2G7P
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![BU of 2g7p by Molmil](/molmil-images/mine/2g7p) | Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors | Descriptor: | Botulinum neurotoxin type A, ZINC ION | Authors: | Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P. | Deposit date: | 2006-02-28 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate. Biochemistry, 45, 2006
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2G7K
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![BU of 2g7k by Molmil](/molmil-images/mine/2g7k) | Structure of the Light Chain of Botulinum Neurotoxin, Serotype A Bound to small Molecule Inhibitors | Descriptor: | Botulinum neurotoxin type A | Authors: | Fu, Z, Baldwin, M.R, Boldt, G.E, Crawford, A, Janda, K.D, Barbieri, J.T, Kim, J.-J.P. | Deposit date: | 2006-02-28 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate. Biochemistry, 45, 2006
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2G7Q
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![BU of 2g7q by Molmil](/molmil-images/mine/2g7q) | Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors | Descriptor: | Botulinum neurotoxin type A, N-HYDROXY-L-ARGININAMIDE, ZINC ION | Authors: | Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P. | Deposit date: | 2006-02-28 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate. Biochemistry, 45, 2006
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2GMJ
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![BU of 2gmj by Molmil](/molmil-images/mine/2gmj) | Structure of Porcine Electron Transfer Flavoprotein-Ubiquinone Oxidoreductase | Descriptor: | Electron transfer flavoprotein-ubiquinone oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Zhang, J, Frerman, F.E, Kim, J.-J.P. | Deposit date: | 2006-04-06 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of electron transfer flavoprotein-ubiquinone oxidoreductase and electron transfer to the mitochondrial ubiquinone pool. Proc.Natl.Acad.Sci.Usa, 103, 2006
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6FER
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![BU of 6fer by Molmil](/molmil-images/mine/6fer) | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | Descriptor: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FIN
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![BU of 6fin by Molmil](/molmil-images/mine/6fin) | DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8% | Descriptor: | 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FIQ
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![BU of 6fiq by Molmil](/molmil-images/mine/6fiq) | DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8% | Descriptor: | 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FEW
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![BU of 6few by Molmil](/molmil-images/mine/6few) | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1% | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FIO
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![BU of 6fio by Molmil](/molmil-images/mine/6fio) | DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7% | Descriptor: | 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FIL
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![BU of 6fil by Molmil](/molmil-images/mine/6fil) | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5% | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6FEX
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![BU of 6fex by Molmil](/molmil-images/mine/6fex) | DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4% | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ... | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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6PZV
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![BU of 6pzv by Molmil](/molmil-images/mine/6pzv) | |
7LV3
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![BU of 7lv3 by Molmil](/molmil-images/mine/7lv3) | Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state | Descriptor: | 1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ... | Authors: | Sharma, R, Lying, Q, Casteel, D, Kim, C. | Deposit date: | 2021-02-23 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | An auto-inhibited state of protein kinase G and implications for selective activation. Elife, 11, 2022
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2RLB
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![BU of 2rlb by Molmil](/molmil-images/mine/2rlb) | Crystal Structure cation-dependent mannose 6-phosphate receptor at pH 6.5 bound to M6P in absence of Mn | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-beta-D-mannopyranose, Cation-dependent mannose-6-phosphate receptor | Authors: | Olson, L.J, Hindsgaul, O, Dahms, N.M, Kim, J.-J.P. | Deposit date: | 2007-10-18 | Release date: | 2008-02-12 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into the Mechanism of pH-dependent Ligand Binding and Release by the Cation-dependent Mannose 6-Phosphate Receptor. J.Biol.Chem., 283, 2008
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2RL8
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![BU of 2rl8 by Molmil](/molmil-images/mine/2rl8) | Crystal Structure cation-dependent mannose 6-phosphate receptor at pH 6.5 bound to M6P | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-beta-D-mannopyranose, Cation-dependent mannose-6-phosphate receptor, ... | Authors: | Olson, L.J, Hindsgaul, O, Kim, J.-J.P, Dahms, N.M. | Deposit date: | 2007-10-18 | Release date: | 2008-02-12 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Insights into the Mechanism of pH-dependent Ligand Binding and Release by the Cation-dependent Mannose 6-Phosphate Receptor. J.Biol.Chem., 283, 2008
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1F20
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![BU of 1f20 by Molmil](/molmil-images/mine/1f20) | CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE FAD/NADP+ DOMAIN AT 1.9A RESOLUTION. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLYCEROL, ... | Authors: | Zhang, J, Martasek, P, Masters, B.S, Kim, J.P. | Deposit date: | 2000-05-22 | Release date: | 2001-10-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the FAD/NADPH-binding domain of rat neuronal nitric-oxide synthase. Comparisons with NADPH-cytochrome P450 oxidoreductase. J.Biol.Chem., 276, 2001
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2YT4
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![BU of 2yt4 by Molmil](/molmil-images/mine/2yt4) | |
1EGD
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![BU of 1egd by Molmil](/molmil-images/mine/1egd) | STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MEDIUM CHAIN ACYL-COA DEHYDROGENASE | Authors: | Lee, H.J, Wang, M, Paschke, R, Nandy, A, Ghisla, S, Kim, J.P. | Deposit date: | 1996-04-11 | Release date: | 1997-06-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the wild type and the Glu376Gly/Thr255Glu mutant of human medium-chain acyl-CoA dehydrogenase: influence of the location of the catalytic base on substrate specificity. Biochemistry, 35, 1996
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1EGC
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![BU of 1egc by Molmil](/molmil-images/mine/1egc) | STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE COMPLEXED WITH OCTANOYL-COA | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MEDIUM CHAIN ACYL-COA DEHYDROGENASE, OCTANOYL-COENZYME A | Authors: | Lee, H.J, Wang, M, Paschke, R, Nandy, A, Ghisla, S, Kim, J.P. | Deposit date: | 1996-04-11 | Release date: | 1997-11-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of the wild type and the Glu376Gly/Thr255Glu mutant of human medium-chain acyl-CoA dehydrogenase: influence of the location of the catalytic base on substrate specificity. Biochemistry, 35, 1996
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6VTX
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![BU of 6vtx by Molmil](/molmil-images/mine/6vtx) | Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ... | Authors: | Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C. | Deposit date: | 2020-02-13 | Release date: | 2021-09-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization. Nat Commun, 12, 2021
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5E16
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![BU of 5e16 by Molmil](/molmil-images/mine/5e16) | Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP | Descriptor: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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5DYK
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![BU of 5dyk by Molmil](/molmil-images/mine/5dyk) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form | Descriptor: | 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ... | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-24 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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5DZC
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![BU of 5dzc by Molmil](/molmil-images/mine/5dzc) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound | Descriptor: | CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ... | Authors: | Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-25 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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5DYL
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![BU of 5dyl by Molmil](/molmil-images/mine/5dyl) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form | Descriptor: | cGMP-dependent protein kinase, putative | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-24 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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3HN1
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![BU of 3hn1 by Molmil](/molmil-images/mine/3hn1) | Crystal structure of HCR/T complexed with GT2 and lactose | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, SULFATE ION, Tetanus toxin, ... | Authors: | Chen, C, Fu, Z, Kim, J.-J.P, Barbieri, J.T, Baldwin, M.R. | Deposit date: | 2009-05-29 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Gangliosides as high affinity receptors for tetanus neurotoxin. J.Biol.Chem., 284, 2009
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