8VX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vx0 by Molmil](/molmil-images/mine/8vx0) | CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Shah, M.B. | Deposit date: | 2024-02-02 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan. J.Inorg.Biochem., 258, 2024
|
|
8PLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pln by Molmil](/molmil-images/mine/8pln) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 24. | Descriptor: | 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
|
|
6G72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g72 by Molmil](/molmil-images/mine/6g72) | Mouse mitochondrial complex I in the deactive state | Descriptor: | ACETYL GROUP, ADENOSINE-5'-DIPHOSPHATE, Acyl carrier protein, ... | Authors: | Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J. | Deposit date: | 2018-04-04 | Release date: | 2018-06-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states. Nat. Struct. Mol. Biol., 25, 2018
|
|
4Y5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y5e by Molmil](/molmil-images/mine/4y5e) | Endothiapepsin in complex with fragment 268 | Descriptor: | (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Wang, X, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.116 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
|
|
7TKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tkx by Molmil](/molmil-images/mine/7tkx) | Crystal structure of R14A human Galectin-7 mutant in presence of 4-O-beta-D-Galactopyranosyl-D-glucose | Descriptor: | (2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal, 1,2-ETHANEDIOL, ... | Authors: | Pham, N.T.H, Calmettes, C, Doucet, N. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structure of R14A human Galectin-7 mutant in presence of 4-O-beta-D-Galactopyranosyl-D-glucose To Be Published
|
|
8F86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f86 by Molmil](/molmil-images/mine/8f86) | SIRT6 bound to an H3K9Ac nucleosome | Descriptor: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | Authors: | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | Deposit date: | 2022-11-21 | Release date: | 2023-04-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation. J.Am.Chem.Soc., 145, 2023
|
|
6ZSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zse by Molmil](/molmil-images/mine/6zse) | Human mitochondrial ribosome in complex with mRNA, A/P-tRNA and P/E-tRNA | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | Deposit date: | 2020-07-15 | Release date: | 2020-09-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Structural basis of mitochondrial translation. Elife, 9, 2020
|
|
5NKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nkn by Molmil](/molmil-images/mine/5nkn) | Crystal structure of an Anticalin-colchicine complex | Descriptor: | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, Neutrophil gelatinase-associated lipocalin | Authors: | Skerra, A, Eichinger, A, Barkovskiy, M. | Deposit date: | 2017-03-31 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An engineered lipocalin that tightly complexes the plant poison colchicine for use as antidote and in bioanalytical applications. Biol. Chem., 400, 2019
|
|
7THS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ths by Molmil](/molmil-images/mine/7ths) | Macrocyclic plasmin inhibitor | Descriptor: | (2S)-butane-1,2-diol, (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide, Plasminogen, ... | Authors: | Guojie, W. | Deposit date: | 2022-01-12 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors. Chemmedchem, 18, 2023
|
|
8FVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fvw by Molmil](/molmil-images/mine/8fvw) | |
3JWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jwv by Molmil](/molmil-images/mine/3jwv) | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
|
|
5NPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5npf by Molmil](/molmil-images/mine/5npf) | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ... | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
|
|
8Q1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q1w by Molmil](/molmil-images/mine/8q1w) | |
8PN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pn3 by Molmil](/molmil-images/mine/8pn3) | |
8Q28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q28 by Molmil](/molmil-images/mine/8q28) | |
6Z5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z5c by Molmil](/molmil-images/mine/6z5c) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 To Be Published
|
|
6TP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tp6 by Molmil](/molmil-images/mine/6tp6) | Crystal structure of the Orexin-1 receptor in complex with filorexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CHLORIDE ION, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
|
|
6Z7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z7u by Molmil](/molmil-images/mine/6z7u) | Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Ewert, W, Preller, M. | Deposit date: | 2020-06-01 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke. Int J Mol Sci, 21, 2020
|
|
3DR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dr4 by Molmil](/molmil-images/mine/3dr4) | GDP-perosamine synthase K186A mutant from Caulobacter crescentus with bound sugar ligand | Descriptor: | 1,2-ETHANEDIOL, Putative perosamine synthetase, [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate | Authors: | Holden, H.M, Cook, P.D, Carney, A.E. | Deposit date: | 2008-07-10 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Accommodation of GDP-linked sugars in the active site of GDP-perosamine synthase Biochemistry, 47, 2008
|
|
5Z7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z7j by Molmil](/molmil-images/mine/5z7j) | Crystal structure of a lactonase double mutant in complex with ligand l | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, DI(HYDROXYETHYL)ETHER, Lactonase for protein | Authors: | Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-01-29 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
|
|
5Z95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z95 by Molmil](/molmil-images/mine/5z95) | Structural basis for specific inhibition of highly sensitive ShHTL7 receptor | Descriptor: | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, GLYCEROL, Hyposensitive to light 7, ... | Authors: | Hameed, U.S, Arold, S.T. | Deposit date: | 2018-02-02 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis for specific inhibition of the highly sensitive ShHTL7 receptor. EMBO Rep., 19, 2018
|
|
7OG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7og4 by Molmil](/molmil-images/mine/7og4) | Human mitochondrial ribosome in complex with P/E-tRNA | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | Deposit date: | 2021-05-06 | Release date: | 2021-06-23 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of mitochondrial translation. Elife, 9, 2020
|
|
4Z3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z3w by Molmil](/molmil-images/mine/4z3w) | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA | Descriptor: | 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ... | Authors: | Weinert, T, Kung, J, Weidenweber, S, Huwiler, S, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
|
|
7AYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ayh by Molmil](/molmil-images/mine/7ayh) | Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2c) | Descriptor: | 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A | Authors: | Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors. Molecules, 26, 2021
|
|
5Z01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z01 by Molmil](/molmil-images/mine/5z01) | Native Escherichia coli L,D-carboxypeptidase A (LdcA) | Descriptor: | MAGNESIUM ION, Murein tetrapeptide carboxypeptidase | Authors: | Meyer, K, Tame, J.R.H. | Deposit date: | 2017-12-18 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure and oligomeric form of Escherichia colil,d-carboxypeptidase A. Biochem. Biophys. Res. Commun., 499, 2018
|
|