6HL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hl0 by Molmil](/molmil-images/mine/6hl0) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide | Descriptor: | Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | Deposit date: | 2018-09-10 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
|
|
6U97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u97 by Molmil](/molmil-images/mine/6u97) | Structure of OmcF_H47I mutant | Descriptor: | Lipoprotein cytochrome c, 1 heme-binding site, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pokkuluri, P.R. | Deposit date: | 2019-09-06 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Modulation of the Redox Potential and Electron/Proton Transfer Mechanisms in the Outer Membrane Cytochrome OmcF FromGeobacter sulfurreducens. Front Microbiol, 10, 2019
|
|
6UJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uj4 by Molmil](/molmil-images/mine/6uj4) | |
6UJL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ujl by Molmil](/molmil-images/mine/6ujl) | |
6UJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ujj by Molmil](/molmil-images/mine/6ujj) | |
6UHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uhy by Molmil](/molmil-images/mine/6uhy) | WDR5 in complex with Myc site fragment inhibitor | Descriptor: | 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5 | Authors: | Wang, F, Fesik, S.W. | Deposit date: | 2019-09-29 | Release date: | 2020-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
|
|
6UIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uio by Molmil](/molmil-images/mine/6uio) | Crystal structure of mouse CRES (Cystatin-Related Epididymal Spermatogenic) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cystatin-8, ... | Authors: | Dominguez, M.J, Cornwall, G.A, Hewetson, A, Sutton, R.B. | Deposit date: | 2019-10-01 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Maturation of the functional mouse CRES amyloid from globular form. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6UHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uhz by Molmil](/molmil-images/mine/6uhz) | WDR5 in complex with Myc site fragment inhibitor | Descriptor: | 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5 | Authors: | Wang, F, Fesik, S.w. | Deposit date: | 2019-09-29 | Release date: | 2020-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.258 Å) | Cite: | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
|
|
6I6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i6i by Molmil](/molmil-images/mine/6i6i) | Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69, L75A mutant | Descriptor: | 30S ribosomal protein S6,30S ribosomal protein S6, SULFATE ION | Authors: | Wang, H, Logan, D.T, Oliveberg, M. | Deposit date: | 2018-11-15 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6I6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i6s by Molmil](/molmil-images/mine/6i6s) | Circular permutant of ribosomal protein S6, adding 9aa to C terminal of P68-69, L75A mutant | Descriptor: | 30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6, POTASSIUM ION, SODIUM ION | Authors: | Wang, H, Logan, D.T, Oliveberg, M. | Deposit date: | 2018-11-15 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
1E65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e65 by Molmil](/molmil-images/mine/1e65) | |
5YB9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yb9 by Molmil](/molmil-images/mine/5yb9) | Crystal structure of a dimeric cyclophilin A from T.vaginalis | Descriptor: | Peptidyl-prolyl cis-trans isomerase | Authors: | Cho, C.C, Lin, M.H, Chou, C.C, Martin, T, Chen, C, Hsu, C.H. | Deposit date: | 2017-09-04 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.276 Å) | Cite: | Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis Sci Rep, 8, 2018
|
|
6JCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jcf by Molmil](/molmil-images/mine/6jcf) | Cryogenic structure of HIV-1 Integrase catalytic core domain by synchrotron | Descriptor: | CACODYLATE ION, Integrase | Authors: | Park, J.H, Han, J, Kim, T.H, Yun, J.H, Lee, W. | Deposit date: | 2019-01-28 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers. Int J Mol Sci, 20, 2019
|
|
5YBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yba by Molmil](/molmil-images/mine/5yba) | Dimeric Cyclophilin from T.vaginalis in complex with Myb1 peptide | Descriptor: | Myb1 peptide, Peptidyl-prolyl cis-trans isomerase | Authors: | Cho, C.C, Lin, M.H, Martin, T, Chou, C.C, Chen, C, Hsu, C.H. | Deposit date: | 2017-09-04 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.062 Å) | Cite: | Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis Sci Rep, 8, 2018
|
|
6HKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hks by Molmil](/molmil-images/mine/6hks) | |
1RSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rse by Molmil](/molmil-images/mine/1rse) | |
7M3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m3z by Molmil](/molmil-images/mine/7m3z) | Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35) | Descriptor: | CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide | Authors: | Rietz, T.A. | Deposit date: | 2021-03-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
|
|
7M3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m3y by Molmil](/molmil-images/mine/7m3y) | Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22) | Descriptor: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, Hepatitis A virus cellular receptor 2 | Authors: | Rietz, T.A. | Deposit date: | 2021-03-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
|
|
7M41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m41 by Molmil](/molmil-images/mine/7m41) | Structure of TIM-3 in complex with N-(4-(8-chloro-2-methyl-5-oxo-5,6-dihydro-[1,2,4]traizolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)-1H-imidazole-2-sulfonamide (compound 38) | Descriptor: | CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide | Authors: | Rietz, T.A. | Deposit date: | 2021-03-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
|
|
6L0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l0x by Molmil](/molmil-images/mine/6l0x) | The First Tudor Domain of PHF20L1 | Descriptor: | CITRIC ACID, GLYCEROL, PHD finger protein 20-like protein 1 | Authors: | Lv, M.Q, Gao, J. | Deposit date: | 2019-09-27 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1. J Phys Chem Lett, 11, 2020
|
|
7MHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mhx by Molmil](/molmil-images/mine/7mhx) | KcsA E71V closed gate with Ba2+ | Descriptor: | BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-15 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
|
|
7MUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mub by Molmil](/molmil-images/mine/7mub) | KcsA Open gate E71V mutant in Potassium | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-05-14 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
|
|
7MHR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mhr by Molmil](/molmil-images/mine/7mhr) | KcsA E71V closed gate with K+ | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-15 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
|
|
7MJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mjt by Molmil](/molmil-images/mine/7mjt) | KcsA open gate E71V mutant with Barium | Descriptor: | BARIUM ION, Fab heavy chain, Fab light chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-20 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
|
|
7MK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mk6 by Molmil](/molmil-images/mine/7mk6) | KcsA open gate E71V mutant with sodium | Descriptor: | Fab heavy chain, Fab light chain, pH-gated potassium channel KcsA | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-21 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
|
|