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6DGF
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BU of 6dgf by Molmil
Ubiquitin Variant bound to USP2
Descriptor: Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ...
Authors:Manczyk, N, Sicheri, F.
Deposit date:2018-05-17
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases.
J. Mol. Biol., 431, 2019
6DMR
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BU of 6dmr by Molmil
Lipid-bound full-length rbTRPV5
Descriptor: Transient receptor potential cation channel subfamily V member 5
Authors:Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2018-06-05
Release date:2018-10-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018
6DMU
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BU of 6dmu by Molmil
PI(4,5)P2 bound full-length rbTRPV5
Descriptor: Transient receptor potential cation channel subfamily V member 5, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2018-06-05
Release date:2018-10-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018
6DMW
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BU of 6dmw by Molmil
Calmodulin-bound full-length rbTRPV5
Descriptor: CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 5
Authors:Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2018-06-05
Release date:2018-10-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018
7CSQ
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BU of 7csq by Molmil
Solution structure of the complex between p75NTR-DD and TRADD-DD
Descriptor: Tumor necrosis factor receptor superfamily member 16, Tumor necrosis factor receptor type 1-associated DEATH domain protein
Authors:Lin, Z, Zhang, N.
Deposit date:2020-08-16
Release date:2021-08-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of NF-kappa B signaling by the p75 neurotrophin receptor interaction with adaptor protein TRADD through their respective death domains.
J.Biol.Chem., 297, 2021
4U4M
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BU of 4u4m by Molmil
Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
Descriptor: 1,2-ETHANEDIOL, PYRUVIC ACID, UREA, ...
Authors:Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-07-24
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
To be published
5JFG
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BU of 5jfg by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-19
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Humanisation of RadA from Pyrococcus furiosus
To Be Published
3KVL
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BU of 3kvl by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
4K3D
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BU of 4k3d by Molmil
Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3
Descriptor: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Ekiert, D.C, Wang, F, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
4K3E
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BU of 4k3e by Molmil
Crystal structure of bovine antibody BLV5B8 with ultralong CDR H3
Descriptor: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Ekiert, D.C, Wang, F, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
5D6X
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BU of 5d6x by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
Descriptor: Lysine-specific demethylase 4A, SULFATE ION
Authors:Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5D6Y
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BU of 5d6y by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A complexed with histone H3K23me3
Descriptor: Lysine-specific demethylase 4A, peptide H3K23me3 (19-28)
Authors:Wang, F, Su, Z, Miller, M.D, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2016-02-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
3N2X
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BU of 3n2x by Molmil
Crystal structure of YagE, a prophage protein belonging to the dihydrodipicolinic acid synthase family from E. coli K12 in complex with pyruvate
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein yagE
Authors:Bhaskar, V, Kumar, P.M, Manicka, S, Krishnaswamy, S.
Deposit date:2010-05-19
Release date:2011-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysis.
Proteins, 79, 2011
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2015-10-16
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
5D6W
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BU of 5d6w by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
Descriptor: Lysine-specific demethylase 4A, S,R MESO-TARTARIC ACID
Authors:Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5EFM
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BU of 5efm by Molmil
Beclin 1 Flexible-helical Domian (FHD) (141-171)
Descriptor: Beclin-1, SULFATE ION
Authors:Sinha, S, Mei, Y.
Deposit date:2015-10-23
Release date:2016-07-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy.
Biochemistry, 55, 2016
3KVM
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BU of 3kvm by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVK
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BU of 3kvk by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
5E3H
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BU of 5e3h by Molmil
Structural Basis for RNA Recognition and Activation of RIG-I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, GLYCEROL, ...
Authors:Jiang, F, Miller, M.T, Marcotrigiano, J.
Deposit date:2015-10-02
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of RNA recognition and activation by innate immune receptor RIG-I.
Nature, 479, 2011
3NEV
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BU of 3nev by Molmil
Crystal structure of YagE, a prophage protein from E. coli K12 in complex with KDGal
Descriptor: 1,2-ETHANEDIOL, 3-DEOXY-D-LYXO-HEXONIC ACID, Uncharacterized protein yagE
Authors:Bhaskar, V, Kumar, P.M, Manicka, S, Krishnaswamy, S.
Deposit date:2010-06-09
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Identification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysis.
Proteins, 79, 2011
2ZEQ
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BU of 2zeq by Molmil
Crystal structure of ubiquitin-like domain of murine Parkin
Descriptor: E3 ubiquitin-protein ligase parkin
Authors:Tomoo, K.
Deposit date:2007-12-14
Release date:2008-08-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure and molecular dynamics simulation of ubiquitin-like domain of murine parkin
Biochim.Biophys.Acta, 1784, 2008
2G8Q
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BU of 2g8q by Molmil
The crystal structure of RNase A from monoclinic crystals at 100 K
Descriptor: Ribonuclease pancreatic
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2006-03-03
Release date:2006-08-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The binding of 3'-N-piperidine-4-carboxyl-3'-deoxy-ara-uridine to ribonuclease A in the crystal.
Bioorg.Med.Chem., 14, 2006
2G8R
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BU of 2g8r by Molmil
The crystal structure of the RNase A- 3-N-piperidine-4-carboxyl-3-deoxy-ara-uridine complex
Descriptor: 1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE, Ribonuclease pancreatic
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2006-03-03
Release date:2006-08-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The binding of 3'-N-piperidine-4-carboxyl-3'-deoxy-ara-uridine to ribonuclease A in the crystal.
Bioorg.Med.Chem., 14, 2006
4OE7
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BU of 4oe7 by Molmil
Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal
Descriptor: (4R)-4-hydroxy-2,5-dioxopentanoic acid, (4S)-4-hydroxy-2,5-dioxopentanoic acid, 1,2-ETHANEDIOL, ...
Authors:Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-01-12
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal
To be Published

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