3D91
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![BU of 3d91 by Molmil](/molmil-images/mine/3d91) | Human renin in complex with remikiren | Descriptor: | DIMETHYL SULFOXIDE, Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide, Renin | Authors: | Prade, L, Bezencon, O, Bur, D, Weller, T, Fischli, W, Remen, L. | Deposit date: | 2008-05-26 | Release date: | 2008-06-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human renin in complex with remikiren to be published
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3DDC
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![BU of 3ddc by Molmil](/molmil-images/mine/3ddc) | Crystal Structure of NORE1A in Complex with RAS | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Stieglitz, B, Bee, C, Schwarz, D, Yildiz, O, Moshnikova, A, Khokhlatchev, A, Herrmann, C. | Deposit date: | 2008-06-05 | Release date: | 2008-07-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel type of Ras effector interaction established between tumour suppressor NORE1A and Ras switch II Embo J., 27, 2008
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3DAF
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![BU of 3daf by Molmil](/molmil-images/mine/3daf) | The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII cocrystallized with cyanide | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | Deposit date: | 2008-05-29 | Release date: | 2008-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site. Science, 321, 2008
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8VQ4
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![BU of 8vq4 by Molmil](/molmil-images/mine/8vq4) | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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6HDV
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![BU of 6hdv by Molmil](/molmil-images/mine/6hdv) | |
8VIS
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![BU of 8vis by Molmil](/molmil-images/mine/8vis) | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C. | Deposit date: | 2024-01-05 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide To Be Published
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3DR6
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![BU of 3dr6 by Molmil](/molmil-images/mine/3dr6) | Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, yncA | Authors: | Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-07-10 | Release date: | 2008-09-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Funded by the national institute of
allergy and infectious diseases of nih (contract number
hhsn272200700058c). To be Published
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8VQ3
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![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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1DXH
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![BU of 1dxh by Molmil](/molmil-images/mine/1dxh) | Catabolic ornithine carbamoyltransferase from Pseudomonas aeruginosa | Descriptor: | ORNITHINE CARBAMOYLTRANSFERASE, SULFATE ION | Authors: | Sainz, G, Vicat, J, Kahn, R, Duee, E, Tricot, C, Stalon, V, Dideberg, O. | Deposit date: | 2000-01-05 | Release date: | 2001-01-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Allosteric Active Form of Catabolic Ornithine Carbamoyltransferase from Pseudomonas Aeruginosa To be Published
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3DL4
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![BU of 3dl4 by Molmil](/molmil-images/mine/3dl4) | Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | Descriptor: | Acetylcholinesterase, HEXAETHYLENE GLYCOL | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | Deposit date: | 2008-06-26 | Release date: | 2008-12-02 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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8X5V
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![BU of 8x5v by Molmil](/molmil-images/mine/8x5v) | BlCas9-sgRNA-target DNA complex | Descriptor: | 1,2-ETHANEDIOL, BlCas9, CHLORIDE ION, ... | Authors: | Nakane, T, Nakagawa, R, Yamashita, K, Nishimasu, H, Nureki, O. | Deposit date: | 2023-11-19 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and engineering of Brevibacillus laterosporus Cas9. Commun Biol, 7, 2024
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2VAG
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![BU of 2vag by Molmil](/molmil-images/mine/2vag) | Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | Authors: | Pike, A.C.W, Bullock, A.N, Fedorov, O, Pilka, E.S, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Huber, K, Bracher, F, Knapp, S. | Deposit date: | 2007-08-31 | Release date: | 2007-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing. Chem.Biol, 18, 2011
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6HUE
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![BU of 6hue by Molmil](/molmil-images/mine/6hue) | ParkinS65N | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K. | Deposit date: | 2018-10-07 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Phosphorylation of Parkin at serine 65 is essential for its activation in vivo . Open Biology, 8, 2018
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3DP5
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![BU of 3dp5 by Molmil](/molmil-images/mine/3dp5) | Crystal structure of Geobacter sulfurreducens OmcF with N-terminal Strep-tag II | Descriptor: | Cytochrome c family protein, HEME C, SULFATE ION | Authors: | Lukat, P, Hoffmann, M, Einsle, O. | Deposit date: | 2008-07-07 | Release date: | 2008-09-02 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal packing of the c(6)-type cytochrome OmcF from Geobacter sulfurreducens is mediated by an N-terminal Strep-tag II ACTA CRYSTALLOGR.,SECT.D, 64, 2008
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1VTH
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![BU of 1vth by Molmil](/molmil-images/mine/1vth) | DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURES OF D(TGTACA) COMPLEXED WITH DAUNOMYCIN | Descriptor: | DAUNOMYCIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3') | Authors: | Nunn, C.M, Van Meervelt, L, Zhang, S, Moore, M.H, Kennard, O. | Deposit date: | 1992-03-01 | Release date: | 2011-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | DNA-Drug Interactions: The Crystal Structures of d(TGTACA) and d(TGATCA) Complexed with Daunomycin J.Mol.Biol., 222, 1991
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4EC2
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![BU of 4ec2 by Molmil](/molmil-images/mine/4ec2) | Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, complexed with ferrous | Descriptor: | FE (II) ION, Frataxin homolog, mitochondrial | Authors: | Soderberg, C.A.G, Rajan, S, Gakh, O, Isaya, G, Al-Karadaghi, S. | Deposit date: | 2012-03-26 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | The molecular basis of iron-induced oligomerization of frataxin and the role of the ferroxidation reaction in oligomerization. J.Biol.Chem., 288, 2013
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3DL7
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![BU of 3dl7 by Molmil](/molmil-images/mine/3dl7) | Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | Deposit date: | 2008-06-26 | Release date: | 2008-12-02 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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3DR3
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![BU of 3dr3 by Molmil](/molmil-images/mine/3dr3) | Structure of IDP00107, a potential N-acetyl-gamma-glutamylphosphate reductase from Shigella flexneri | Descriptor: | D-MALATE, N-acetyl-gamma-glutamyl-phosphate reductase, SODIUM ION | Authors: | Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-07-10 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of IDP00107, a potential N-acetyl-gamma-glutamylphosphate reductase from Shigella flexneri To be Published
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3DR8
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![BU of 3dr8 by Molmil](/molmil-images/mine/3dr8) | Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium with its cofactor Acetyl-CoA | Descriptor: | ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ... | Authors: | Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-07-10 | Release date: | 2008-08-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium with its cofactor Acetyl-CoA To be Published
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4ZNB
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![BU of 4znb by Molmil](/molmil-images/mine/4znb) | METALLO-BETA-LACTAMASE (C181S MUTANT) | Descriptor: | METALLO-BETA-LACTAMASE, SODIUM ION, ZINC ION | Authors: | Li, Z, Herzberg, O. | Deposit date: | 1998-10-20 | Release date: | 1999-06-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural consequences of the active site substitution Cys181 --> Ser in metallo-beta-lactamase from Bacteroides fragilis. Protein Sci., 8, 1999
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8Y4Z
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![BU of 8y4z by Molmil](/molmil-images/mine/8y4z) | Monomeric HERC5 HECT c-lobe structure in solution | Descriptor: | E3 ISG15--protein ligase HERC5 | Authors: | Dag, C, Lambert, M, Kahraman, K, Lohn, F, Lee, W, Gocenler, O, Guntert, P, Dotsch, V. | Deposit date: | 2024-01-31 | Release date: | 2024-02-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Monomeric HERC5 HECT c-lobe structure in solution To Be Published
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3DBV
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![BU of 3dbv by Molmil](/molmil-images/mine/3dbv) | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH LEU 33 REPLACED BY THR, THR 34 REPLACED BY GLY, ASP 36 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NAD+ | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A. | Deposit date: | 1997-01-06 | Release date: | 1997-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+. J.Mol.Biol., 268, 1997
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3E4F
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![BU of 3e4f by Molmil](/molmil-images/mine/3e4f) | Crystal structure of BA2930- a putative aminoglycoside N3-acetyltransferase from Bacillus anthracis | Descriptor: | Aminoglycoside N3-acetyltransferase, CITRIC ACID | Authors: | Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-08-11 | Release date: | 2008-08-19 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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3EEF
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![BU of 3eef by Molmil](/molmil-images/mine/3eef) | Crystal structure of N-carbamoylsarcosine amidase from thermoplasma acidophilum | Descriptor: | N-carbamoylsarcosine amidase related protein, ZINC ION | Authors: | Luo, H.-B, Zheng, H, Chruszcz, M, Zimmerman, M.D, Skarina, T, Egorova, O, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-09-04 | Release date: | 2008-09-16 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure and molecular modeling study of N-carbamoylsarcosine amidase Ta0454 from Thermoplasma acidophilum. J.Struct.Biol., 169, 2010
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3EB0
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![BU of 3eb0 by Molmil](/molmil-images/mine/3eb0) | Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804 | Descriptor: | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, GLYCEROL, Putative uncharacterized protein | Authors: | Wernimont, A.K, Fedorov, O, Lam, A, Ali, A, Zhao, Y, Lew, J, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-08-26 | Release date: | 2008-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804 TO BE PUBLISHED
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