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7BZ3
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BU of 7bz3 by Molmil
The mutant variant of PNGM-1. H257 was substituted for alanine to study substrate binding.
Descriptor: Metallo-beta-lactamase PNGM-1, ZINC ION
Authors:Park, Y.S, Kang, L.W, Lee, J.H.
Deposit date:2020-04-26
Release date:2021-04-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Study of Metal Binding and Coordination in Ancient Metallo-beta-Lactamase PNGM-1 Variants.
Int J Mol Sci, 21, 2020
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M, Khan, J.A.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
5K52
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BU of 5k52 by Molmil
Crystal structures of aldehyde deformylating oxygenase from Limnothrix sp. KNUA012
Descriptor: Aldehyde decarbonylase, octadecanal
Authors:Park, A.K, Kim, H-.W.
Deposit date:2016-05-23
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of aldehyde deformylating oxygenase from Limnothrix sp. KNUA012 and Oscillatoria sp. KNUA011.
Biochem. Biophys. Res. Commun., 477, 2016
5K53
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BU of 5k53 by Molmil
Crystal structures of aldehyde deformylating oxygenase from Oscillatoria sp. KNUA011
Descriptor: FE (III) ION, STEARIC ACID, aldehyde deformylating oxygenase
Authors:Park, A.K, Kim, H-.W.
Deposit date:2016-05-23
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of aldehyde deformylating oxygenase from Limnothrix sp. KNUA012 and Oscillatoria sp. KNUA011.
Biochem.Biophys.Res.Commun., 477, 2016
4R2U
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BU of 4r2u by Molmil
Crystal Structure of PPARgamma in complex with SR1664
Descriptor: 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Marciano, D.P, Kamenecka, T, Griffin, P.R, Bruning, J.B.
Deposit date:2014-08-13
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
3HM6
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BU of 3hm6 by Molmil
Crystal structure of the cytoplasmic domain of human plexin B1
Descriptor: Plexin-B1, UNKNOWN ATOM OR ION, Unknown peptide
Authors:Tong, Y, He, H, Shen, L, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-05-28
Release date:2009-06-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structure and function of the intracellular region of the plexin-b1 transmembrane receptor.
J.Biol.Chem., 284, 2009
5D9W
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BU of 5d9w by Molmil
Dehydroascorbate reductase (OsDHAR) complexed with ASA
Descriptor: ASCORBIC ACID, Dehydroascorbate reductase
Authors:Do, H, Lee, J.H.
Deposit date:2015-08-19
Release date:2016-02-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6897 Å)
Cite:Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
5D9T
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BU of 5d9t by Molmil
Crystal structure of dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Descriptor: Dehydroascorbate reductase, SODIUM ION
Authors:Do, H, Lee, J.H.
Deposit date:2015-08-19
Release date:2016-02-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
5D9X
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BU of 5d9x by Molmil
Dehydroascorbate reductase complexed with GSH
Descriptor: CALCIUM ION, Dehydroascorbate reductase, GLUTATHIONE
Authors:Do, H, Lee, J.H.
Deposit date:2015-08-19
Release date:2016-02-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
6RUJ
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BU of 6ruj by Molmil
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)3-hydroxy-Leu, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Nakashima, Y, McDonough, M.A, Schofield, C.J.
Deposit date:2019-05-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:A human protein hydroxylase that accepts D-residues
Commun Chem, 2020
2CKX
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BU of 2ckx by Molmil
Crystal structure of NgTRF1, double-stranded telomeric repeat binding factor from Nicotiana tabacum.
Descriptor: TELOMERE BINDING PROTEIN TBP1
Authors:Byun, J.-S, Cho, H.-S.
Deposit date:2006-04-24
Release date:2007-05-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DNA-Binding Domain of Ngtrf1 Reveals Unique Features of Plant Telomere-Binding Proteins.
Nucleic Acids Res., 36, 2008
4R6S
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BU of 4r6s by Molmil
Crystal structure of PPARgammma in complex with SR1663
Descriptor: 4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Marciano, D.P, Griffin, P.R, Bruning, J.B.
Deposit date:2014-08-26
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
8W77
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BU of 8w77 by Molmil
Human Consensus Olfactory Receptor OR52c in apo state, OR52c only
Descriptor: Human Consensus Olfactory Receptor OR52c in apo state, receptor only,Soluble cytochrome b562
Authors:Choi, C.W, Bae, J, Choi, H.-J, Kim, J.
Deposit date:2023-08-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
5Z2F
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BU of 5z2f by Molmil
NADPH/PDA bound Dihydrodipicolinate reductase from Paenisporosarcina sp. TG-14
Descriptor: Dihydrodipicolinate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYRIDINE-2,6-DICARBOXYLIC ACID
Authors:Lee, J.H, Lee, C.W, Park, S.
Deposit date:2018-01-02
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of dihydrodipicolinate reductase (PaDHDPR) from Paenisporosarcina sp. TG-14: structural basis for NADPH preference as a cofactor
Sci Rep, 8, 2018
5Z2D
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BU of 5z2d by Molmil
Dihydrodipicolinate reductase from Paenisporosarcina sp. TG-14
Descriptor: dihydrodipicolinate reductase
Authors:Lee, J.H, Lee, C.W, Park, S.
Deposit date:2018-01-02
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of dihydrodipicolinate reductase (PaDHDPR) from Paenisporosarcina sp. TG-14: structural basis for NADPH preference as a cofactor
Sci Rep, 8, 2018
3G1Q
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BU of 3g1q by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H.
Deposit date:2009-01-30
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3JUS
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BU of 3jus by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole
Descriptor: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
3JUV
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BU of 3juv by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
4EZA
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BU of 4eza by Molmil
Crystal structure of the atypical phosphoinositide (aPI) binding domain of IQGAP2
Descriptor: Ras GTPase-activating-like protein IQGAP2
Authors:Van Aalten, D.M.F, Dixon, M.J, Gray, A, Schenning, M, Agacan, M, Leslie, N.R, Downes, C.P, Batty, I.H, Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-05-02
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:IQGAP Proteins Reveal an Atypical Phosphoinositide (aPI) Binding Domain with a Pseudo C2 Domain Fold.
J.Biol.Chem., 287, 2012
4GF1
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BU of 4gf1 by Molmil
Crystal Structure of Certhrax
Descriptor: Putative ADP-ribosyltransferase Certhrax, UNKNOWN ATOM OR ION
Authors:Hong, B.S, Dimov, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-08-02
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.
J.Biol.Chem., 287, 2012
4FK7
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BU of 4fk7 by Molmil
Crystal structure of Certhrax catalytic domain
Descriptor: CHLORIDE ION, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Putative ADP-ribosyltransferase Certhrax, ...
Authors:Hong, B.S, Dimov, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-12
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.
J.Biol.Chem., 287, 2012
6IFH
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BU of 6ifh by Molmil
Unphosphorylated Spo0F from Paenisporosarcina sp. TG-14
Descriptor: MAGNESIUM ION, Sporulation initiation phosphotransferase F
Authors:Lee, J.H, Lee, C.W.
Deposit date:2018-09-20
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of unphosphorylated Spo0F from Paenisporosarcina sp. TG-14, a psychrophilic bacterium isolated from an Antarctic glacier
Biodesign, 6(4), 2019
6VA3
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BU of 6va3 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC
Descriptor: 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA2
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BU of 6va2 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5
Descriptor: (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA1
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BU of 6va1 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element
Descriptor: RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020

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