3N83
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3n83 by Molmil](/molmil-images/mine/3n83) | |
3N82
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3n82 by Molmil](/molmil-images/mine/3n82) | |
3N80
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3n80 by Molmil](/molmil-images/mine/3n80) | |
4WB9
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4wb9 by Molmil](/molmil-images/mine/4wb9) | Human ALDH1A1 complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Morgan, C.A, Hurley, T.D. | Deposit date: | 2014-09-02 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1. Chem.Biol.Interact., 234, 2015
|
|
4X4L
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4x4l by Molmil](/molmil-images/mine/4x4l) | Structure of human ALDH1A1 with inhibitor CM037 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Morgan, C.A, Hurley, T.D. | Deposit date: | 2014-12-03 | Release date: | 2015-02-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
|
|
4WP7
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4wp7 by Molmil](/molmil-images/mine/4wp7) | Structure of human ALDH1A1 with inhibitor CM026 | Descriptor: | 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Morgan, C.A, Hurley, T.D. | Deposit date: | 2014-10-17 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
|
|
4WJ9
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4wj9 by Molmil](/molmil-images/mine/4wj9) | Structure of Human apo ALDH1A1 | Descriptor: | CHLORIDE ION, Retinal dehydrogenase 1, YTTERBIUM (III) ION | Authors: | Morgan, C.A, Hurley, T.D. | Deposit date: | 2014-09-29 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1. Chem.Biol.Interact., 234, 2015
|
|
4WPN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4wpn by Molmil](/molmil-images/mine/4wpn) | Structure of human ALDH1A1 with inhibitor CM053 | Descriptor: | 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Morgan, C.A, Hurley, T.D. | Deposit date: | 2014-10-20 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
|
|
6DUM
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6dum by Molmil](/molmil-images/mine/6dum) | ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2018-06-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J.Med.Chem., 61, 2018
|
|
2PS1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2ps1 by Molmil](/molmil-images/mine/2ps1) | S. cerevisiae orotate phosphoribosyltransferase complexed with orotic acid and PRPP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OROTIC ACID, ... | Authors: | Gonzalez-Segura, L, Hurley, T.D, McClard, R.W. | Deposit date: | 2007-05-04 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Ternary complex formation and induced asymmetry in orotate phosphoribosyltransferase. Biochemistry, 46, 2007
|
|
2PRZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2prz by Molmil](/molmil-images/mine/2prz) | |
2PRY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2pry by Molmil](/molmil-images/mine/2pry) | |
1ZUM
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1zum by Molmil](/molmil-images/mine/1zum) | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ... | Authors: | Larson, H.N, Weiner, H, Hurley, T.D. | Deposit date: | 2005-05-31 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Disruption of the coenzyme binding site and dimer interface revealed in the crystal structure of mitochondrial aldehyde dehydrogenase "asian" variant J.Biol.Chem., 280, 2005
|
|
1CW3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1cw3 by Molmil](/molmil-images/mine/1cw3) | HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+ | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, MITOCHONDRIAL ALDEHYDE DEHYDROGENASE, ... | Authors: | Ni, L, Zhou, J, Hurley, T.D, Weiner, H. | Deposit date: | 1999-08-25 | Release date: | 1999-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Human liver mitochondrial aldehyde dehydrogenase: three-dimensional structure and the restoration of solubility and activity of chimeric forms. Protein Sci., 8, 1999
|
|
5VNC
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5vnc by Molmil](/molmil-images/mine/5vnc) | |
5UX7
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5ux7 by Molmil](/molmil-images/mine/5ux7) | |
5UW0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5uw0 by Molmil](/molmil-images/mine/5uw0) | |
5UW1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5uw1 by Molmil](/molmil-images/mine/5uw1) | |
5L2O
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5l2o by Molmil](/molmil-images/mine/5l2o) | Crystal Structure of ALDH1A1 in complex with BUC22 | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2016-08-02 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
|
|
5L2N
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5l2n by Molmil](/molmil-images/mine/5l2n) | Structure of ALDH1A1 in complex with BUC25 | Descriptor: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2016-08-02 | Release date: | 2017-03-08 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
|
|
5L2M
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5l2m by Molmil](/molmil-images/mine/5l2m) | Structure of ALDH1A1 in complex with BUC11 | Descriptor: | 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2016-08-02 | Release date: | 2017-03-08 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
|
|
5L13
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5l13 by Molmil](/molmil-images/mine/5l13) | Structure of ALDH2 in complex with 2P3 | Descriptor: | 1,2-ETHANEDIOL, 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one, Aldehyde dehydrogenase, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2016-07-28 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
|
|
5SUK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5suk by Molmil](/molmil-images/mine/5suk) | |
5SUL
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5sul by Molmil](/molmil-images/mine/5sul) | Inhibited state structure of yGsy2p | Descriptor: | Glycogen [starch] synthase isoform 2, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-MONOPHOSPHATE | Authors: | Mahalingan, K.K, Hurley, T.D. | Deposit date: | 2016-08-03 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Redox Switch for the Inhibited State of Yeast Glycogen Synthase Mimics Regulation by Phosphorylation. Biochemistry, 56, 2017
|
|
1D1S
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1d1s by Molmil](/molmil-images/mine/1d1s) | WILD-TYPE HUMAN SIGMA (CLASS IV) ALCOHOL DEHYDROGENASE | Descriptor: | ACETATE ION, ALCOHOL DEHYDROGENASE CLASS IV SIGMA CHAIN, CACODYLATE ION, ... | Authors: | Xie, P.T, Hurley, T.D. | Deposit date: | 1999-09-21 | Release date: | 1999-09-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Methionine-141 directly influences the binding of 4-methylpyrazole in human sigma sigma alcohol dehydrogenase. Protein Sci., 8, 1999
|
|