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4UY4
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BU of 4uy4 by Molmil
1.86 A structure of human Spindlin-4 protein in complex with histone H3K4me3 peptide
Descriptor: GLYCEROL, HISTONE H3K4ME3, SPINDLIN-4
Authors:Talon, R, Gileadi, C, Johansson, C, Burgess-Brown, N, Shrestha, L, von Delft, F, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U.
Deposit date:2014-08-28
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
2RR3
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BU of 2rr3 by Molmil
Solution structure of the complex between human VAP-A MSP domain and human OSBP FFAT motif
Descriptor: Oxysterol-binding protein 1, Vesicle-associated membrane protein-associated protein A
Authors:Furuita, K, Jee, J, Fukada, H, Mishima, M, Kojima, C.
Deposit date:2010-03-09
Release date:2010-03-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Electrostatic interaction between oxysterol-binding protein and VAMP-associated protein A revealed by NMR and mutagenesis studies
J.Biol.Chem., 285, 2010
8HAV
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BU of 8hav by Molmil
An auto-activation mechanism of plant non-specific phospholipase C
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-specific phospholipase C4
Authors:Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P.
Deposit date:2022-10-26
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C.
Nat Commun, 14, 2023
5SOT
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BU of 5sot by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000292637864 - (R) and (S) isomers
Descriptor: Non-structural protein 3, {1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol, {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V37
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BU of 4v37 by Molmil
Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 3-aminopropan-1-ol, BETAINE ALDEHYDE DEHYDROGENASE, ...
Authors:Zarate-Romero, A, Munoz-Clares, R.A.
Deposit date:2014-10-16
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a Stable Thiohemiacetal Involving a Conserved Cysteine in the Substrate Inactivation of S. Oleracea Betaine Aldehyde Dehydrogenase
To be Published
8HOW
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BU of 8how by Molmil
Crystal structure of AtHPPD-Y191052 complex
Descriptor: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Yang, G.-F, Lin, H.-Y, Dong, J.
Deposit date:2022-12-11
Release date:2023-01-25
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
2RS2
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BU of 2rs2 by Molmil
1H, 13C, and 15N Chemical Shift Assignments for Musashi1 RBD1:r(GUAGU) complex
Descriptor: RNA (5'-R(*GP*UP*AP*GP*U)-3'), RNA-binding protein Musashi homolog 1
Authors:Ohyama, T, Nagata, T, Tsuda, K, Imai, T, Okano, H, Yamazaki, T, Katahira, M.
Deposit date:2011-06-27
Release date:2011-12-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of Musashi1 in a complex with target RNA: the role of aromatic stacking interactions
Nucleic Acids Res., 2011
4UYU
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BU of 4uyu by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I IODIDE COMPLEX - 2.3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ...
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-03
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
5SOX
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BU of 5sox by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000043461211
Descriptor: 4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H1T
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BU of 8h1t by Molmil
Cryo-EM structure of BAP1-ASXL1 bound to chromatosome
Descriptor: DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ...
Authors:Ge, W, Yu, C, Xu, R.M.
Deposit date:2022-10-04
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase.
Nature, 616, 2023
2RVB
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BU of 2rvb by Molmil
Solution structure of the complex between XPC acidic domain and TFIIH p62 PH domain
Descriptor: DNA repair protein complementing XP-C cells, General transcription factor IIH subunit 1
Authors:Okuda, M, Nishimura, Y.
Deposit date:2015-07-01
Release date:2015-09-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Insight into the Mechanism of TFIIH Recognition by the Acidic String of the Nucleotide Excision Repair Factor XPC.
Structure, 23, 2015
5SR5
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BU of 5sr5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265454473 - (R) isomer
Descriptor: (2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V19
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BU of 4v19 by Molmil
Structure of the large subunit of the mammalian mitoribosome, part 1 of 2
Descriptor: MAGNESIUM ION, MITORIBOSOMAL 16S RRNA, MITORIBOSOMAL CP TRNA, ...
Authors:Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N.
Deposit date:2014-09-25
Release date:2014-10-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome
Nature, 515, 2014
8HR8
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BU of 8hr8 by Molmil
Structure of heptameric RdrA ring
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
5SR8
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BU of 5sr8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4914650235 - (S) isomer
Descriptor: Non-structural protein 3, [(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V43
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BU of 4v43 by Molmil
Structural and mechanistic basis for allostery in the bacterial chaperonin GroEL
Descriptor: GROEL PROTEIN
Authors:Wang, J.
Deposit date:2002-01-02
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:A GroEL/GroES complex structure revisited: the structure-based mechanism of ATP hydrolysis
To be Published
2RBB
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BU of 2rbb by Molmil
Crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase family enzyme from Burkholderia phytofirmans PsJN
Descriptor: Glyoxalase/bleomycin resistance protein/dioxygenase
Authors:Rao, K.N, Sauder, J.M, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-09-18
Release date:2007-10-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase family enzyme from Burkholderia phytofirmans PsJN.
To be Published
4V4K
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BU of 4v4k by Molmil
Bacteriophage P22 Portal Protein bound to middle Tail Factor GP4. This file contain the second biological assembly
Descriptor: PACKAGED DNA STABILIZATION PROTEIN GP4, PORTAL PROTEIN
Authors:Olia, A.S, Cingolani, G.
Deposit date:2010-04-19
Release date:2014-07-09
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:Three-dimensional structure of a viral genome-delivery portal vertex.
Nat.Struct.Mol.Biol., 18, 2011
5SRB
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BU of 5srb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562532 - (R) and (S) isomers
Descriptor: (8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid, (8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H8S
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BU of 8h8s by Molmil
Bovine Heart Cytochrome c Oxidase in the Calcium-bound Fully Reduced State
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, 1,2-ETHANEDIOL, ...
Authors:Muramoto, K, Shinzawa-Itoh, K.
Deposit date:2022-10-24
Release date:2023-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Calcium-bound structure of bovine cytochrome c oxidase.
Biochim Biophys Acta Bioenerg, 1864, 2023
4V51
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BU of 4v51 by Molmil
Structure of the Thermus thermophilus 70S ribosome complexed with mRNA, tRNA and paromomycin
Descriptor: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Selmer, M, Dunham, C.M, Murphy, F.V, Weixlbaumer, A, Petry, S, Weir, J.R, Kelley, A.C, Ramakrishnan, V.
Deposit date:2006-07-31
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the 70S ribosome complexed with mRNA and tRNA.
Science, 313, 2006
8HNR
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BU of 8hnr by Molmil
Molecular structure of Kunitz-type trypsin inhibitor from seeds of Albizia procera
Descriptor: Kunitz-type trypsin inhibitor
Authors:Mehmood, S, Thirup, S.S, Saeed, A, Rafiq, M, Khaliq, B, Akrem, A.
Deposit date:2022-12-08
Release date:2023-02-01
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of Kunitz-type trypsin inhibitor: Entomotoxic effect of native and encapsulated protein targeting gut trypsin of Tribolium castaneum Herbst.
Comput Struct Biotechnol J, 23, 2024
5SOP
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BU of 5sop by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001364194305 - (R) isomer
Descriptor: (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V5J
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BU of 4v5j by Molmil
Structure of the 70S ribosome bound to Release factor 2 and a substrate analog provides insights into catalysis of peptide release
Descriptor: 16S Ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Jin, H, Kelley, A.C, Loakes, D, Ramakrishnan, V.
Deposit date:2010-03-24
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the 70S ribosome bound to release factor 2 and a substrate analog provides insights into catalysis of peptide release.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
2SN3
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BU of 2sn3 by Molmil
STRUCTURE OF SCORPION TOXIN VARIANT-3 AT 1.2 ANGSTROMS RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, SCORPION NEUROTOXIN (VARIANT 3)
Authors:Zhao, B, Carson, M, Ealick, S.E, Bugg, C.E.
Deposit date:1992-02-20
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of scorpion toxin variant-3 at 1.2 A resolution.
J.Mol.Biol., 227, 1992

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