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4UXS
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BU of 4uxs by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
8CG3
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BU of 8cg3 by Molmil
Structure of TDP-43 amyloid filament from type A FTLD-TDP (variant 1)
Descriptor: TAR DNA-binding protein 43
Authors:Arseni, D, Ryskeldi-Falcon, B.
Deposit date:2023-02-03
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:TDP-43 forms amyloid filaments with a distinct fold in type A FTLD-TDP.
Nature, 620, 2023
4UY1
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BU of 4uy1 by Molmil
Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
Descriptor: 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H.
Deposit date:2014-08-28
Release date:2014-10-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
8BZB
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BU of 8bzb by Molmil
co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275)
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
4V0X
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BU of 4v0x by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-684)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
8CGG
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BU of 8cgg by Molmil
Structure of TDP-43 amyloid filament from type A FTLD-TDP (variant 2)
Descriptor: TAR DNA-binding protein 43
Authors:Arseni, D, Ryskeldi-Falcon, B.
Deposit date:2023-02-04
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:TDP-43 forms amyloid filaments with a distinct fold in type A FTLD-TDP.
Nature, 620, 2023
5XV1
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BU of 5xv1 by Molmil
Crystal structure of ATG101-ATG13HORMA
Descriptor: Autophagy-related protein 101, Autophagy-related protein 13
Authors:Kim, B.-W, Song, H.K.
Deposit date:2017-06-26
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Crystal structure of ATG101-ATG13HORMA
To Be Published
8CGH
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BU of 8cgh by Molmil
Structure of TDP-43 amyloid filament from type A FTLD-TDP (variant 3)
Descriptor: TAR DNA-binding protein 43
Authors:Arseni, D, Ryskeldi-Falcon, B.
Deposit date:2023-02-04
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:TDP-43 forms amyloid filaments with a distinct fold in type A FTLD-TDP.
Nature, 620, 2023
8CRH
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BU of 8crh by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil
Descriptor: 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2023-03-08
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
2A79
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BU of 2a79 by Molmil
Mammalian Shaker Kv1.2 potassium channel- beta subunit complex
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 2, ...
Authors:Long, S.B, Campbell, E.B, MacKinnon, R.
Deposit date:2005-07-05
Release date:2005-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a mammalian voltage-dependent Shaker family K+ channel.
Science, 309, 2005
8CA7
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BU of 8ca7 by Molmil
Omadacycline and spectinomycin bound to the 30S ribosomal subunit head
Descriptor: 16S rRNA, 30S ribosomal protein S7, MAGNESIUM ION, ...
Authors:Paternoga, H, Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2023-01-24
Release date:2023-08-02
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.06 Å)
Cite:Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
5XW5
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BU of 5xw5 by Molmil
Crystal structure of budding yeast Cdc14p (C283S) bound to a Swi6p phosphopeptide
Descriptor: Regulatory protein SWI6, SULFATE ION, Tyrosine-protein phosphatase CDC14
Authors:Kobayashi, J, Matsuura, Y.
Deposit date:2017-06-29
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and dimerization of the catalytic domain of the protein phosphatase Cdc14p, a key regulator of mitotic exit in Saccharomyces cerevisiae
Protein Sci., 26, 2017
8CKF
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BU of 8ckf by Molmil
Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand
Descriptor: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4
Authors:Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J.
Deposit date:2023-02-15
Release date:2023-08-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation.
Acs Chem.Biol., 18, 2023
8C3Y
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BU of 8c3y by Molmil
HB3VAR03 apo headstructure (PfEMP1 A)
Descriptor: PfEMP1
Authors:Raghavan, S.S.R, Lavstsen, T, Wang, K.T.
Deposit date:2022-12-29
Release date:2023-08-02
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
5X5D
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BU of 5x5d by Molmil
Human thymidylate synthase bound with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
8COL
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BU of 8col by Molmil
Crystal structure of Rhizobium etli constitutive L-asparaginase ReAIV (orthorombic form R4oP-2)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imioloczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M.
Deposit date:2023-02-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center.
Acta Crystallogr D Struct Biol, 79, 2023
5X4W
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BU of 5x4w by Molmil
Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition
Descriptor: PHOSPHATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
8CLZ
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BU of 8clz by Molmil
Crystal structure of Rhizobium etli constitutive L-asparaginase ReAIV (monoclinic form R4mC-2)
Descriptor: CHLORIDE ION, Putative L-asparaginase II protein, ZINC ION
Authors:Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imiolczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M.
Deposit date:2023-02-17
Release date:2023-08-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center.
Acta Crystallogr D Struct Biol, 79, 2023
5X5T
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BU of 5x5t by Molmil
Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (KGSADH) from Azospirillum brasilense
Descriptor: Alpha-ketoglutaric semialdehyde dehydrogenase, GLYCEROL
Authors:Son, H.-F, Kim, K.-J.
Deposit date:2017-02-17
Release date:2017-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights into the production of 3-hydroxypropionic acid by aldehyde dehydrogenase from Azospirillum brasilense.
Sci Rep, 7, 2017
8C76
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BU of 8c76 by Molmil
Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
Deposit date:2023-01-12
Release date:2023-08-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
5X5Y
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BU of 5x5y by Molmil
A membrane protein complex
Descriptor: Probable ATP-binding component of ABC transporter, Uncharacterized protein
Authors:Luo, Q, Yang, X, Huang, Y.
Deposit date:2017-02-18
Release date:2017-04-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.465 Å)
Cite:Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
8C73
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BU of 8c73 by Molmil
Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition form ll
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator
Authors:Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
Deposit date:2023-01-12
Release date:2023-08-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8CLY
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BU of 8cly by Molmil
Crystal structure of Rhizobium etli constitutive L-asparaginase ReAIV (tetragonal form R4tP)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative L-asparaginase II protein, ...
Authors:Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imiolczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M.
Deposit date:2023-02-17
Release date:2023-08-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center.
Acta Crystallogr D Struct Biol, 79, 2023
4W7S
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BU of 4w7s by Molmil
Crystal structure of the yeast DEAD-box splicing factor Prp28 at 2.54 Angstroms resolution
Descriptor: GLYCEROL, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ...
Authors:Jacewicz, A, Smith, P, Schwer, B, Shuman, S.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.542 Å)
Cite:Crystal structure, mutational analysis and RNA-dependent ATPase activity of the yeast DEAD-box pre-mRNA splicing factor Prp28.
Nucleic Acids Res., 42, 2014
6OZ6
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BU of 6oz6 by Molmil
Crystal structure of MraY bound to 3'-hydroxymureidomycin A
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Mashalidis, E.H, Lee, S.Y.
Deposit date:2019-05-15
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Chemical logic of MraY inhibition by antibacterial nucleoside natural products.
Nat Commun, 10, 2019

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