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6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMN
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BU of 6imn by Molmil
The crystal structure of AsfvLIG:CT2 complex
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
5O6T
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BIRC4 RING in complex with dimeric ubiquitin variant
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, Polyubiquitin-B, ...
Authors:Gabrielsen, M, Buetow, L, Huang, D.T.
Deposit date:2017-06-07
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
6IML
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BU of 6iml by Molmil
The crystal structure of AsfvLIG:CT1 complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
3AUN
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BU of 3aun by Molmil
Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a synthetic peptide containing the NR2 box of DRIP 205
Descriptor: (2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2011-02-10
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Design, synthesis and X-ray crystallographic study of new nonsecosteroidal vitamin D receptor ligands
Bioorg.Med.Chem.Lett., 21, 2011
6TGK
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Domain swapped E6AP C-lobe dimer
Descriptor: ACETATE ION, CALCIUM ION, Ubiquitin-protein ligase E3A
Authors:Ries, L.K, Feiler, C, Lowe, L.D, Liess, A.K.L, Lorenz, S.
Deposit date:2019-11-16
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the catalytic C-lobe of the HECT-type ubiquitin ligase E6AP.
Protein Sci., 29, 2020
6AD9
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BU of 6ad9 by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9
Descriptor: 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma
Authors:Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
7A9I
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Crystal structure of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
7A9J
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BU of 7a9j by Molmil
Crystal structure of the R395G mutant form of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
1QKU
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BU of 1qku by Molmil
WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL
Descriptor: ESTRADIOL, ESTRADIOL RECEPTOR
Authors:Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D.
Deposit date:1999-08-05
Release date:2000-08-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a mutant hERalpha ligand-binding domain reveals key structural features for the mechanism of partial agonism.
J. Biol. Chem., 276, 2001
1FOT
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BU of 1fot by Molmil
STRUCTURE OF THE UNLIGANDED CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT FROM SACCHAROMYCES CEREVISIAE
Descriptor: CAMP-DEPENDENT PROTEIN KINASE TYPE 1
Authors:Mashhoon, N, Carmel, G, Pflugrath, J.W, Kuret, J.
Deposit date:2000-08-28
Release date:2001-06-13
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the unliganded cAMP-dependent protein kinase catalytic subunit from Saccharomyces cerevisiae.
Arch.Biochem.Biophys., 387, 2001
1MY4
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BU of 1my4 by Molmil
crystal structure of glutamate receptor ligand-binding core in complex with iodo-willardiine in the Zn crystal form
Descriptor: 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
4NWC
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BU of 4nwc by Molmil
Crystal structure of the GluK3 ligand-binding domain (S1S2) in complex with the agonist (2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic acid at 2.01 A resolution.
Descriptor: (2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Larsen, A.P, Venskutonyte, R, Frydenvang, K, Gajhede, M, Kastrup, J.S.
Deposit date:2013-12-06
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain.
Chemmedchem, 9, 2014
6RCY
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BU of 6rcy by Molmil
CRYSTAL STRUCTURE OF FK1 DOMAIN OF FKBP52 IN COMPLEX WITH A BIO-INSPIRED HYBRID FLUORESCENT LIGAND
Descriptor: (2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4
Authors:Li de la Sierra-Gallay, I, Byrne, C.
Deposit date:2019-04-12
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bioinspired Hybrid Fluorescent Ligands for the FK1 Domain of FKBP52.
J.Med.Chem., 63, 2020
2JGC
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BU of 2jgc by Molmil
Structure of the human eIF4E homologous protein, 4EHP without ligand bound
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1
Authors:Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L.
Deposit date:2007-02-12
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
5O76
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BU of 5o76 by Molmil
Structure of phosphoY371 c-CBL in complex with ZAP70-peptide and UbV.pCBL ubiquitin variant
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase CBL, Tyrosine protein kinase ZAP70 peptide, ...
Authors:Gabrielsen, M, Buetow, L, Huang, D.T.
Deposit date:2017-06-08
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
6HUE
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BU of 6hue by Molmil
ParkinS65N
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K.
Deposit date:2018-10-07
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
4GNY
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BU of 4gny by Molmil
Bovine beta-lactoglobulin complex with dodecyl sulfate
Descriptor: Beta-lactoglobulin, DODECYL SULFATE, GLYCEROL
Authors:Gutierrez-Magdaleno, G, Torres-Rivera, A, Garcia-Hernandez, E, Rodriguez-Romero, A.
Deposit date:2012-08-17
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6367 Å)
Cite:Ligand-binding and self-association cooperativity of beta-lactoglobulin
J.Mol.Recognit., 26, 2013
4HFI
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BU of 4hfi by Molmil
The GLIC pentameric Ligand-Gated Ion Channel at 2.4 A resolution
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sauguet, L, Corringer, P.J, Delarue, M.
Deposit date:2012-10-05
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
1MY3
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BU of 1my3 by Molmil
crystal structure of glutamate receptor ligand-binding core in complex with bromo-willardiine in the Zn crystal form
Descriptor: 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
3VRT
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BU of 3vrt by Molmil
VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3
Descriptor: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K.
Deposit date:2012-04-14
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VRU
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BU of 3vru by Molmil
VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3
Descriptor: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-14
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VRW
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BU of 3vrw by Molmil
VDR ligand binding domain in complex with 22S-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-16
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VRV
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BU of 3vrv by Molmil
VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-14
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3RPG
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BU of 3rpg by Molmil
Bmi1/Ring1b-UbcH5c complex structure
Descriptor: E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, Ubiquitin-conjugating enzyme E2 D3, ...
Authors:Bentley, M.L, Dong, K.C, Cochran, A.G.
Deposit date:2011-04-26
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6485 Å)
Cite:Recognition of UbcH5c and the nucleosome by the Bmi1/Ring1b ubiquitin ligase complex.
Embo J., 30, 2011

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