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2LUS
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BU of 2lus by Molmil
NMR structure of Carcinoscorpius rotundicauda thioredoxin related protein 16 and its role in regulating transcription factor NF-kB activity
Descriptor: Thioredoxion
Authors:Giri, P.K, Fan, J, Kunchithapadam, S, Sivaraman, J.
Deposit date:2012-06-21
Release date:2012-07-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of Carcinoscorpius rotundicauda thioredoxin-related protein 16 and its role in regulating transcription factor NF-kB activity.
J.Biol.Chem., 287, 2012
4NC4
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BU of 4nc4 by Molmil
Crystal structure of photoreceptor AtUVR8 mutant W285F and light-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4Q2M
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BU of 4q2m by Molmil
Structure of the E. coli YajR Transporter YAM Domain Combined Iodine
Descriptor: ACETIC ACID, CADMIUM ION, IODIDE ION, ...
Authors:Zhang, X.C.
Deposit date:2014-04-09
Release date:2014-07-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Atomic resolution structure of the E. coli YajR transporter YAM domain.
Biochem.Biophys.Res.Commun., 450, 2014
4Q2L
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BU of 4q2l by Molmil
Atomic Resolution Structure of the E. coli YajR Transporter YAM Domain
Descriptor: ACETIC ACID, CADMIUM ION, Major facilitator superfamily MFS_1
Authors:Zhang, X.C.
Deposit date:2014-04-09
Release date:2014-07-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.071 Å)
Cite:Atomic resolution structure of the E. coli YajR transporter YAM domain.
Biochem.Biophys.Res.Commun., 450, 2014
4Q46
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BU of 4q46 by Molmil
The second structure of Influenza B PB2 cap-binding domain complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Polymerase basic protein 2
Authors:Liu, Y, Yang, Y, Zheng, X.
Deposit date:2014-04-13
Release date:2015-02-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the PB2 cap-binding domain of influenza B virus reveals a novel cap recognition mechanism.
J.Biol.Chem., 290, 2015
4NAA
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BU of 4naa by Molmil
Crystal structure of UVB photoreceptor UVR8 from Arabidopsis thaliana and UV-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Ren, Z, Zhao, K.H.
Deposit date:2013-10-22
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4LI7
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BU of 4li7 by Molmil
TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide
Descriptor: 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide, SODIUM ION, SULFATE ION, ...
Authors:Kirby, C.A, Stams, T.
Deposit date:2013-07-02
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
4LI6
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BU of 4li6 by Molmil
TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
Descriptor: N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide, SULFATE ION, Tankyrase-1, ...
Authors:Kirby, C.A, Stams, T.
Deposit date:2013-07-02
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
8IS4
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BU of 8is4 by Molmil
Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ...
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
8IS5
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BU of 8is5 by Molmil
Structure of an Isocytosine specific deaminase Vcz with close state
Descriptor: Hydroxydechloroatrazine ethylaminohydrolase, SULFATE ION, ZINC ION
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
4LI8
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BU of 4li8 by Molmil
TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
Descriptor: 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ...
Authors:Kirby, C.A, Stams, T.
Deposit date:2013-07-02
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.521 Å)
Cite:Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
4G1A
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BU of 4g1a by Molmil
Metal-binding properties of a self-assembled coiled coil: formation of a polynuclear Cd-thiolated cluster
Descriptor: AQ-C16C19 peptide, CADMIUM ION
Authors:Ni, S, Kennedy, M.A, Ogawa, M.Y.
Deposit date:2012-07-10
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Metal-binding properties and structural characterization of a self-assembled coiled coil: Formation of a polynuclear Cd-thiolate cluster.
J.Inorg.Biochem., 119C, 2012
3FE5
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BU of 3fe5 by Molmil
Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney
Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION
Authors:Dilovic, I, Gliubich, F, Malpeli, G, Zanotti, G, Matkovic-Calogovic, D.
Deposit date:2008-11-27
Release date:2009-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase.
Biopolymers, 2009
7X5V
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BU of 7x5v by Molmil
NaVEh Sodium channel, and NaVEh from the coccolithophore Emiliania huxleyi
Descriptor: ion channel, ion channel,GFP-TwinStrep
Authors:Jiang, D, Zhang, J.
Deposit date:2022-03-05
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:N-type fast inactivation of a eukaryotic voltage-gated sodium channel.
Nat Commun, 13, 2022
3JWT
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BU of 3jwt by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX1
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BU of 3jx1 by Molmil
Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWX
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BU of 3jwx by Molmil
Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3'R,4'R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX6
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BU of 3jx6 by Molmil
Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWY
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BU of 3jwy by Molmil
Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
7VAA
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BU of 7vaa by Molmil
Crystal structure of MiCGT(W93V/V124F/ F191A/R282H) in complex with UDPs
Descriptor: UDP-glycosyltransferase 13, URIDINE-5'-DIPHOSPHATE
Authors:Zhong, L, Zhang, Z.M.
Deposit date:2021-08-27
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.10002756 Å)
Cite:Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids
Acs Catalysis, 11, 2021
7VA8
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BU of 7va8 by Molmil
Crystal structure of MiCGT
Descriptor: UDP-glycosyltransferase 13, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Zhong, L, Zhang, Z.M.
Deposit date:2021-08-27
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85003233 Å)
Cite:Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids
Acs Catalysis, 11, 2021
7WW2
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BU of 7ww2 by Molmil
Structure of an Isocytosine specific deaminase Vcz
Descriptor: 8-oxoguanine deaminase, ZINC ION
Authors:Li, X.J, Wu, B.X.
Deposit date:2022-02-12
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
7X1R
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BU of 7x1r by Molmil
Cryo-EM structure of human thioredoxin reductase bound by Au
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ...
Authors:He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y.
Deposit date:2022-02-24
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Au4 cluster inhibits human thioredoxin reductase activity via specifically binding of Au to Cys189
Nano Today, 47, 2022
7V6Z
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BU of 7v6z by Molmil
Cryo-EM structure of Patched1 (V1084A mutant) in lipid nanodisc, 3.64 angstrom (reprocessed with the dataset of 7dzp)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Luo, Y, Zhao, Y, Qu, Q, Li, D.
Deposit date:2021-08-20
Release date:2021-09-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
7V6Y
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BU of 7v6y by Molmil
Cryo-EM structure of Patched in lipid nanodisc - the wildtype, 3.5 angstrom (re-processed with dataset of 7dzq)
Descriptor: (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Luo, Y, Zhao, Y, Qu, Q, Li, D.
Deposit date:2021-08-20
Release date:2021-09-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021

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