3RV7
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![BU of 3rv7 by Molmil](/molmil-images/mine/3rv7) | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group | Descriptor: | 3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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3F2R
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![BU of 3f2r by Molmil](/molmil-images/mine/3f2r) | Crystal structure of human choline kinase alpha in complex with hemicholinium-3 | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), Choline kinase alpha, UNKNOWN ATOM OR ION | Authors: | Hong, B, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-30 | Release date: | 2008-11-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of human choline kinase alpha in complex with hemicholinium-3 To be Published
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3SMT
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![BU of 3smt by Molmil](/molmil-images/mine/3smt) | Crystal structure of human SET domain-containing protein3 | Descriptor: | ACETATE ION, ARSENIC, Histone-lysine N-methyltransferase setd3, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-20 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of human SET domain-containing protein3 To be Published
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3FM8
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![BU of 3fm8 by Molmil](/molmil-images/mine/3fm8) | Crystal structure of full length centaurin alpha-1 bound with the FHA domain of KIF13B (CAPRI target) | Descriptor: | Centaurin-alpha-1, Kinesin-like protein KIF13B, SULFATE ION, ... | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-19 | Release date: | 2009-08-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin alpha1. Proc.Natl.Acad.Sci.USA, 107, 2010
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3RV9
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![BU of 3rv9 by Molmil](/molmil-images/mine/3rv9) | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group | Descriptor: | 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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3FME
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![BU of 3fme by Molmil](/molmil-images/mine/3fme) | Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D) | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, STAUROSPORINE | Authors: | Filippakopoulos, P, Barr, A, Pike, A.C.W, Berridge, G, Elkins, J, Fedorov, O, Keates, T, Savitsky, P, Soundararajan, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-21 | Release date: | 2009-01-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D) To be Published
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3RV8
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![BU of 3rv8 by Molmil](/molmil-images/mine/3rv8) | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Cyclopropyl R-Group | Descriptor: | 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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3CY3
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![BU of 3cy3 by Molmil](/molmil-images/mine/3cy3) | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V | Descriptor: | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ... | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-25 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V. To be Published
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3SMP
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![BU of 3smp by Molmil](/molmil-images/mine/3smp) | Monoclinic crystal structure of human pantothenate kinase 1 alpha | Descriptor: | ACETYL COENZYME *A, ARSENIC, CHLORIDE ION, ... | Authors: | Guan, X, Tempel, W, Hong, B, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Monoclinic crystal structure of human pantothenate kinase 1 alpha to be published
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3S6B
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![BU of 3s6b by Molmil](/molmil-images/mine/3s6b) | Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150 | Descriptor: | FE (III) ION, GLYCEROL, Methionine aminopeptidase | Authors: | Wernimont, A.K, Artz, J.D, Crombet, L, Lew, J, Weadge, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-25 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150 To be Published
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3S91
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![BU of 3s91 by Molmil](/molmil-images/mine/3s91) | Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor 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, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1 To be Published
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2JQO
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![BU of 2jqo by Molmil](/molmil-images/mine/2jqo) | NMR solution structure of Bacillus subtilis YobA 21-120: Northeast Structural Genomics Consortium target SR547 | Descriptor: | Hypothetical protein yobA | Authors: | Cort, J.R, Ramelot, T.A, Chen, C.X, Jang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-06 | Release date: | 2007-07-03 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NMR solution structure of Bacillus subtilis YobA 21-120: Northeast Structural Genomics Consortium target SR547 To be Published
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3ST6
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![BU of 3st6 by Molmil](/molmil-images/mine/3st6) | Structure of a M. tuberculosis Synthase, MbtI, in Complex with an Isochorismate Analogue Inhibitor | Descriptor: | 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-07-08 | Release date: | 2012-05-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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3SVH
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![BU of 3svh by Molmil](/molmil-images/mine/3svh) | Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-07-12 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand To be Published
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3SVF
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![BU of 3svf by Molmil](/molmil-images/mine/3svf) | Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand | Descriptor: | (4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-07-12 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand TO BE PUBLISHED
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2OWA
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![BU of 2owa by Molmil](/molmil-images/mine/2owa) | Crystal structure of putative GTPase activating protein for ADP ribosylation factor from Cryptosporidium parvum (cgd5_1040) | Descriptor: | Arfgap-like finger domain containing protein, ZINC ION | Authors: | Dong, A, Lew, J, Zhao, Y, Hassanali, A, Lin, L, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-15 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of putative GTPase activating protein for ADP ribosylation factor from Cryptosporidium parvum (cgd5_1040) To be Published
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3S4Y
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![BU of 3s4y by Molmil](/molmil-images/mine/3s4y) | Crystal structure of human thiamin pyrophosphokinase 1 | Descriptor: | CALCIUM ION, SULFATE ION, THIAMINE DIPHOSPHATE, ... | Authors: | Shen, L, Tempel, W, Tong, Y, Li, Y, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-20 | Release date: | 2011-06-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human thiamin pyrophosphokinase 1 to be published
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3FKC
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![BU of 3fkc by Molmil](/molmil-images/mine/3fkc) | Crystal Structure of Human Zinc finger and BTB domain containing 33 | Descriptor: | Transcriptional regulator Kaiso | Authors: | Filippakopoulos, P, Bullock, A, Keates, T, Burgess-Brown, N, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-16 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Human Zinc finger and BTB domain containing 33 To be Published
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3FMD
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![BU of 3fmd by Molmil](/molmil-images/mine/3fmd) | Crystal Structure of Human Haspin with an Isoquinoline ligand | Descriptor: | 1,2-ETHANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, NICKEL (II) ION, ... | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-21 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Haspin with an Isoquinoline ligand To be Published
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2JNY
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![BU of 2jny by Molmil](/molmil-images/mine/2jny) | Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1 | Descriptor: | Uncharacterized BCR | Authors: | Wu, Y, Liu, G, Zhang, Q, Chen, C, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M, Swapna, G, Acton, T, Rost, B, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-02-14 | Release date: | 2007-04-24 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1 To be Published
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3Q0J
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![BU of 3q0j by Molmil](/molmil-images/mine/3q0j) | |
3G0L
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![BU of 3g0l by Molmil](/molmil-images/mine/3g0l) | Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Filippakopoulos, P, Keates, T, Salah, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-28 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B) To be Published
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3PZK
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![BU of 3pzk by Molmil](/molmil-images/mine/3pzk) | |
2NSQ
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![BU of 2nsq by Molmil](/molmil-images/mine/2nsq) | Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-06 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein To be Published
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3FXT
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![BU of 3fxt by Molmil](/molmil-images/mine/3fxt) | Crystal structure of the N-terminal domain of human NUDT6 | Descriptor: | GLYCEROL, Nucleoside diphosphate-linked moiety X motif 6 | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-21 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the N-terminal domain of human NUDT6 To be Published
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