6DDY
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![BU of 6ddy by Molmil](/molmil-images/mine/6ddy) | Crystal structure of the double mutant (D52N/K359Q) of NT5C2-537X in the active state, Northeast Structural Genomics Target | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DDX
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![BU of 6ddx by Molmil](/molmil-images/mine/6ddx) | Crystal structure of the double mutant (D52N/L375F) of NT5C2-537X in the active state, Northeast Structural Genomics Target | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6E12
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![BU of 6e12 by Molmil](/molmil-images/mine/6e12) | Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141 | Descriptor: | Alr8543 protein, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Xiao, R, Ciccosanti, C, Patel, D, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-07-09 | Release date: | 2018-07-25 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141 To Be Published
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6E35
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![BU of 6e35 by Molmil](/molmil-images/mine/6e35) | Crystal structure of human indoleamime 2,3-dioxygenase (IDO1) in complex with L-Trp and cyanide, Northeast Structural Genomics Target HR6160 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Lu, C, Hussain, M, Yeh, S.-R, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-07-13 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Crystal structure of human indoleamime 2,3-dioxygenase (IDO1) in complex with L-Trp and cyanide, Northeast Structural Genomics Target HR6160 To Be Published
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3B57
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![BU of 3b57 by Molmil](/molmil-images/mine/3b57) | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65 | Descriptor: | Lin1889 protein, MAGNESIUM ION | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-10-25 | Release date: | 2007-11-06 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. To be Published
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8F5Y
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![BU of 8f5y by Molmil](/molmil-images/mine/8f5y) | Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | Deposit date: | 2022-11-15 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52, 2024
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6UN9
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![BU of 6un9 by Molmil](/molmil-images/mine/6un9) | Crystal Structure of the Q7VLF5_HAEDU protein from Haemophilus ducreyi. Northeast Structural Genomics Consortium Target Hdr25 | Descriptor: | Uncharacterized protein | Authors: | Vorobiev, S.M, Seetharaman, J, Kolev, M, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2019-10-11 | Release date: | 2020-12-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Q7VLF5_HAEDU protein from Haemophilus ducreyi. Northeast Structural Genomics Consortium Target Hdr25 To Be Published
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3BB6
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![BU of 3bb6 by Molmil](/molmil-images/mine/3bb6) | Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural Genomics Consortium target ER596 | Descriptor: | Uncharacterized protein yeaR, ZINC ION | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Janjua, H, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-09 | Release date: | 2007-11-20 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-Ray structure of the P64488 from E.coli (strain K12). To be Published
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3BDR
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![BU of 3bdr by Molmil](/molmil-images/mine/3bdr) | Crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus. Northeast Structural Genomics Consortium target TeR13. | Descriptor: | PHOSPHATE ION, Ycf58 protein | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-15 | Release date: | 2007-11-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus. To be Published
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2Q00
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![BU of 2q00 by Molmil](/molmil-images/mine/2q00) | Crystal structure of the P95883_SULSO protein from Sulfolobus solfataricus. NESG target SsR10. | Descriptor: | Orf c02003 protein | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Owens, L, Ma, L.-C, Cunningham, K, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-05-18 | Release date: | 2007-05-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the P95883_SULSO protein from Sulfolobus solfataricus. To be Published
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8E3N
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![BU of 8e3n by Molmil](/molmil-images/mine/8e3n) | Crystal structure of pregnane X receptor ligand binding domain complexed with rifamycin S | Descriptor: | Nuclear receptor subfamily 1 group I member 2, Rifamycin S | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Chen, T. | Deposit date: | 2022-08-17 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EQZ
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![BU of 8eqz by Molmil](/molmil-images/mine/8eqz) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | Deposit date: | 2022-10-11 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FPE
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![BU of 8fpe by Molmil](/molmil-images/mine/8fpe) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP | Descriptor: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | Deposit date: | 2023-01-04 | Release date: | 2023-03-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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5TI9
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![BU of 5ti9 by Molmil](/molmil-images/mine/5ti9) | Crystal structure of human TDO in complex with Trp and dioxygen, Northeast Structural Genomics Consortium Target HR6161 | Descriptor: | N'-Formylkynurenine, OXYGEN MOLECULE, PHOSPHATE ION, ... | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | Deposit date: | 2016-10-01 | Release date: | 2016-10-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase. Sci Rep, 6, 2016
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5TIA
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![BU of 5tia by Molmil](/molmil-images/mine/5tia) | Crystal structure of human TDO in complex with Trp, Northeast Structural Genomics Consortium Target HR6161 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | Deposit date: | 2016-10-01 | Release date: | 2016-10-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.441 Å) | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase. Sci Rep, 6, 2016
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3BID
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![BU of 3bid by Molmil](/molmil-images/mine/3bid) | Crystal structure of the NMB1088 protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR91 | Descriptor: | UPF0339 protein NMB1088 | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Mao, L, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-30 | Release date: | 2007-12-18 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the NMB1088 protein from Neisseria meningitidis. To be Published
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2DLB
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![BU of 2dlb by Molmil](/molmil-images/mine/2dlb) | X-ray Crystal Structure of Protein yopT from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR412 | Descriptor: | yopT | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Ho, C.-K, Cunningham, K, Janjua, H, Conover, K, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-04-18 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray structure of hypothetical protein from Bacillus subtilis O34498 at the resolution of 1.2A. NESG target SR412 To be published
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7S9F
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![BU of 7s9f by Molmil](/molmil-images/mine/7s9f) | Cryogenic Human Hsp90a-NTD bound to BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9H
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![BU of 7s9h by Molmil](/molmil-images/mine/7s9h) | Cryogenic Human Hsp90a-NTD bound to EC144 | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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4DRT
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![BU of 4drt by Molmil](/molmil-images/mine/4drt) | Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | Descriptor: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | Authors: | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4DMB
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![BU of 4dmb by Molmil](/molmil-images/mine/4dmb) | X-ray structure of human hepatitus C virus NS5A-transactivated protein 2 at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HR6723 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HD domain-containing protein 2, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | Deposit date: | 2012-02-07 | Release date: | 2012-04-04 | Last modified: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Northeast Structural Genomics Consortium Target HR6723 To be Published
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4DLH
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![BU of 4dlh by Molmil](/molmil-images/mine/4dlh) | Crystal Structure of the protein Q9HRE7 from Halobacterium salinarium at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HsR50 | Descriptor: | uncharacterized protein | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-02-06 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Northeast Structural Genomics Consortium Target HsR50 To be Published
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4E0A
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![BU of 4e0a by Molmil](/molmil-images/mine/4e0a) | Crystal Structure of the mutant F44R BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182 | Descriptor: | ACETIC ACID, BH1408 protein, GLYCEROL, ... | Authors: | Kuzin, A, Neely, H, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-03-02 | Release date: | 2012-05-02 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Northeast Structural Genomics Consortium Target BhR182 To be Published
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4E88
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![BU of 4e88 by Molmil](/molmil-images/mine/4e88) | CRYSTAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51 | Descriptor: | DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, GLYCEROL | Authors: | Kuzin, A, Su, M, Seetharaman, J, Xiao, X, Sahdev, S, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-03-19 | Release date: | 2012-04-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Northeast Structural Genomics Consortium Target OR51 To be Published
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4EVW
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![BU of 4evw by Molmil](/molmil-images/mine/4evw) | Crystal Structure of the nucleoside-diphosphate-sugar pyrophosphorylase from Vibrio cholerae RC9. Northeast Structural Genomics Consortium (NESG) Target VcR193. | Descriptor: | MAGNESIUM ION, Nucleoside-diphosphate-sugar pyrophosphorylase | Authors: | Vorobiev, S, Neely, H, Su, M, Seetharaman, J, Mao, M, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-26 | Release date: | 2012-05-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the nucleoside-diphosphate-sugar pyrophosphorylase from Vibrio cholerae RC9. To be Published
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