7B7J
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4S3L
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4YNE
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![BU of 4yne by Molmil](/molmil-images/mine/4yne) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0229 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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4YMJ
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![BU of 4ymj by Molmil](/molmil-images/mine/4ymj) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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7OAE
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![BU of 7oae by Molmil](/molmil-images/mine/7oae) | Cryo-EM structure of the plectasin fibril (double strands) | Descriptor: | Fungal defensin plectasin | Authors: | Effantin, G. | Deposit date: | 2021-04-19 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils. Nat Commun, 13, 2022
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7OAG
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![BU of 7oag by Molmil](/molmil-images/mine/7oag) | Cryo-EM structure of the plectasin fibril (single strand) | Descriptor: | Fungal defensin plectasin | Authors: | Effantin, G. | Deposit date: | 2021-04-19 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils. Nat Commun, 13, 2022
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7O76
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6CWA
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7PCD
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![BU of 7pcd by Molmil](/molmil-images/mine/7pcd) | HER2 IN COMPLEX WITH A COVALENT INHIBITOR | Descriptor: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2 | Authors: | Bader, G. | Deposit date: | 2021-08-03 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling. Nat Cancer, 3, 2022
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6Y1Z
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![BU of 6y1z by Molmil](/molmil-images/mine/6y1z) | Mouse serotonin 5HT3 receptor in complex with palonosetron | Descriptor: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zarkadas, E, Perot, J, Nury, H. | Deposit date: | 2020-02-14 | Release date: | 2020-03-04 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | The Binding of Palonosetron and Other Antiemetic Drugs to the Serotonin 5-HT3 Receptor. Structure, 28, 2020
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5X0O
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5X0N
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5Y9S
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![BU of 5y9s by Molmil](/molmil-images/mine/5y9s) | Crystal structure of VV2_1132, a LysR family transcriptional regulator | Descriptor: | BROMIDE ION, VV2_1132 | Authors: | Jang, Y, Hong, S, Jo, I, Ahn, J, Ha, N.C. | Deposit date: | 2017-08-28 | Release date: | 2018-03-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | A Novel Tetrameric Assembly Configuration in VV2_1132, a LysR-Type Transcriptional Regulator inVibrio vulnificus Mol. Cells, 41, 2018
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5MKC
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![BU of 5mkc by Molmil](/molmil-images/mine/5mkc) | Crystal structure of the RrgA Jo.In complex | Descriptor: | CALCIUM ION, Cell wall surface anchor family protein (Jo),Cell wall surface anchor family protein (In), NICKEL (II) ION, ... | Authors: | Bonnet, J, Cartannaz, J, Tourcier, G, Contreras-Martel, C, Kleman, J.P, Fenel, D, Schoehn, G, Morlot, C, Vernet, T, Di Guilmi, A.M. | Deposit date: | 2016-12-03 | Release date: | 2017-03-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Autocatalytic association of proteins by covalent bond formation: a Bio Molecular Welding toolbox derived from a bacterial adhesin. Sci Rep, 7, 2017
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5LYE
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5FHK
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![BU of 5fhk by Molmil](/molmil-images/mine/5fhk) | Regulatory domain of AphB in Vibrio vulnificus | Descriptor: | LysR family transcriptional regulator | Authors: | Song, S, Ha, N.-C. | Deposit date: | 2015-12-22 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Crystal Structure of the Regulatory Domain of AphB from Vibrio vulnificus, a Virulence Gene Regulator Mol. Cells, 40, 2017
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4WG0
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6RJ3
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![BU of 6rj3 by Molmil](/molmil-images/mine/6rj3) | Crystal structure of PHGDH in complex with compound 15 | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RJ5
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![BU of 6rj5 by Molmil](/molmil-images/mine/6rj5) | Crystal structure of PHGDH in complex with compound 39 | Descriptor: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RIH
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![BU of 6rih by Molmil](/molmil-images/mine/6rih) | Crystal structure of PHGDH in complex with compound 9 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-24 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RJ2
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![BU of 6rj2 by Molmil](/molmil-images/mine/6rj2) | Crystal structure of PHGDH in complex with compound 40 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RJ6
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![BU of 6rj6 by Molmil](/molmil-images/mine/6rj6) | Crystal structure of PHGDH in complex with BI-4924 | Descriptor: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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4Y4Q
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6LVV
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![BU of 6lvv by Molmil](/molmil-images/mine/6lvv) | N, N-dimethylformamidase | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, N,N-dimethylformamidase large subunit, ... | Authors: | Arya, C.K, Ramaswamy, S, Kutti, R.V, Gurunath, R. | Deposit date: | 2020-02-05 | Release date: | 2020-08-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase. Angew.Chem.Int.Ed.Engl., 59, 2020
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8ATD
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![BU of 8atd by Molmil](/molmil-images/mine/8atd) | Wild type hexamer oxalyl-CoA synthetase (OCS) | Descriptor: | Oxalate--CoA ligase | Authors: | Lill, P, Burgi, J, Raunser, S, Wilmanns, M, Gatsogiannis, C. | Deposit date: | 2022-08-23 | Release date: | 2023-02-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Asymmetric horseshoe-like assembly of peroxisomal yeast oxalyl-CoA synthetase. Biol.Chem., 404, 2023
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