7B42
 
 | | Crystal structure of c-MET bound by compound 8 | | Descriptor: | 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B40
 | | Crystal structure of c-MET bound by compound 6 | | Descriptor: | 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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4RNI
 | | PaMorA dimeric phosphodiesterase. apo form | | Descriptor: | Motility regulator | | Authors: | Phippen, C.W, Tews, I. | | Deposit date: | 2014-10-24 | | Release date: | 2014-11-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Formation and dimerization of the phosphodiesterase active site of the Pseudomonas aeruginosa MorA, a bi-functional c-di-GMP regulator.
Febs Lett., 588, 2014
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2V2E
 | | Structure of isoniazid (INH) bound to cytochrome c peroxidase mutant N184R Y36A | | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2007-06-05 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
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2XJ8
 | | The structure of ferrous cytochrome c peroxidase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2010-07-02 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Nature of the ferryl heme in compounds I and II.
J. Biol. Chem., 286, 2011
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2XIL
 | | The structure of cytochrome c peroxidase Compound I | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2010-06-30 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Nature of the ferryl heme in compounds I and II.
J. Biol. Chem., 286, 2011
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2XJ5
 | | The structure of cytochrome c peroxidase Compound II | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2010-07-02 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Nature of the ferryl heme in compounds I and II.
J. Biol. Chem., 286, 2011
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2Y5A
 | | Cytochrome c peroxidase (CCP) W191G bound to 3-aminopyridine | | Descriptor: | 3-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | | Authors: | Cappel, D, Wahlstrom, R, Brenk, R, Sotriffer, C.A. | | Deposit date: | 2011-01-12 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site.
J.Chem.Inf.Model, 51, 2011
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6UL7
 | | Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole | | Descriptor: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Ketohexokinase, NITRATE ION, ... | | Authors: | Gasper, W.C, Gardner, S, Allen, K.N, Tolan, D.R. | | Deposit date: | 2019-10-07 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
To be Published
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6EFK
 | | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide | | Descriptor: | ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION | | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | | Deposit date: | 2018-08-16 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
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8J2D
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4XMO
 | | Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | | Descriptor: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline, Hepatocyte growth factor receptor | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2015-01-14 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors.
J.Med.Chem., 58, 2015
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6P5S
 | | HIPK2 kinase domain bound to CX-4945 | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | | Authors: | Agnew, C, Liu, L, Jura, N. | | Deposit date: | 2019-05-30 | | Release date: | 2019-07-31 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
J.Biol.Chem., 294, 2019
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7EI4
 | | Crystal structure of MasL in complex with a novel covalent inhibitor, collimonin C | | Descriptor: | (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase | | Authors: | Lin, C.C, Huang, K.F, Yang, Y.L. | | Deposit date: | 2021-03-30 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
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8CUL
 | | Xray ray crystal structure of OXA-24/40 in complex with CR167 | | Descriptor: | 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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8CUO
 | | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e | | Descriptor: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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8CUM
 | | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d | | Descriptor: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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8CV7
 | | Peptide 2.2E in complex with BRD2-BD2 | | Descriptor: | ACETYL GROUP, AMINO GROUP, Isoform 3 of Bromodomain-containing protein 2, ... | | Authors: | Franck, C, Mackay, J.P. | | Deposit date: | 2022-05-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
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7KQ3
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8J2C
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8CV4
 | | Peptide 4.2C in complex with BRD4.2 | | Descriptor: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | | Authors: | Franck, C, Mackay, J.P. | | Deposit date: | 2022-05-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
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6SWZ
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8J29
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8RVC
 | | Crystal structure of alpha keto acid C-methyl-transferases MrsA bound to ketoarginine | | Descriptor: | 1,2-ETHANEDIOL, 2-ketoarginine methyltransferase, 5-[(diaminomethylidene)amino]-2-oxopentanoic acid, ... | | Authors: | Gerhardt, S, Kemper, F, Andexer, J.N. | | Deposit date: | 2024-02-01 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Structures and protein engineering of the alpha-keto acid C-methyltransferases SgvM and MrsA for rational substrate transfer.
Chembiochem, 2024
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8RWW
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