6NSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nsv by Molmil](/molmil-images/mine/6nsv) | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide | Descriptor: | ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ... | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | Deposit date: | 2019-01-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases. Nat.Chem.Biol., 15, 2019
|
|
6SUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sud by Molmil](/molmil-images/mine/6sud) | Structure of L320A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylose. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, ... | Authors: | Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. | Deposit date: | 2019-09-13 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity. Febs J., 287, 2020
|
|
5NZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nz7 by Molmil](/molmil-images/mine/5nz7) | Clostridium thermocellum cellodextrin phosphorylase ligand free form | Descriptor: | CHLORIDE ION, Cellodextrin phosphorylase | Authors: | O'Neill, E.C, Pergolizzi, G, Stevenson, C.E.M, Lawson, D.M, Nepogodiev, S.A, Field, R.A. | Deposit date: | 2017-05-12 | Release date: | 2017-08-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cellodextrin phosphorylase from Ruminiclostridium thermocellum: X-ray crystal structure and substrate specificity analysis. Carbohydr. Res., 451, 2017
|
|
5AJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aji by Molmil](/molmil-images/mine/5aji) | MscS D67R1 high resolution | Descriptor: | DECANE, HEXANE, N-OCTANE, ... | Authors: | Naismith, J.H, Pliotas, C. | Deposit date: | 2015-02-24 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The Role of Lipids in Mechanosensation. Nat.Struct.Mol.Biol., 22, 2015
|
|
1HHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hhv by Molmil](/molmil-images/mine/1hhv) | SOLUTION STRUCTURE OF VIRUS CHEMOKINE VMIP-II | Descriptor: | VIRUS CHEMOKINE VMIP-II | Authors: | Shao, W, Fernandez, E, Navenot, J.M, Wilken, J, Thompson, D.A, Pepiper, S, Schweitzer, B.I, Lolis, E. | Deposit date: | 1998-12-06 | Release date: | 2003-09-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | CCR2 and CCR5 receptor-binding properties of herpesvirus-8
vMIP-II based on sequence analysis and its solution structure Eur.J.Biochem., 268, 2001
|
|
1NVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nvf by Molmil](/molmil-images/mine/1nvf) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, ADP and carbaphosphonate | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
|
|
5O9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o9w by Molmil](/molmil-images/mine/5o9w) | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with 2-oxoglutarate | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | Deposit date: | 2017-06-20 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. J. Struct. Biol., 202, 2018
|
|
8T2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t2h by Molmil](/molmil-images/mine/8t2h) | DYRK1A complex with DYR530 | Descriptor: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ... | Authors: | Montfort, W.R, Basantes, L.E. | Deposit date: | 2023-06-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue To Be Published
|
|
3JXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jxz by Molmil](/molmil-images/mine/3jxz) | |
6NAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nal by Molmil](/molmil-images/mine/6nal) | |
4R1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r1u by Molmil](/molmil-images/mine/4r1u) | Crystal structure of Medicago truncatula cinnamoyl-CoA reductase | Descriptor: | ACETATE ION, Cinnamoyl CoA reductase | Authors: | Noel, J.P, Bomati, E.K, Louie, G.V, Bowman, M.E. | Deposit date: | 2014-08-07 | Release date: | 2014-10-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis. Plant Cell, 26, 2014
|
|
5DQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dqc by Molmil](/molmil-images/mine/5dqc) | Co-crystal of BACE1 with compound 0211 | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | Deposit date: | 2015-09-14 | Release date: | 2016-02-17 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.4651 Å) | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7, 2016
|
|
6N9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n9e by Molmil](/molmil-images/mine/6n9e) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic CC-Pmn and bound to mRNA and P-site tRNA at 3.7A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ... | Authors: | Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S. | Deposit date: | 2018-12-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site. Nucleic Acids Res., 47, 2019
|
|
7KKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kks by Molmil](/molmil-images/mine/7kks) | Neutron structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
|
|
6SQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sqm by Molmil](/molmil-images/mine/6sqm) | Crystal structure of CREBBP bromodomain complexed with LA36 | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide | Authors: | Bedi, R.K, Laul, E, Nevado, C, Caflisch, A. | Deposit date: | 2019-09-04 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of CREBBP bromodomain complexed with LA36 To Be Published
|
|
5MDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mdi by Molmil](/molmil-images/mine/5mdi) | Crystal structure of TDP-43 N-terminal domain at 2.1 A resolution | Descriptor: | ACETATE ION, TAR DNA-binding protein 43 | Authors: | Afroz, T, Hock, E.-M, Ernst, P, Foglieni, C, Jambeau, M, Gilhespy, L, Laferriere, F, Maniecka, Z, Plueckthun, A, Mittl, P, Paganetti, P, Allain, F.H.T, Polymenidou, M. | Deposit date: | 2016-11-11 | Release date: | 2017-07-05 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functional and dynamic polymerization of the ALS-linked protein TDP-43 antagonizes its pathologic aggregation. Nat Commun, 8, 2017
|
|
1ARE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1are by Molmil](/molmil-images/mine/1are) | STRUCTURES OF DNA-BINDING MUTANT ZINC FINGER DOMAINS: IMPLICATIONS FOR DNA BINDING | Descriptor: | YEAST TRANSCRIPTION FACTOR ADR1, ZINC ION | Authors: | Hoffman, R.C, Xu, R.X, Horvath, S.J, Herriott, J.R, Klevit, R.E. | Deposit date: | 1993-10-01 | Release date: | 1994-01-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Structures of DNA-binding mutant zinc finger domains: implications for DNA binding. Protein Sci., 2, 1993
|
|
1WAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wap by Molmil](/molmil-images/mine/1wap) | |
6SWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6swd by Molmil](/molmil-images/mine/6swd) | IC2 body model of cryo-EM structure of a full archaeal ribosomal translation initiation complex devoid of aIF1 in P. abyssi | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Coureux, P.-D, Mechulam, Y, Schmitt, E. | Deposit date: | 2019-09-20 | Release date: | 2020-02-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation. Commun Biol, 3, 2020
|
|
1NVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nvb by Molmil](/molmil-images/mine/1nvb) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
|
|
3K4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k4d by Molmil](/molmil-images/mine/3k4d) | Crystal structure of E. coli beta-glucuronidase with the glucaro-d-lactam inhibitor bound | Descriptor: | (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid, Beta-glucuronidase | Authors: | Wallace, B.D, Redinbo, M.R. | Deposit date: | 2009-10-05 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Alleviating cancer drug toxicity by inhibiting a bacterial enzyme. Science, 330, 2010
|
|
5MRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mrd by Molmil](/molmil-images/mine/5mrd) | Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M. | Deposit date: | 2016-12-22 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms. ACS Chem. Biol., 12, 2017
|
|
2YBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ybu by Molmil](/molmil-images/mine/2ybu) | Crystal structure of human acidic chitinase in complex with bisdionin F | Descriptor: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor. Chem. Biol., 18, 2011
|
|
6T8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t8u by Molmil](/molmil-images/mine/6t8u) | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
|
|
5UE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ue6 by Molmil](/molmil-images/mine/5ue6) | Structure of nitrite reductase AniA from Neisseria gonorrhoeae, space group I4122 | Descriptor: | COPPER (II) ION, Nitrite reductase, SODIUM ION | Authors: | Hamza, A, Williamson, Z.A, Reed, R.W, Sikora, A.E, Korotkov, K.V. | Deposit date: | 2016-12-29 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Peptide Inhibitors Targeting the Neisseria gonorrhoeae Pivotal Anaerobic Respiration Factor AniA. Antimicrob. Agents Chemother., 61, 2017
|
|