7B42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b42 by Molmil](/molmil-images/mine/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
|
|
7B40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b40 by Molmil](/molmil-images/mine/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
|
|
4RNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rni by Molmil](/molmil-images/mine/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
|
|
2V2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v2e by Molmil](/molmil-images/mine/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
|
|
2XJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xj8 by Molmil](/molmil-images/mine/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
|
|
2XIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xil by Molmil](/molmil-images/mine/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
|
|
2XJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xj5 by Molmil](/molmil-images/mine/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
|
|
2Y5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y5a by Molmil](/molmil-images/mine/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
|
|
6UL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ul7 by Molmil](/molmil-images/mine/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
|
|
6EFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6efk by Molmil](/molmil-images/mine/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
|
|
8J2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j2d by Molmil](/molmil-images/mine/8j2d) | |
4XMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xmo by Molmil](/molmil-images/mine/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
|
|
6P5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p5s by Molmil](/molmil-images/mine/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
|
|
7EI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ei4 by Molmil](/molmil-images/mine/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
|
|
8CUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cul by Molmil](/molmil-images/mine/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
|
|
8CUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cuo by Molmil](/molmil-images/mine/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
|
|
8CUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cum by Molmil](/molmil-images/mine/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
|
|
8CV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cv7 by Molmil](/molmil-images/mine/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
|
|
7KQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kq3 by Molmil](/molmil-images/mine/7kq3) | |
8J2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j2c by Molmil](/molmil-images/mine/8j2c) | |
8CV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cv4 by Molmil](/molmil-images/mine/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
|
|
6SWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6swz by Molmil](/molmil-images/mine/6swz) | |
8J29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j29 by Molmil](/molmil-images/mine/8j29) | |
8RVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rvc by Molmil](/molmil-images/mine/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
|
|
8RWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rww by Molmil](/molmil-images/mine/8rww) | |