7EW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ew3 by Molmil](/molmil-images/mine/7ew3) | Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes. Cell Res., 32, 2022
|
|
7DZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dz9 by Molmil](/molmil-images/mine/7dz9) | MbnABC complex | Descriptor: | FE (III) ION, MbnA, MbnB, ... | Authors: | Chao, D, Dan, Z, Yijun, G, Wei, C. | Deposit date: | 2021-01-25 | Release date: | 2022-03-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
|
|
7FC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fc0 by Molmil](/molmil-images/mine/7fc0) | Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII) | Descriptor: | FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ... | Authors: | Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C. | Deposit date: | 2021-07-13 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.643 Å) | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
|
|
7C9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c9o by Molmil](/molmil-images/mine/7c9o) | Crystal structure of DNA-bound CCT/NF-YB/YC complex (HD1CCT/GHD8/OsNF-YC2) | Descriptor: | DNA (25-MER), Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2, ... | Authors: | Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P. | Deposit date: | 2020-06-06 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering. Plant Cell, 32, 2020
|
|
7C9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c9p by Molmil](/molmil-images/mine/7c9p) | Crystal structure of rice histone-fold dimer GHD8/OsNF-YC2 | Descriptor: | Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2 | Authors: | Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P. | Deposit date: | 2020-06-06 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering. Plant Cell, 32, 2020
|
|
7EW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ew7 by Molmil](/molmil-images/mine/7ew7) | Cryo-EM structure of SEW2871-bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
|
|
7EW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ew1 by Molmil](/molmil-images/mine/7ew1) | Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
|
|
7EW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ew0 by Molmil](/molmil-images/mine/7ew0) | Cryo-EM structure of ozanimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yuan, Y, Jia, G.W, Su, Z.M, Shao, Z.H. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
|
|
7EVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7evz by Molmil](/molmil-images/mine/7evz) | Cryo-EM structure of cenerimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
|
|
7EVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7evy by Molmil](/molmil-images/mine/7evy) | Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
|
|
6KNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6knz by Molmil](/molmil-images/mine/6knz) | Crystal structure of T2R-TTL-KXO1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide, CALCIUM ION, ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2019-08-07 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.475 Å) | Cite: | Reversible binding of the anticancer drug KXO1 (tirbanibulin) to the colchicine-binding site of beta-tubulin explains KXO1's low clinical toxicity. J.Biol.Chem., 294, 2019
|
|
7FEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fee by Molmil](/molmil-images/mine/7fee) | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | Authors: | Wang, X, Zhao, C, Shao, Z. | Deposit date: | 2021-07-19 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
|
|
3K27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k27 by Molmil](/molmil-images/mine/3k27) | Complex structure of EED and trimethylated H3K9 | Descriptor: | HISTONE PEPTIDE, Polycomb protein EED | Authors: | Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-29 | Release date: | 2009-12-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
7VHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vhq by Molmil](/molmil-images/mine/7vhq) | Structural insights into the membrane microdomain organization by SPFH family proteins | Descriptor: | ATP-dependent zinc metalloprotease FtsH, Modulator of FtsH protease HflC, Protein HflK | Authors: | Ma, C.Y, Wang, C.K, Luo, D.Y, Yan, L, Yang, W.X, Li, N.N, Gao, N. | Deposit date: | 2021-09-22 | Release date: | 2022-01-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural insights into the membrane microdomain organization by SPFH family proteins. Cell Res., 32, 2022
|
|
3OUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ouh by Molmil](/molmil-images/mine/3ouh) | PHD2-R127 with JNJ41536014 | Descriptor: | 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ... | Authors: | Kim, H, Clark, R. | Deposit date: | 2010-09-14 | Release date: | 2010-12-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. ACS Med Chem Lett, 1, 2010
|
|
3OUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oui by Molmil](/molmil-images/mine/3oui) | PHD2-R717 with 40787422 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | Authors: | Arakaki, T.L, Kim, H. | Deposit date: | 2010-09-14 | Release date: | 2010-12-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. ACS Med Chem Lett, 1, 2010
|
|
3OUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ouj by Molmil](/molmil-images/mine/3ouj) | PHD2 with 2-Oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, Egl nine homolog 1, FE (II) ION, ... | Authors: | Staker, B.L, Arakaki, T.L. | Deposit date: | 2010-09-14 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. ACS Med Chem Lett, 1, 2010
|
|
6WFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wfn by Molmil](/molmil-images/mine/6wfn) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
6WF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wf3 by Molmil](/molmil-images/mine/6wf3) | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | Descriptor: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
6WFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wfk by Molmil](/molmil-images/mine/6wfk) | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
6WF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wf5 by Molmil](/molmil-images/mine/6wf5) | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
6WFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wfg by Molmil](/molmil-images/mine/6wfg) | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
6WFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wfo by Molmil](/molmil-images/mine/6wfo) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
7VHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vhp by Molmil](/molmil-images/mine/7vhp) | Structural insights into the membrane microdomain organization by SPFH family proteins | Descriptor: | ATP-dependent zinc metalloprotease FtsH, Modulator of FtsH protease HflC, Protein HflK | Authors: | Ma, C.Y, Wang, C.K, Luo, D.Y, Yan, L, Yang, W.X, Li, N.N, Gao, N. | Deposit date: | 2021-09-22 | Release date: | 2022-03-23 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural insights into the membrane microdomain organization by SPFH family proteins. Cell Res., 32, 2022
|
|
6MBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mbq by Molmil](/molmil-images/mine/6mbq) | Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K. | Deposit date: | 2018-08-30 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
|
|