6P25
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![BU of 6p25 by Molmil](/molmil-images/mine/6p25) | Structure of S. cerevisiae protein O-mannosyltransferase Pmt1-Pmt2 complex bound to the sugar donor and a peptide acceptor | Descriptor: | (3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bai, L, Li, H. | Deposit date: | 2019-05-21 | Release date: | 2019-07-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex. Nat.Struct.Mol.Biol., 26, 2019
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6PP2
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![BU of 6pp2 by Molmil](/molmil-images/mine/6pp2) | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-((4-(2-Amino-4-methylquinolin-7-yl)-2-(aminomethyl)phenoxy)methyl)benzonitrile | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2019-07-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6POW
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![BU of 6pow by Molmil](/molmil-images/mine/6pow) | Structure of human endotheial nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2019-07-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6POZ
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![BU of 6poz by Molmil](/molmil-images/mine/6poz) | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-isopropoxyphenyl)-4-methylquinolin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2019-07-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6POX
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![BU of 6pox by Molmil](/molmil-images/mine/6pox) | Structure of human endothelialnitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2019-07-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6POV
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![BU of 6pov by Molmil](/molmil-images/mine/6pov) | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2019-07-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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5EGM
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![BU of 5egm by Molmil](/molmil-images/mine/5egm) | Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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6POY
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![BU of 6poy by Molmil](/molmil-images/mine/6poy) | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2019-07-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6PTJ
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![BU of 6ptj by Molmil](/molmil-images/mine/6ptj) | Structure of Ctf4 trimer in complex with one CMG helicase | Descriptor: | Cell division control protein 45, DNA polymerase alpha-binding protein, DNA replication complex GINS protein PSF1, ... | Authors: | Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H. | Deposit date: | 2019-07-15 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ctf4 organizes sister replisomes and Pol alpha into a replication factory. Elife, 8, 2019
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1PKJ
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![BU of 1pkj by Molmil](/molmil-images/mine/1pkj) | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | Descriptor: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase, DEOXYURIDINE-5'-TRIPHOSPHATE | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | Deposit date: | 2003-06-05 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii J.Mol.Biol., 331, 2003
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1ZBY
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![BU of 1zby by Molmil](/molmil-images/mine/1zby) | High-Resolution Crystal Structure of Native (Resting) Cytochrome c Peroxidase (CcP) | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bonagura, C.A, Bhaskar, B, Shimizu, H, Li, H, Sundaramoorthy, M, McRee, D.E, Goodin, D.B, Poulos, T.L. | Deposit date: | 2005-04-09 | Release date: | 2005-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase Biochemistry, 42, 2003
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2YTS
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![BU of 2yts by Molmil](/molmil-images/mine/2yts) | Solution structure of the C2H2 type zinc finger (region 715-747) of human Zinc finger protein 484 | Descriptor: | ZINC ION, Zinc finger protein 484 | Authors: | Tochio, N, Tomizawa, T, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the C2H2 type zinc finger (region 715-747) of human Zinc finger protein 484 To be Published
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2YTO
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![BU of 2yto by Molmil](/molmil-images/mine/2yto) | Solution structure of the C2H2 type zinc finger (region 659-691) of human Zinc finger protein 484 | Descriptor: | ZINC ION, Zinc finger protein 484 | Authors: | Tochio, N, Tomizawa, T, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the C2H2 type zinc finger (region 659-691) of human Zinc finger protein 484 To be Published
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2YTG
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![BU of 2ytg by Molmil](/molmil-images/mine/2ytg) | Solution structure of the C2H2 type zinc finger (region 369-401) of human Zinc finger protein 95 homolog | Descriptor: | ZINC ION, Zinc finger protein 95 homolog | Authors: | Tomizawa, T, Tochio, N, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the C2H2 type zinc finger (region 369-401) of human Zinc finger protein 95 homolog To be Published
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2YTP
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![BU of 2ytp by Molmil](/molmil-images/mine/2ytp) | Solution structure of the C2H2 type zinc finger (region 687-719) of human Zinc finger protein 484 | Descriptor: | ZINC ION, Zinc finger protein 484 | Authors: | Tochio, N, Tomizawa, T, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the C2H2 type zinc finger (region 687-719) of human Zinc finger protein 484 To be Published
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1CHZ
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![BU of 1chz by Molmil](/molmil-images/mine/1chz) | A NEW NEUROTOXIN FROM BUTHUS MARTENSII KARSCH | Descriptor: | CHLORIDE ION, PROTEIN (BMK M2) | Authors: | He, X.L, Deng, J.P, Li, H.M, Wang, D.C. | Deposit date: | 1999-03-31 | Release date: | 2000-03-31 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure of a new neurotoxin from the scorpion Buthus martensii Karsch at 1.76 A. Acta Crystallogr.,Sect.D, 56, 2000
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2PVX
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![BU of 2pvx by Molmil](/molmil-images/mine/2pvx) | NMR and X-ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin | Descriptor: | Rubredoxin, ZINC ION | Authors: | Wang, L, LeMaster, D.M, Hernandez, G, Li, H. | Deposit date: | 2007-05-10 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | NMR and X-ray analysis of structural additivity in metal binding site-swapped hybrids of rubredoxin Bmc Struct.Biol., 7, 2007
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1ZBZ
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![BU of 1zbz by Molmil](/molmil-images/mine/1zbz) | High-Resolution Crystal Structure of Compound I intermediate of Cytochrome c Peroxidase (CcP) | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bonagura, C.A, Bhaskar, B, Shimizu, H, Li, H, Sundaramoorthy, M, McRee, D.E, Goodin, D.B, Poulos, T.L. | Deposit date: | 2005-04-09 | Release date: | 2005-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase Biochemistry, 42, 2003
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3B3P
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![BU of 3b3p by Molmil](/molmil-images/mine/3b3p) | Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. J.Med.Chem., 52, 2009
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3F73
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![BU of 3f73 by Molmil](/molmil-images/mine/3f73) | Alignment of guide-target seed duplex within an argonaute silencing complex | Descriptor: | ARGONAUTE, DNA (5'-D(P*DTP*DGP*DAP*DGP*DGP*DTP*DAP*DGP*DTP*DAP*DGP*DGP*DTP*DTP*DGP*DTP*DA*DTP*DAP*DGP*DT)-3'), MAGNESIUM ION, ... | Authors: | Wang, Y, Li, H, Sheng, G, Juranek, S, Tuschl, T, Patel, D.J. | Deposit date: | 2008-11-07 | Release date: | 2008-12-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of an argonaute silencing complex with a seed-containing guide DNA and target RNA duplex. Nature, 456, 2008
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1S6V
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![BU of 1s6v by Molmil](/molmil-images/mine/1s6v) | Structure of a cytochrome c peroxidase-cytochrome c site specific cross-link | Descriptor: | Cytochrome c peroxidase, mitochondrial, Cytochrome c, ... | Authors: | Guo, M, Bhaskar, B, Li, H, Barrows, T.P, Poulos, T.L. | Deposit date: | 2004-01-27 | Release date: | 2004-04-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure and characterization of a cytochrome c peroxidase-cytochrome c site-specific cross-link Proc.Natl.Acad.Sci.USA, 101, 2004
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2RE1
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![BU of 2re1 by Molmil](/molmil-images/mine/2re1) | Crystal structure of aspartokinase alpha and beta subunits | Descriptor: | Aspartokinase, alpha and beta subunits, CALCIUM ION | Authors: | Chang, C, Li, H, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-09-25 | Release date: | 2007-10-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of aspartokinase alpha and beta subunits. To be Published
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5XVG
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![BU of 5xvg by Molmil](/molmil-images/mine/5xvg) | Crystal Structure of PAK4 in complex with inhibitor CZH226 | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | Authors: | Zhao, F, Li, H. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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6LR3
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![BU of 6lr3 by Molmil](/molmil-images/mine/6lr3) | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | Deposit date: | 2020-01-15 | Release date: | 2020-07-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum. Biochem.J., 477, 2020
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6LKW
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![BU of 6lkw by Molmil](/molmil-images/mine/6lkw) | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | Descriptor: | CHLORIDE ION, Macrophage migration inhibitory factor | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum. Biochem.J., 477, 2020
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