6CZ5
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![BU of 6cz5 by Molmil](/molmil-images/mine/6cz5) | Crystal structure of small molecule AMP-acrylamide covalently bound to DDX3 S228C | Descriptor: | 5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine, ATP-dependent RNA helicase DDX3X | Authors: | Barkovich, K.J, Moore, M.K, Hu, Q, Shokat, K.M. | Deposit date: | 2018-04-08 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chemical genetic inhibition of DEAD-box proteins using covalent complementarity. Nucleic Acids Res., 46, 2018
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5M5B
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![BU of 5m5b by Molmil](/molmil-images/mine/5m5b) | Crystal structure of Zika virus NS5 methyltransferase | Descriptor: | CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ... | Authors: | Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J. | Deposit date: | 2016-10-21 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives. J. Virol., 91, 2017
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4U81
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![BU of 4u81 by Molmil](/molmil-images/mine/4u81) | MEK1 Kinase bound to small molecule inhibitor G659 | Descriptor: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Weismann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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4U7Z
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![BU of 4u7z by Molmil](/molmil-images/mine/4u7z) | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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6IAK
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![BU of 6iak by Molmil](/molmil-images/mine/6iak) | The crystal structure of the chicken CREB3 bZIP | Descriptor: | Uncharacterized protein | Authors: | Sabaratnam, K, Renner, M. | Deposit date: | 2018-11-26 | Release date: | 2019-12-11 | Last modified: | 2020-06-24 | Method: | X-RAY DIFFRACTION (3.95 Å) | Cite: | Insights from the crystal structure of the chicken CREB3 bZIP suggest that members of the CREB3 subfamily transcription factors may be activated in response to oxidative stress. Protein Sci., 28, 2019
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1VIB
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![BU of 1vib by Molmil](/molmil-images/mine/1vib) | NMR SOLUTION STRUCTURE OF THE NEUROTOXIN B-IV, 20 STRUCTURES | Descriptor: | NEUROTOXIN B-IV | Authors: | Barnham, K.J, Dyke, T.R, Kem, W.R, Norton, R.S. | Deposit date: | 1996-11-25 | Release date: | 1997-05-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Structure of neurotoxin B-IV from the marine worm Cerebratulus lacteus: a helical hairpin cross-linked by disulphide bonding. J.Mol.Biol., 268, 1997
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4KYD
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![BU of 4kyd by Molmil](/molmil-images/mine/4kyd) | Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Maltose-binding periplasmic protein, Phosphoprotein, ... | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | Deposit date: | 2013-05-28 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Protein domain definition should allow for conditional disorder. Protein Sci., 22, 2013
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4CM1
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![BU of 4cm1 by Molmil](/molmil-images/mine/4cm1) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CMI
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![BU of 4cmi by Molmil](/molmil-images/mine/4cmi) | |
4CM3
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![BU of 4cm3 by Molmil](/molmil-images/mine/4cm3) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CMG
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![BU of 4cmg by Molmil](/molmil-images/mine/4cmg) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLR
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![BU of 4clr by Molmil](/molmil-images/mine/4clr) | |
4CMC
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![BU of 4cmc by Molmil](/molmil-images/mine/4cmc) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CM9
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![BU of 4cm9 by Molmil](/molmil-images/mine/4cm9) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CME
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![BU of 4cme by Molmil](/molmil-images/mine/4cme) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-16 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLD
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![BU of 4cld by Molmil](/molmil-images/mine/4cld) | |
4CMJ
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![BU of 4cmj by Molmil](/molmil-images/mine/4cmj) | |
4CLH
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![BU of 4clh by Molmil](/molmil-images/mine/4clh) | |
4CM8
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![BU of 4cm8 by Molmil](/molmil-images/mine/4cm8) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLE
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![BU of 4cle by Molmil](/molmil-images/mine/4cle) | |
4CM7
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![BU of 4cm7 by Molmil](/molmil-images/mine/4cm7) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CM4
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![BU of 4cm4 by Molmil](/molmil-images/mine/4cm4) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, GLYCEROL, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLX
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![BU of 4clx by Molmil](/molmil-images/mine/4clx) | |
4CL8
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![BU of 4cl8 by Molmil](/molmil-images/mine/4cl8) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-13 | Release date: | 2015-01-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CLO
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![BU of 4clo by Molmil](/molmil-images/mine/4clo) | |