3EW7
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![BU of 3ew7 by Molmil](/molmil-images/mine/3ew7) | Crystal structure of the Lmo0794 protein from Listeria monocytogenes. Northeast Structural Genomics Consortium target LmR162. | Descriptor: | Lmo0794 protein | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Wang, D, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-14 | Release date: | 2008-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Crystal structure of the Lmo0794 protein from Listeria monocytogenes. To be Published
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3FGB
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![BU of 3fgb by Molmil](/molmil-images/mine/3fgb) | Crystal structure of the Q89ZH8_BACTN protein from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR289b. | Descriptor: | uncharacterized protein Q89ZH8_BACTN | Authors: | Vorobiev, S.M, Lew, S, Seetharaman, J, Lee, D, Foote, L.E, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-05 | Release date: | 2008-12-23 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the Q89ZH8_BACTN protein from Bacteroides thetaiotaomicron. To be Published
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6T28
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![BU of 6t28 by Molmil](/molmil-images/mine/6t28) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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5TTT
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![BU of 5ttt by Molmil](/molmil-images/mine/5ttt) | Sparse-restraint solution NMR structure of micelle-solubilized cytosolic amino terminal domain of C. elegans mechanosensory ion channel MEC-4 refined by restrained Rosetta | Descriptor: | Degenerin mec-4 | Authors: | Everett, J.K, Liu, G, Mao, B, Driscoll, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2016-11-04 | Release date: | 2017-02-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Sparse-restraint solution NMR structure of micelle-solubilized
cytosolic amino terminal domain of C. elegans mechanosensory ion channel
MEC-4 refined by restrained Rosetta To Be Published
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6T6B
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![BU of 6t6b by Molmil](/molmil-images/mine/6t6b) | Crystal structure of PPARgamma in complex with compound 16 (MF27) | Descriptor: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Ni, X, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-18 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode. J.Med.Chem., 63, 2020
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3FB2
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![BU of 3fb2 by Molmil](/molmil-images/mine/3fb2) | Crystal structure of the human brain alpha spectrin repeats 15 and 16. Northeast Structural Genomics Consortium target HR5563a. | Descriptor: | Spectrin alpha chain, brain spectrin | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-11-18 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the human brain alpha spectrin repeats 15 and 16. To be Published
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1UE1
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![BU of 1ue1 by Molmil](/molmil-images/mine/1ue1) | Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis | Descriptor: | Single-strand binding protein, ZINC ION | Authors: | Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-05-08 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications J.MOL.BIOL., 331, 2003
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1UE7
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![BU of 1ue7 by Molmil](/molmil-images/mine/1ue7) | Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis | Descriptor: | Single-strand binding protein | Authors: | Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-05-09 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications J.MOL.BIOL., 331, 2003
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5TTG
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![BU of 5ttg by Molmil](/molmil-images/mine/5ttg) | Crystal structure of catalytic domain of GLP with MS012 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-11-03 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TVW
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![BU of 5tvw by Molmil](/molmil-images/mine/5tvw) | Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg, hemi-hydrolyzed | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, ... | Authors: | Elnatan, D, Betegon, M, Agard, D.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2016-11-10 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1. Elife, 6, 2017
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5UA1
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![BU of 5ua1 by Molmil](/molmil-images/mine/5ua1) | Mycobacterium tuberculosis KstR in complex with a 18-bp DNA operator | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ... | Authors: | Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2016-12-18 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of KstR in complex with cognate DNA operator To Be Published
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6SYP
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![BU of 6syp by Molmil](/molmil-images/mine/6syp) | Human DHODH bound to inhibitor IPP/CNRS-A017 | Descriptor: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor Eur.J.Med.Chem., 208, 2020
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3FIF
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![BU of 3fif by Molmil](/molmil-images/mine/3fif) | Crystal structure of the ygdR protein from E.coli. Northeast Structural Genomics target ER382A. | Descriptor: | Uncharacterized ligand, Uncharacterized lipoprotein ygdR | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Rossi, P, Chen, C.X, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J.C, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-11 | Release date: | 2009-01-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the ygdR protein from E.coli. Northeast Structural Genomics target ER382A. To be Published
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3FOK
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![BU of 3fok by Molmil](/molmil-images/mine/3fok) | Crystal Structure of Cgl0159 From Corynebacterium glutamicum (Brevibacterium flavum). Northeast Structural Genomics Target CgR115 | Descriptor: | uncharacterized protein Cgl0159 | Authors: | Seetharaman, J, Neely, H, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-30 | Release date: | 2009-01-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Cgl0159 From Corynebacterium glutamicum (Brevibacterium flavum). Northeast Structural Genomics Target CgR115 To be Published
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5U4X
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![BU of 5u4x by Molmil](/molmil-images/mine/5u4x) | Coactivator-associated arginine methyltransferase 1 with TP-064 | Descriptor: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-06 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma. Oncotarget, 9, 2018
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3FIA
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![BU of 3fia by Molmil](/molmil-images/mine/3fia) | Crystal structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e. | Descriptor: | CALCIUM ION, Intersectin-1, SULFATE ION | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Devices, C, Zhao, L, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-11 | Release date: | 2008-12-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of the EH 1 domain from human intersectin-1 protein. To be Published
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6YTD
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![BU of 6ytd by Molmil](/molmil-images/mine/6ytd) | CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTI
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![BU of 6yti by Molmil](/molmil-images/mine/6yti) | CLK1 bound with ETH1610 (Cpd 17) | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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3EXZ
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![BU of 3exz by Molmil](/molmil-images/mine/3exz) | Crystal structure of the MaoC-like dehydratase from Rhodospirillum rubrum. Northeast Structural Genomics Consortium target RrR103a. | Descriptor: | MaoC-like dehydratase | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Wang, H, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-17 | Release date: | 2008-10-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the MaoC-like dehydratase from Rhodospirillum rubrum. To be Published
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6YU1
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![BU of 6yu1 by Molmil](/molmil-images/mine/6yu1) | CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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1U0R
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![BU of 1u0r by Molmil](/molmil-images/mine/1u0r) | Crystal structure of Mycobacterium tuberculosis NAD kinase | Descriptor: | Inorganic polyphosphate/ATP-NAD kinase | Authors: | Garavaglia, S, Raffaelli, N, Finaurini, L, Magni, G, Rizzi, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-07-14 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A novel fold revealed by Mycobacterium tuberculosis NAD kinase, a key allosteric enzyme in NADP biosynthesis J.Biol.Chem., 279, 2004
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3FOJ
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![BU of 3foj by Molmil](/molmil-images/mine/3foj) | Crystal Structure of SSP1007 From Staphylococcus saprophyticus subsp. saprophyticus. Northeast Structural Genomics Target SyR101A. | Descriptor: | SODIUM ION, uncharacterized protein | Authors: | Seetharaman, J, Abashidze, M, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-30 | Release date: | 2009-01-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of SSP1007 From Staphylococcus saprophyticus subsp. saprophyticus. Northeast Structural Genomics Target SyR101A. To be Published
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1U0T
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![BU of 1u0t by Molmil](/molmil-images/mine/1u0t) | Crystal structure of Mycobacterium tuberculosis NAD kinase | Descriptor: | Inorganic polyphosphate/ATP-NAD kinase | Authors: | Garavaglia, S, Raffaelli, N, Finaurini, L, Magni, G, Rizzi, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-07-14 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel fold revealed by Mycobacterium tuberculosis NAD kinase, a key allosteric enzyme in NADP biosynthesis J.Biol.Chem., 279, 2004
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7FHJ
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![BU of 7fhj by Molmil](/molmil-images/mine/7fhj) | Crystal structure of BAZ2A with DNA | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ... | Authors: | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-29 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status. J.Biol.Chem., 297, 2021
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4N6C
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![BU of 4n6c by Molmil](/molmil-images/mine/4n6c) | Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium (NESG) Target SpR36. | Descriptor: | BROMIDE ION, uncharacterized protein | Authors: | Vorobiev, S, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-11 | Release date: | 2013-10-30 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. To be Published
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