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8FKF
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Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKD
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BU of 8fkd by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKG
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BU of 8fkg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKC
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BU of 8fkc by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FHE
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BU of 8fhe by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FHG
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BU of 8fhg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
Descriptor: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FHF
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BU of 8fhf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
Descriptor: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
2NSQ
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BU of 2nsq by Molmil
Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-11-06
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
To be Published
8JEB
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BU of 8jeb by Molmil
Crystal structure of CGL1 from Crassostrea gigas, mannotetraose-bound form (CGL1/Man(alpha)1-2Man(alpha)1-2Man(alpha)1-6Man)
Descriptor: ACETIC ACID, MAGNESIUM ION, Natterin-3, ...
Authors:Unno, H, Hatakeyama, T.
Deposit date:2023-05-15
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mannose oligosaccharide recognition of CGL1, a mannose-specific lectin containing DM9 motifs from Crassostrea gigas, revealed by X-ray crystallographic analysis.
J.Biochem., 175, 2023
6KDU
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BU of 6kdu by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ...
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-07-02
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
1Z16
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BU of 1z16 by Molmil
Crystal structure analysis of periplasmic Leu/Ile/Val-binding protein with bound leucine
Descriptor: CADMIUM ION, LEUCINE, Leu/Ile/Val-binding protein
Authors:Trakhanov, S.D, Vyas, N.K, Kristensen, D.M, Ma, J, Quiocho, F.A.
Deposit date:2005-03-03
Release date:2005-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Ligand-free and -bound structures of the binding protein (LivJ) of the Escherichia coli ABC leucine/isoleucine/valine transport system: trajectory and dynamics of the interdomain rotation and ligand specificity.
Biochemistry, 44, 2005
1Z18
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BU of 1z18 by Molmil
Crystal structure analysis of periplasmic Leu/Ile/Val-binding protein with bound valine
Descriptor: CADMIUM ION, Leu/Ile/Val-binding protein, VALINE
Authors:Trakhanov, S.D, Vyas, N.K, Kristensen, D.M, Ma, J, Quiocho, F.A.
Deposit date:2005-03-03
Release date:2005-10-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand-free and -bound structures of the binding protein (LivJ) of the Escherichia coli ABC leucine/isoleucine/valine transport system: trajectory and dynamics of the interdomain rotation and ligand specificity.
Biochemistry, 44, 2005
6KRH
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BU of 6krh by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ...
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-21
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
6IDV
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BU of 6idv by Molmil
Peptide Asparaginyl Ligases from Viola yedoensis
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:El Sahili, A, Hu, S, Lescar, J.
Deposit date:2018-09-11
Release date:2019-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural determinants for peptide-bond formation by asparaginyl ligases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CY6
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BU of 6cy6 by Molmil
Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Escherichia coli in complex with tris(hydroxymethyl)aminomethane.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-04
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
Acta Crystallogr D Struct Biol, 75, 2019
5G4Y
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BU of 5g4y by Molmil
Structural basis for carboxylic acid recognition by a Cache chemosensory domain.
Descriptor: Methyl-accepting chemotaxis sensory transducer with Cache sensor, UNKNOWN LIGAND
Authors:Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L.
Deposit date:2016-05-18
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae.
Sci Rep, 6, 2016
7BCN
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BU of 7bcn by Molmil
Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with Xylonic acid
Descriptor: D-xylonic acid, Putative TRAP transporter solute receptor DctP
Authors:Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A.
Deposit date:2020-12-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
3Q4J
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BU of 3q4j by Molmil
Structure of a small peptide ligand bound to E.coli DNA sliding clamp
Descriptor: DNA polymerase III subunit beta, peptide ligand
Authors:Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D.
Deposit date:2010-12-23
Release date:2011-12-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of short peptide ligands binding onto the E. coli processivity ring.
J.Med.Chem., 54, 2011
4X1E
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BU of 4x1e by Molmil
Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant
Descriptor: HTH-type transcriptional regulator RutR
Authors:Nguyen Le Minh, P, de Cima, S, Bervoets, I, Maes, D, Rubio, V, Charlier, D.
Deposit date:2014-11-24
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli.
Febs Open Bio, 5, 2015
5MIY
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BU of 5miy by Molmil
Crystal structure of the E3 ubiquitin ligase RavN from Legionella pneumophila
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin ligase RavN, SODIUM ION, ...
Authors:Lucas, M, Abascal-Palacios, G, Rojas, A.L, Hierro, A.
Deposit date:2016-11-29
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.717 Å)
Cite:RavN is a member of a previously unrecognized group of Legionella pneumophila E3 ubiquitin ligases.
PLoS Pathog., 14, 2018
9J8F
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BU of 9j8f by Molmil
Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Bifunctional ligase/repressor BirA, PENTAETHYLENE GLYCOL
Authors:Lee, J.Y, Jeong, K.H, Son, S.B, Ko, J.H.
Deposit date:2024-08-21
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor.
Biochem.Biophys.Res.Commun., 733, 2024
5H7R
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BU of 5h7r by Molmil
Structural basis of the flanking zinc-finger motifs crucial for the E3 ligase activity of the LNX1 RING domain
Descriptor: E3 ubiquitin-protein ligase LNX, ZINC ION
Authors:Nayak, D, Sivaraman, J.
Deposit date:2016-11-21
Release date:2017-11-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of LNX1:Ubc13~Ubiquitin Complex Reveals the Role of Additional Motifs for the E3 Ligase Activity of LNX1.
J. Mol. Biol., 430, 2018
3FAH
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BU of 3fah by Molmil
Glycerol inhibited form of Aldehyde oxidoreductase from Desulfovibrio gigas
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), Aldehyde oxidoreductase, CHLORIDE ION, ...
Authors:Santos-Silva, T, Romao, M.J.
Deposit date:2008-11-17
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Kinetic, structural, and EPR studies reveal that aldehyde oxidoreductase from Desulfovibrio gigas does not need a sulfido ligand for catalysis and give evidence for a direct Mo-C interaction in a biological system.
J.Am.Chem.Soc., 131, 2009
3FC4
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BU of 3fc4 by Molmil
Ethylene glycol inhibited form of Aldehyde oxidoreductase from Desulfovibrio gigas
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 1,2-ETHANEDIOL, Aldehyde oxidoreductase, ...
Authors:Santos-Silva, T, Romao, M.J.
Deposit date:2008-11-21
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Kinetic, structural, and EPR studies reveal that aldehyde oxidoreductase from Desulfovibrio gigas does not need a sulfido ligand for catalysis and give evidence for a direct Mo-C interaction in a biological system.
J.Am.Chem.Soc., 131, 2009

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數據於2025-07-09公開中

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