:2020-12-09
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020

224004

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