8BZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bza by Molmil](/molmil-images/mine/8bza) | single soak stabilizer for ERa - 14-3-3 interaction (AZ555) | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
6TV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tv3 by Molmil](/molmil-images/mine/6tv3) | HumRadA1 in complex with 3-amino-2-naphthoic acid | Descriptor: | 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ... | Authors: | Marsh, M.E, Hyvonen, M. | Deposit date: | 2020-01-08 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
|
|
8BYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8byd by Molmil](/molmil-images/mine/8byd) | |
7YXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yxt by Molmil](/molmil-images/mine/7yxt) | |
5C6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c6i by Molmil](/molmil-images/mine/5c6i) | Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | Authors: | Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. | Deposit date: | 2015-06-23 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards phasing using high X-ray intensity. Iucrj, 2, 2015
|
|
8I2S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i2s by Molmil](/molmil-images/mine/8i2s) | Crystal structure of AtHPPD-Y18979 complex | Descriptor: | 1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-15 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Crystal structure of AtHPPD-Y18979 complex To Be Published
|
|
6TVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tve by Molmil](/molmil-images/mine/6tve) | Unliganded human CD73 (5'-nucleotidase) in the open state | Descriptor: | 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Scaletti, E, Strater, N. | Deposit date: | 2020-01-09 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
|
|
8HXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hxg by Molmil](/molmil-images/mine/8hxg) | Crystal structure of AtHPPD-Y14116 complex | Descriptor: | (1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, ... | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-04 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Crystal structure of AtHPPD-Y14116 complex To Be Published
|
|
5XPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xpe by Molmil](/molmil-images/mine/5xpe) | Neutron structure of the T26H mutant of T4 lysozyme | Descriptor: | CHLORIDE ION, Endolysin, SODIUM ION | Authors: | Hiromoto, T, Kuroki, R. | Deposit date: | 2017-06-01 | Release date: | 2017-10-04 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.648 Å), X-RAY DIFFRACTION | Cite: | Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type. Protein Sci., 26, 2017
|
|
8BYC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8byc by Molmil](/molmil-images/mine/8byc) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1075316) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-12 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8HYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hyo by Molmil](/molmil-images/mine/8hyo) | Crystal structure of AtHPPD-Y18031 complex | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of AtHPPD-Y18031 complex To Be Published
|
|
5UCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ucw by Molmil](/molmil-images/mine/5ucw) | |
8HYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hym by Molmil](/molmil-images/mine/8hym) | Crystal structure of AtHPPD-Y18030 complex | Descriptor: | 3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Crystal structure of AtHPPD-Y18030 complex To Be Published
|
|
8C0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0k by Molmil](/molmil-images/mine/8c0k) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-17 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8I15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i15 by Molmil](/molmil-images/mine/8i15) | Crystal structure of AtHPPD-YH20335 complex | Descriptor: | 1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-12 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of AtHPPD-YH20335 complex To Be Published
|
|
3NMM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nmm by Molmil](/molmil-images/mine/3nmm) | Human Hemoglobin A mutant alpha H58W deoxy-form | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Birukou, I, Soman, J, Olson, J.S. | Deposit date: | 2010-06-22 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Blocking the gate to ligand entry in human hemoglobin. J.Biol.Chem., 286, 2011
|
|
8BXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bxn by Molmil](/molmil-images/mine/8bxn) | |
5BX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bx5 by Molmil](/molmil-images/mine/5bx5) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
|
|
8I2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i2u by Molmil](/molmil-images/mine/8i2u) | Crystal structure of AtHPPD-YH20282 complex | Descriptor: | 2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-15 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Crystal structure of AtHPPD-YH20282 complex To Be Published
|
|
3QVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qvi by Molmil](/molmil-images/mine/3qvi) | Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | Deposit date: | 2011-02-25 | Release date: | 2011-10-12 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum. Biochemistry, 50, 2011
|
|
8BYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8byy by Molmil](/molmil-images/mine/8byy) | |
8C04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c04 by Molmil](/molmil-images/mine/8c04) | Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8HX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hx2 by Molmil](/molmil-images/mine/8hx2) | Crystal structure of AtHPPD-Y18405 complex | Descriptor: | 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-03 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Crystal structure of AtHPPD-Y18405 complex To Be Published
|
|
8C4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c4f by Molmil](/molmil-images/mine/8c4f) | Small molecule amidine soak in 14-3-3/ERa (AZ037) | Descriptor: | 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2023-01-03 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8HZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hz9 by Molmil](/molmil-images/mine/8hz9) | Crystal structure of AtHPPD-Y181136 complex | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-08 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Crystal structure of AtHPPD-Y181136 complex To Be Published
|
|