2F9W
 
 | | Structure of the type III CoaA from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PANTOTHENOIC ACID, ... | | Authors: | Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S. | | Deposit date: | 2005-12-06 | | Release date: | 2006-08-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties.
Structure, 14, 2006
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6HE5
 | | 20S core particle of PAN-proteasomes | | Descriptor: | Proteasome subunit alpha, Proteasome subunit beta, Proteasome-activating nucleotidase | | Authors: | Majumder, P, Rudack, T, Beck, F, Baumeister, W. | | Deposit date: | 2018-08-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.12 Å) | | Cite: | Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7UP2
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP1
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOX
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP3
 | | NDM1-inhibitor co-structure | | Descriptor: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOY
 | | NDM1-inhibitor co-structure | | Descriptor: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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3ET3
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6HE4
 | | AAA-ATPase ring of PAN-proteasomes | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Majumder, P, Rudack, T, Beck, F, Baumeister, W. | | Deposit date: | 2018-08-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.85 Å) | | Cite: | Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6ADI
 | | Crystal Structures of IDH2 R140Q in complex with AG-881 | | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP], mitochondrial, ... | | Authors: | Ma, R, Yun, C.H. | | Deposit date: | 2018-08-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2
Biochem. Biophys. Res. Commun., 503, 2018
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6GQQ
 | | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
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6X5N
 | | Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6 | | Descriptor: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | | Authors: | Swain, M, Li, M, Woldawer, A, LeGrice, S.F.J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands.
Nucleic Acids Res., 49, 2021
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6X5M
 | | Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6. | | Descriptor: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | | Authors: | Swain, M, Li, M, Wlodawer, A, Le Grice, S.F.J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands.
Nucleic Acids Res., 49, 2021
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7YJ0
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2YIL
 | | Crystal Structure of Parasite Sarcocystis muris Lectin SML-2 | | Descriptor: | CHLORIDE ION, GLYCEROL, MICRONEME ANTIGEN L2, ... | | Authors: | Mueller, J.J, Weiss, M.S, Heinemann, U. | | Deposit date: | 2011-05-16 | | Release date: | 2011-11-02 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose.
Acta Crystallogr.,Sect.D, D67, 2011
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2YIP
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2YIO
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4KV5
 | | scFv GC1009 in complex with TGF-beta1. | | Descriptor: | Single-chain variable fragment GC1009, Transforming growth factor beta-1 proprotein | | Authors: | Wei, R, Moulin, A.G, Mathieu, M. | | Deposit date: | 2013-05-22 | | Release date: | 2014-09-24 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions.
Protein Sci., 23, 2014
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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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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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8V4U
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8TFQ
 | | Fab from C10-S66K antibody in complex with fentanyl | | Descriptor: | Heavy chain from Fab of C10_S66K antibody, Light chain from Fab of C10_S66K antibody, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Pholcharee, T, Wilson, I.A. | | Deposit date: | 2023-07-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
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7UYA
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYD
 | | Inhibitor bound VIM1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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4KSP
 | | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 | | Descriptor: | N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Yano, J.K, Masanori, O. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
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