6DJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dj3 by Molmil](/molmil-images/mine/6dj3) | |
6DJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6djf by Molmil](/molmil-images/mine/6djf) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
|
|
6DJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6djy by Molmil](/molmil-images/mine/6djy) | Fako virus | Descriptor: | Clamp protein, Major capsid protein, Turret protein | Authors: | Kaelber, J.T, Jiang, W, Weaver, S.C, Auguste, A.J, Chiu, W. | Deposit date: | 2018-05-27 | Release date: | 2019-06-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The polymerase organization of Fako virus To be Published
|
|
6DL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dl7 by Molmil](/molmil-images/mine/6dl7) | Human mitochondrial ClpP in complex with ONC201 (TIC10) | Descriptor: | 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | Authors: | Halgas, O, Zarabi, S.F, Schimmer, A, Pai, E.F. | Deposit date: | 2018-05-31 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mitochondrial ClpP-Mediated Proteolysis Induces Selective Cancer Cell Lethality. Cancer Cell, 35, 2019
|
|
6DM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dm3 by Molmil](/molmil-images/mine/6dm3) | Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila, apoprotein | Descriptor: | RavO | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Kaneko, T, Li, S, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2018-06-04 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila, apoprotein To Be Published
|
|
6DMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dmx by Molmil](/molmil-images/mine/6dmx) | HBZ56 in complex with KIX and c-Myb | Descriptor: | BZIP factor, CREB-binding protein, Transcriptional activator Myb | Authors: | Yang, K, Wright, P.E, Stanfield, R.L. | Deposit date: | 2018-06-05 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dne by Molmil](/molmil-images/mine/6dne) | Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660 | Descriptor: | Bromodomain-containing protein 4, N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} | Authors: | Ren, C, Zhou, M.M. | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.958 Å) | Cite: | Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dnq by Molmil](/molmil-images/mine/6dnq) | HBZ77 in complex with KIX and c-Myb | Descriptor: | 1,2-ETHANEDIOL, BZIP factor, CREB-binding protein, ... | Authors: | Yang, K, Wright, P.E, Stanfield, R.L. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6det by Molmil](/molmil-images/mine/6det) | |
6DQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dq6 by Molmil](/molmil-images/mine/6dq6) | |
6DEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dex by Molmil](/molmil-images/mine/6dex) | Structure of Eremothecium gossypii Shu1:Shu2 complex | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MAGNESIUM ION, Suppressor of hydroxyurea sensitivity protein 1, ... | Authors: | Singh, N, Corbett, K.D. | Deposit date: | 2018-05-13 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Eremothecium gossypii Shu1:Shu2 complex To Be Published
|
|
6DQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dqf by Molmil](/molmil-images/mine/6dqf) | |
6DFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dfr by Molmil](/molmil-images/mine/6dfr) | |
7CFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cfo by Molmil](/molmil-images/mine/7cfo) | Crystal structure of human RXRalpha ligand binding domain complexed with CBTF-EE. | Descriptor: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid, GLYCEROL, Retinoic acid receptor RXR-alpha | Authors: | Watanabe, M, Fujihara, M, Motoyama, T, Kawasaki, M, Yamada, S, Takamura, Y, Ito, S, Makishima, M, Nakano, S, Kakuta, H. | Deposit date: | 2020-06-27 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers. J.Med.Chem., 64, 2021
|
|
6DJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dje by Molmil](/molmil-images/mine/6dje) | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
|
|
7PXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pxv by Molmil](/molmil-images/mine/7pxv) | LsAA9_A chemically reduced with ascorbic acid (high X-ray dose) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
|
|
6DKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dkk by Molmil](/molmil-images/mine/6dkk) | Structure of BoNT | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | Authors: | Lam, K, Jin, R. | Deposit date: | 2018-05-29 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1. Nat Commun, 9, 2018
|
|
6D59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d59 by Molmil](/molmil-images/mine/6d59) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
|
|
6D5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d5t by Molmil](/molmil-images/mine/6d5t) | Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, LYSINE, ... | Authors: | Juers, D.H. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.00003719 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
|
|
7PXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pxm by Molmil](/molmil-images/mine/7pxm) | X-ray structure of LPMO at 1.45x10^6 Gy | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION | Authors: | Tandrup, T, Lo Leggio, L. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
|
|
7PXI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pxi by Molmil](/molmil-images/mine/7pxi) | X-ray structure of LPMO at 7.88x10^3 Gy | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION | Authors: | Tandrup, T, Lo Leggio, L. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
|
|
6D7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d7k by Molmil](/molmil-images/mine/6d7k) | Complex structure of Methane monooxygenase hydroxylase in complex with inhibitory subunit | Descriptor: | FE (III) ION, FORMIC ACID, HEXANE-1,6-DIOL, ... | Authors: | Kim, H, Lee, S.J, Cho, U.-S. | Deposit date: | 2018-04-24 | Release date: | 2019-06-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | MMOD-induced structural changes of hydroxylase in soluble methane monooxygenase. Sci Adv, 5, 2019
|
|
6DAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6das by Molmil](/molmil-images/mine/6das) | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
|
|
6DQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dqa by Molmil](/molmil-images/mine/6dqa) | Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
7PXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pxl by Molmil](/molmil-images/mine/7pxl) | X-ray structure of LPMO at 3.6x10^5 Gy | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Tandrup, T, Lo Leggio, L. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
|
|