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2N3D
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BU of 2n3d by Molmil
Atomic structure of the cytoskeletal bactofilin BacA revealed by solid-state NMR
Descriptor: Bactofilin A
Authors:Shi, C, Fricke, P, Lin, L, Chevelkov, V, Wegstroth, M, Giller, K, Becker, S, Thanbichler, M, Lange, A.
Deposit date:2015-05-29
Release date:2015-12-16
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Atomic-resolution structure of cytoskeletal bactofilin by solid-state NMR.
Sci Adv, 1, 2015
2L26
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BU of 2l26 by Molmil
Rv0899 from Mycobacterium tuberculosis contains two separated domains
Descriptor: Uncharacterized protein Rv0899/MT0922
Authors:Shi, C, Li, J, Gao, Y, Wu, K, Huang, H, Tian, C.
Deposit date:2010-08-12
Release date:2011-08-17
Last modified:2011-12-07
Method:SOLUTION NMR
Cite:Structural Studies of Mycobacterium tuberculosis Rv0899 Reveal a Monomeric Membrane-Anchoring Protein with Two Separate Domains
J.Mol.Biol., 2011
6OWV
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BU of 6owv by Molmil
Crystal structure of a Human Cardiac Calsequestrin Filament
Descriptor: CHLORIDE ION, Calsequestrin-2, SULFATE ION
Authors:Titus, E.W, Deiter, F.H, Shi, C, Jura, N, Deo, R.C.
Deposit date:2019-05-12
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The structure of a calsequestrin filament reveals mechanisms of familial arrhythmia.
Nat.Struct.Mol.Biol., 27, 2020
6OWW
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BU of 6oww by Molmil
Crystal structure of a Human Cardiac Calsequestrin Filament Complexed with Ytterbium
Descriptor: Calsequestrin-2, SULFATE ION, YTTERBIUM (III) ION
Authors:Titus, E.W, Deiter, F.H, Shi, C, Jura, N, Deo, R.C.
Deposit date:2019-05-12
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:The structure of a calsequestrin filament reveals mechanisms of familial arrhythmia.
Nat.Struct.Mol.Biol., 27, 2020
6DVR
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BU of 6dvr by Molmil
Crystal structure of human CARM1 with (R)-SKI-72
Descriptor: (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2018-06-25
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of human CARM1 with (R)-SKI-72
to be published
2LQ9
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BU of 2lq9 by Molmil
Solution structure of the K60A mutant of Atox1
Descriptor: Copper transport protein ATOX1
Authors:Xi, Z, Shi, C, Lai, C, Tian, C, Liu, Y.
Deposit date:2012-02-28
Release date:2013-03-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the K60A mutant of Atox1
To be Published
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-13
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-14
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
2M9M
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BU of 2m9m by Molmil
Solution Structure of ERCC4 domain of human FAAP24
Descriptor: Fanconi anemia-associated protein of 24 kDa
Authors:Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
Deposit date:2013-06-18
Release date:2013-09-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013
2M9N
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BU of 2m9n by Molmil
Solution Structure of (HhH)2 domain of human FAAP24
Descriptor: Fanconi anemia-associated protein of 24 kDa
Authors:Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
Deposit date:2013-06-18
Release date:2013-09-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013
6ILX
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BU of 6ilx by Molmil
Crystal structure of PETase W159F mutant from Ideonella sakaiensis
Descriptor: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION
Authors:Liu, C.C, Shi, C.
Deposit date:2018-10-20
Release date:2019-03-27
Last modified:2020-09-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of polyethylene terephthalate hydrolase from Ideonella sakaiensis.
Biochem. Biophys. Res. Commun., 508, 2019
6ILW
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BU of 6ilw by Molmil
Crystal structure of PETase from Ideonella sakaiensis
Descriptor: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION
Authors:Liu, C.C, Shi, C.
Deposit date:2018-10-19
Release date:2019-03-27
Last modified:2020-09-09
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structural and functional characterization of polyethylene terephthalate hydrolase from Ideonella sakaiensis.
Biochem. Biophys. Res. Commun., 508, 2019
4DG8
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BU of 4dg8 by Molmil
Structure of PA1221, an NRPS protein containing adenylation and PCP domains
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, PA1221
Authors:Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M.
Deposit date:2012-01-25
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains.
Biochemistry, 51, 2012
4DG9
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BU of 4dg9 by Molmil
Structure of holo-PA1221, an NRPS protein containing adenylation and PCP domains bound to vinylsulfonamide inhibitor
Descriptor: 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, PA1221
Authors:Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M.
Deposit date:2012-01-25
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains.
Biochemistry, 51, 2012
2MSG
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BU of 2msg by Molmil
Solid-state NMR structure of ubiquitin
Descriptor: Ubiquitin
Authors:Lakomek, N, Habenstein, B, Loquet, A, Shi, C, Giller, K, Wolff, S, Becker, S, Fasshuber, H, Lange, A.
Deposit date:2014-08-04
Release date:2015-02-18
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Structural heterogeneity in microcrystalline ubiquitin studied by solid-state NMR.
Protein Sci., 24, 2015
7ECQ
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BU of 7ecq by Molmil
Crystal structure of FAM3A
Descriptor: Protein FAM3A, SULFATE ION, [(2R)-1-(trimethyl-$l^4-azanyl)propan-2-yl] ethanoate
Authors:Chang, Z, Shi, C.
Deposit date:2021-03-13
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:High Resolution Crystal Structure of FAM3A shed lights on its function on beta-oxidation
To Be Published
3TFT
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BU of 3tft by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, pre-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE
Authors:Geders, T.W, Finzel, B.C.
Deposit date:2011-08-16
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis.
J.Am.Chem.Soc., 133, 2011
3TFU
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BU of 3tfu by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Authors:Geders, T.W, Finzel, B.C.
Deposit date:2011-08-16
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis.
J.Am.Chem.Soc., 133, 2011
8WPG
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BU of 8wpg by Molmil
Human calcium-sensing receptor bound with cinacalcet in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8WPU
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BU of 8wpu by Molmil
Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
6PAK
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BU of 6pak by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E
Authors:Tang, H, Shi, K, Aihara, H.
Deposit date:2019-06-11
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy.
J.Biol.Chem., 294, 2019
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
7CAL
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BU of 7cal by Molmil
Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1
Authors:Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L.
Deposit date:2020-06-09
Release date:2020-07-29
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
4UMY
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BU of 4umy by Molmil
IDH1 R132H in complex with cpd 1
Descriptor: GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McLean, L, Zhang, Y, Mathieu, M.
Deposit date:2014-05-22
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
4UMX
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BU of 4umx by Molmil
IDH1 R132H in complex with cpd 1
Descriptor: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ...
Authors:Mathieu, M, Marquette, J.P.
Deposit date:2014-05-22
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015

 

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