7RW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rw7 by Molmil](/molmil-images/mine/7rw7) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | Descriptor: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
|
|
7RW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rw5 by Molmil](/molmil-images/mine/7rw5) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | Descriptor: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
|
|
7C7V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c7v by Molmil](/molmil-images/mine/7c7v) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
|
|
7C7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c7w by Molmil](/molmil-images/mine/7c7w) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
|
|
5SVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sva by Molmil](/molmil-images/mine/5sva) | Mediator-RNA Polymerase II Pre-Initiation Complex | Descriptor: | 108bp HIS4 Promoter Non-template Strand (-92/+16), 108bp HIS4 Promoter Template Strand (+16/-92), DNA repair helicase RAD25, ... | Authors: | Robinson, P.J, Bushnell, D.A, Kornberg, R.D. | Deposit date: | 2016-08-05 | Release date: | 2016-09-28 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (15.3 Å) | Cite: | Structure of a Complete Mediator-RNA Polymerase II Pre-Initiation Complex. Cell, 166, 2016
|
|
5B41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b41 by Molmil](/molmil-images/mine/5b41) | Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | Descriptor: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | Deposit date: | 2016-03-23 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Apo- and Antagonist-Binding Structures of Vitamin D Receptor Ligand-Binding Domain Revealed by Hybrid Approach Combining Small-Angle X-ray Scattering and Molecular Dynamics J.Med.Chem., 59, 2016
|
|
3VRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vru by Molmil](/molmil-images/mine/3vru) | VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3 | Descriptor: | (1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K. | Deposit date: | 2012-04-14 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands J.Med.Chem., 55, 2012
|
|
3VRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vrw by Molmil](/molmil-images/mine/3vrw) | VDR ligand binding domain in complex with 22S-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3 | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K. | Deposit date: | 2012-04-16 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands J.Med.Chem., 55, 2012
|
|
6K5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k5o by Molmil](/molmil-images/mine/6k5o) | Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists | Descriptor: | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Masuno, H, Kagechika, H, Ito, N. | Deposit date: | 2019-05-29 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel lithocholic acid derivatives as vitamin D receptor agonists. Bioorg.Med.Chem., 27, 2019
|
|
3VRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vrv by Molmil](/molmil-images/mine/3vrv) | VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3 | Descriptor: | (1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K. | Deposit date: | 2012-04-14 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands J.Med.Chem., 55, 2012
|
|
3VRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vrt by Molmil](/molmil-images/mine/3vrt) | VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3 | Descriptor: | (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K. | Deposit date: | 2012-04-14 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands J.Med.Chem., 55, 2012
|
|
4H63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h63 by Molmil](/molmil-images/mine/4h63) | Structure of the Schizosaccharomyces pombe Mediator head module | Descriptor: | Mediator of RNA polymerase II transcription subunit 11, Mediator of RNA polymerase II transcription subunit 17, Mediator of RNA polymerase II transcription subunit 18, ... | Authors: | Lariviere, L, Plaschka, C, Seizl, M, Wenzeck, L, Kurth, F, Cramer, P. | Deposit date: | 2012-09-19 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of the Mediator head module. Nature, 492, 2012
|
|
5MKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mkv by Molmil](/molmil-images/mine/5mkv) | Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2) residues 13-516 | Descriptor: | 1,2-ETHANEDIOL, Dihydropyrimidinase-related protein 2 | Authors: | Sethi, R, Zheng, Y, Krojer, T, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | Deposit date: | 2016-12-05 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation. Nat Commun, 9, 2018
|
|
5MLE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mle by Molmil](/molmil-images/mine/5mle) | Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2 13-516) Mutant Y479E/Y499E | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dihydropyrimidinase-related protein 2, ... | Authors: | Sethi, R, Zheng, Y, Talon, R, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | Deposit date: | 2016-12-06 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation. Nat Commun, 9, 2018
|
|
1U0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u0w by Molmil](/molmil-images/mine/1u0w) | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases: 18xCHS+resveratrol Structure | Descriptor: | Chalcone synthase 2, RESVERATROL | Authors: | Austin, M.B, Bowman, M.E, Ferrer, J.-L, Schroder, J, Noel, J.P. | Deposit date: | 2004-07-14 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases Chem.Biol., 11, 2004
|
|
1U0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u0v by Molmil](/molmil-images/mine/1u0v) | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization of Specificity of Type III Polyketide Synthases: 18xCHS structure | Descriptor: | Chalcone synthase 2 | Authors: | Austin, M.B, Bowman, M.E, Ferrer, J.-L, Schroder, J, Noel, J.P. | Deposit date: | 2004-07-14 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases Chem.Biol., 11, 2004
|
|
2L6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l6u by Molmil](/molmil-images/mine/2l6u) | Solution NMR Structure of Med25(391-543) Comprising the Activator-Interacting Domain (ACID) of Human Mediator Subuniti 25. Northeast Structural Genomics Consortium Target HR6188A | Descriptor: | Mediator complex subunit MED25 | Authors: | Eletsky, A, Ryuechan, W.T, Sukumaran, D.K, Shastry, R, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-11-24 | Release date: | 2011-01-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of MED25(391-543) comprising the activator-interacting domain (ACID) of human mediator subunit 25. J.Struct.Funct.Genom., 12, 2011
|
|
2KY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ky6 by Molmil](/molmil-images/mine/2ky6) | Structure of ARC92VBD/MED25ACID | Descriptor: | Mediator of RNA polymerase II transcription subunit 25 | Authors: | Milbradt, A.G, Sun, Z.J, Selenko, P, Takeuchi, K, Naar, A.M, Wagner, G. | Deposit date: | 2010-05-14 | Release date: | 2011-03-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the VP16 transactivator target in the Mediator. Nat.Struct.Mol.Biol., 18, 2011
|
|
3US6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3us6 by Molmil](/molmil-images/mine/3us6) | Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt1 from Medicago truncatula | Descriptor: | Histidine-containing Phosphotransfer Protein type 1, MtHPt1 | Authors: | Ruszkowski, M, Brzezinski, K, Jedrzejczak, R, Dauter, M, Dauter, Z, Sikorski, M, Jaskolski, M. | Deposit date: | 2011-11-23 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.446 Å) | Cite: | Medicago truncatula histidine-containing phosphotransfer protein: Structural and biochemical insights into the cytokinin transduction pathway in plants. Febs J., 280, 2013
|
|
4GWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gwp by Molmil](/molmil-images/mine/4gwp) | Structure of the Mediator Head Module from S. cerevisiae | Descriptor: | Mediator of RNA polymerase II transcription subunit 11, Mediator of RNA polymerase II transcription subunit 17, Mediator of RNA polymerase II transcription subunit 18, ... | Authors: | Robinson, P.J.J, Bushnell, D.A, Trnka, M.J, Burlingame, A.L, Kornberg, R.D. | Deposit date: | 2012-09-03 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the Mediator Head module bound to the carboxy-terminal domain of RNA polymerase II. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3J1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3j1o by Molmil](/molmil-images/mine/3j1o) | |
7JMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jmn by Molmil](/molmil-images/mine/7jmn) | Tail module of Mediator complex | Descriptor: | MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ... | Authors: | Zhang, H.Q, Chen, D.C. | Deposit date: | 2020-08-02 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Mediator structure and conformation change. Mol.Cell, 81, 2021
|
|
1MVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mvz by Molmil](/molmil-images/mine/1mvz) | NMR solution structure of a Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata) | Descriptor: | Bowman-Birk type protease inhibitor, (MSTI) | Authors: | Catalano, M, Ragona, L, Molinari, H, Tava, A, Zetta, L. | Deposit date: | 2002-09-27 | Release date: | 2003-04-22 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Anticarcinogenic Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata): solution structure and analysis of self-association behaviour Biochemistry, 42, 2003
|
|
4H61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h61 by Molmil](/molmil-images/mine/4h61) | Structure of the Schizosaccharomyces pombe Mediator subunit Med6 | Descriptor: | Mediator of RNA polymerase II transcription subunit 6 | Authors: | Lariviere, L, Plaschka, C, Seizl, M, Wenzeck, L, Kurth, F, Cramer, P. | Deposit date: | 2012-09-19 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the Mediator head module. Nature, 492, 2012
|
|
4D7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d7x by Molmil](/molmil-images/mine/4d7x) | |