6DAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dai by Molmil](/molmil-images/mine/6dai) | 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: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 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
|
|
5KCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kcu by Molmil](/molmil-images/mine/5kcu) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative | Descriptor: | (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-07 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
|
|
5KCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kcd by Molmil](/molmil-images/mine/5kcd) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
|
|
6DAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dar by Molmil](/molmil-images/mine/6dar) | 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: | DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 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
|
|
5KCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kcf by Molmil](/molmil-images/mine/5kcf) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative | Descriptor: | (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
|
|
5KCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kct by Molmil](/molmil-images/mine/5kct) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative | Descriptor: | (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-07 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
|
|
4OH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oh4 by Molmil](/molmil-images/mine/4oh4) | Crystal structure of BRI1 in complex with BKI1 | Descriptor: | BRI1 kinase inhibitor 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1 | Authors: | Wang, J, Wang, J, Wu, J.W, Wang, Z.X. | Deposit date: | 2014-01-17 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into the negative regulation of BRI1 signaling by BRI1-interacting protein BKI1. Cell Res., 24, 2014
|
|
4OI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oi7 by Molmil](/molmil-images/mine/4oi7) | RAGE recognizes nucleic acids and promotes inflammatory responses to DNA | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*TP*AP*GP*CP*AP*TP*CP*GP*TP*TP*GP*CP*AP*G)-3', 5'-D(*CP*TP*GP*CP*AP*AP*CP*GP*AP*TP*GP*CP*TP*AP*CP*GP*AP*AP*CP*GP*TP*G)-3', ... | Authors: | Jin, T, Jiang, J, Xiao, T. | Deposit date: | 2014-01-19 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA. J.Exp.Med., 210, 2013
|
|
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
|
|
4ONJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4onj by Molmil](/molmil-images/mine/4onj) | Crystal structure of the catalytic domain of ntDRM | Descriptor: | DNA methyltransferase, SINEFUNGIN | Authors: | Du, J, Patel, D.J. | Deposit date: | 2014-01-28 | Release date: | 2014-06-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Molecular Mechanism of Action of Plant DRM De Novo DNA Methyltransferases. Cell(Cambridge,Mass.), 157, 2014
|
|
6DAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dak by Molmil](/molmil-images/mine/6dak) | 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: | DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 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
|
|
6DHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dha by Molmil](/molmil-images/mine/6dha) | |
8E1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e1o by Molmil](/molmil-images/mine/8e1o) | Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Dey, A, Zbieg, J, Crawford, J. | Deposit date: | 2022-08-10 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation Biorxiv, 2024
|
|
2XDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xdg by Molmil](/molmil-images/mine/2xdg) | Crystal structure of the extracellular domain of human growth hormone releasing hormone receptor. | Descriptor: | 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION | Authors: | Pike, A.C.W, Quigley, A, Barr, A.J, Burgess Brown, N, Shrestha, L, Yang, J, Chaikuad, A, Vollmar, M, Muniz, J.R.C, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | Deposit date: | 2010-04-30 | Release date: | 2010-06-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the Extracellular Domain of Human Growth Hormone Releasing Hormone Receptor. To be Published
|
|
2G7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g7o by Molmil](/molmil-images/mine/2g7o) | Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM | Descriptor: | Protein traM | Authors: | Lu, J, Edwards, R.A, Wong, J.J, Manchak, J, Scott, P.G, Frost, L.S, Glover, J.N. | Deposit date: | 2006-02-28 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM. Embo J., 25, 2006
|
|
2XS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xs3 by Molmil](/molmil-images/mine/2xs3) | Structure of karilysin catalytic MMP domain | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, KARILYSIN PROTEASE, PEPTIDE ALA-PHE-THR-SER, ... | Authors: | Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2010-09-24 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases. Mol.Microbiol., 79, 2011
|
|
2XS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xs4 by Molmil](/molmil-images/mine/2xs4) | Structure of karilysin catalytic MMP domain in complex with magnesium | Descriptor: | CHLORIDE ION, KARILYSIN PROTEASE, MAGNESIUM ION, ... | Authors: | Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2010-09-24 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases. Mol.Microbiol., 79, 2011
|
|
2XZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xz6 by Molmil](/molmil-images/mine/2xz6) | MTSET-modified Y53C mutant of Aplysia AChBP | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Brams, M, Gay, E.A, Colon Saez, J, Guskov, A, Van Elk, R, Van Der Schors, R.C, Peigneur, S, Tytgat, J, Strelkov, S.V, Smit, A.B, Yakel, J.L, Ulens, C. | Deposit date: | 2010-11-23 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.137 Å) | Cite: | Crystal Structures of a Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein J.Biol.Chem., 286, 2011
|
|
1M47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m47 by Molmil](/molmil-images/mine/1m47) | Crystal Structure of Human Interleukin-2 | Descriptor: | SULFATE ION, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Binding of small molecules to an adaptive protein-protein interface. Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
1M4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m4c by Molmil](/molmil-images/mine/1m4c) | Crystal Structure of Human Interleukin-2 | Descriptor: | interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
6Q6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q6e by Molmil](/molmil-images/mine/6q6e) | Structural and functional insights into the condensin ATPase cycle | Descriptor: | Condensin complex subunit 2,Structural maintenance of chromosomes protein,Structural maintenance of chromosomes protein | Authors: | Simon, B, Hassler, M, Haering, C.H, Hennig, J. | Deposit date: | 2018-12-10 | Release date: | 2019-07-03 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural Basis of an Asymmetric Condensin ATPase Cycle. Mol.Cell, 74, 2019
|
|
3GV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gv4 by Molmil](/molmil-images/mine/3gv4) | Crystal structure of human HDAC6 zinc finger domain and ubiquitin C-terminal peptide RLRGG | Descriptor: | CALCIUM ION, Histone deacetylase 6, ZINC ION, ... | Authors: | Dong, A, Ravichandran, M, Loppnau, P, Li, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Dhe-Paganon, S, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-30 | Release date: | 2009-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of human HDAC6 zinc finger domain and ubiquitin C-terminal peptide RLRGG To be Published
|
|
5KAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kae by Molmil](/molmil-images/mine/5kae) | |
2XCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xcq by Molmil](/molmil-images/mine/2xcq) | The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase | Descriptor: | DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A | Authors: | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | Deposit date: | 2010-04-24 | Release date: | 2010-08-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
|
|
5VKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vku by Molmil](/molmil-images/mine/5vku) | An atomic structure of the human cytomegalovirus (HCMV) capsid with its securing layer of pp150 tegument protein | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Tegument protein pp150, ... | Authors: | Yu, X, Jih, J, Jiang, J, Zhou, H. | Deposit date: | 2017-04-24 | Release date: | 2017-06-28 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic structure of the human cytomegalovirus capsid with its securing tegument layer of pp150. Science, 356, 2017
|
|