7NBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nba by Molmil](/molmil-images/mine/7nba) | Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule. | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ... | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition. J.Biol.Chem., 297, 2021
|
|
1R3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r3e by Molmil](/molmil-images/mine/1r3e) | Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA-protein Recognition Through a Combination of Rigid Docking and Induced Fit | Descriptor: | 5'-R(*CP*UP*GP*UP*GP*UP*(FHU)P*CP*GP*AP*UP*CP*CP*AP*CP*AP*G)-3', 5'-R(*CP*UP*GP*UP*GP*UP*UP*CP*GP*AP*UP*CP*CP*AP*CP*AP*G)-3', tRNA pseudouridine synthase B | Authors: | Pan, H, Agarwalla, S, Moustakas, D.T, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2003-10-01 | Release date: | 2003-11-04 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA Recognition Through a Combination of Rigid Docking and Induced Fit Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
7NB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nb8 by Molmil](/molmil-images/mine/7nb8) | Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule. | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ... | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition. J.Biol.Chem., 297, 2021
|
|
1OFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ofj by Molmil](/molmil-images/mine/1ofj) | |
1OIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oir by Molmil](/molmil-images/mine/1oir) | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | Descriptor: | 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | Deposit date: | 2003-06-24 | Release date: | 2003-09-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
|
|
1EGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1egk by Molmil](/molmil-images/mine/1egk) | CRYSTAL STRUCTURE OF A NUCLEIC ACID FOUR-WAY JUNCTION | Descriptor: | 10-23 DNA ENZYME, MAGNESIUM ION, RNA (5'-R(*AP*GP*GP*AP*GP*AP*GP*AP*GP*AP*UP*GP*GP*GP*UP*GP*CP*GP*AP*G)-3') | Authors: | Nowakowski, J, Shim, P.J, Stout, C.D, Joyce, G.F. | Deposit date: | 2000-02-15 | Release date: | 2000-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Alternative conformations of a nucleic acid four-way junction. J.Mol.Biol., 300, 2000
|
|
5KJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kjd by Molmil](/molmil-images/mine/5kjd) | |
5KOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kow by Molmil](/molmil-images/mine/5kow) | Structure of rifampicin monooxygenase | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase | Authors: | Tanner, J.J, Liu, L.-K. | Deposit date: | 2016-07-01 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase. J.Biol.Chem., 291, 2016
|
|
8CJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cja by Molmil](/molmil-images/mine/8cja) | A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-13 | Release date: | 2024-02-21 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Coupling CO 2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
1E9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e9h by Molmil](/molmil-images/mine/1e9h) | Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A3 | Authors: | Davies, T.G, Tunnah, P, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2000-10-16 | Release date: | 2001-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitor Binding to Active and Inactive Cdk2: The Crystal Structure of Cdk2-Cyclin A/Indirubin-5-Sulphonate Structure, 9, 2001
|
|
1P0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p0v by Molmil](/molmil-images/mine/1p0v) | F393A mutant heme domain of flavocytochrome P450 BM3 | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | Deposit date: | 2003-04-11 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3 J.Am.Chem.Soc., 125, 2003
|
|
5KJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kjb by Molmil](/molmil-images/mine/5kjb) | |
1EM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1em1 by Molmil](/molmil-images/mine/1em1) | X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A | Descriptor: | MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE, SULFATE ION | Authors: | Leveque, V, Stroupe, M.E, Lepock, J.R, Cabelli, D.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | Deposit date: | 2000-03-14 | Release date: | 2000-03-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Multiple replacements of glutamine 143 in human manganese superoxide dismutase: effects on structure, stability, and catalysis. Biochemistry, 39, 2000
|
|
8CD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cd4 by Molmil](/molmil-images/mine/8cd4) | structure of HEX-1 from N. crassa crystallized in cellulo (cytosol), diffracted at 100K and resolved using CrystFEL | Descriptor: | Woronin body major protein | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
|
|
8CD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cd6 by Molmil](/molmil-images/mine/8cd6) | structure of HEX-1 (cyto V2) from N. crassa grown in living insect cells, diffracted at 100K and resolved using CrystFEL | Descriptor: | Woronin body major protein | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
|
|
1ENA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ena by Molmil](/molmil-images/mine/1ena) | |
1SGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sgh by Molmil](/molmil-images/mine/1sgh) | Moesin FERM domain bound to EBP50 C-terminal peptide | Descriptor: | Ezrin-radixin-moesin binding phosphoprotein 50, Moesin | Authors: | Finnerty, C.M, Chambers, D, Ingraffea, J, Faber, H.R, Karplus, P.A, Bretscher, A. | Deposit date: | 2004-02-23 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The EBP50-moesin interaction involves a binding site regulated by direct masking on the FERM domain J.Cell.Sci., 117, 2004
|
|
1EP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ep6 by Molmil](/molmil-images/mine/1ep6) | |
1EVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1evx by Molmil](/molmil-images/mine/1evx) | APO CRYSTAL STRUCTURE OF THE HOMING ENDONUCLEASE, I-PPOI | Descriptor: | INTRON-ENCODED HOMING ENDONUCLEASE I-PPOI, SULFATE ION, ZINC ION | Authors: | Galburt, E.A, Jurica, M.S, Chevalier, B.S, Erho, D, Stoddard, B.L. | Deposit date: | 2000-04-20 | Release date: | 2000-08-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational changes and cleavage by the homing endonuclease I-PpoI: a critical role for a leucine residue in the active site. J.Mol.Biol., 300, 2000
|
|
5KZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kzn by Molmil](/molmil-images/mine/5kzn) | Metabotropic Glutamate Receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
|
|
7N9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n9g by Molmil](/molmil-images/mine/7n9g) | Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, PHOSPHATE ION, ... | Authors: | Miller, D.J, Xie, T. | Deposit date: | 2021-06-17 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imatinib can act as an Allosteric Activator of Abl Kinase. J.Mol.Biol., 434, 2022
|
|
6YDM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ydm by Molmil](/molmil-images/mine/6ydm) | beta-phosphoglucomutase from Lactococcus lactis with citrate, tris and acetate bound | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P. | Deposit date: | 2020-03-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allomorphy as a mechanism of post-translational control of enzyme activity. Nat Commun, 11, 2020
|
|
6YDL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ydl by Molmil](/molmil-images/mine/6ydl) | Substrate-free beta-phosphoglucomutase from Lactococcus lactis | Descriptor: | Beta-phosphoglucomutase, MAGNESIUM ION | Authors: | Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P. | Deposit date: | 2020-03-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Allomorphy as a mechanism of post-translational control of enzyme activity. Nat Commun, 11, 2020
|
|
5KJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kja by Molmil](/molmil-images/mine/5kja) | Synechocystis apocarotenoid oxygenase (ACO) mutant - Trp149Ala | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | Authors: | Sui, X, Kiser, P.D, Palczewski, K. | Deposit date: | 2016-06-18 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Key Residues for Catalytic Function and Metal Coordination in a Carotenoid Cleavage Dioxygenase. J.Biol.Chem., 291, 2016
|
|
6GRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6grj by Molmil](/molmil-images/mine/6grj) | Structure of the AhlB pore of the tripartite alpha-pore forming toxin, AHL, from Aeromonas hydrophila. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AhlB, CHLORIDE ION, ... | Authors: | Churchill-Angus, A.M, Wilson, J.S, Baker, P.J. | Deposit date: | 2018-06-11 | Release date: | 2019-07-03 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Identification and structural analysis of the tripartite alpha-pore forming toxin of Aeromonas hydrophila. Nat Commun, 10, 2019
|
|