8WEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wey by Molmil](/molmil-images/mine/8wey) | PSI-LHCI of the red alga Cyanidium caldarium RK-1 (NIES-2137) | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R} )-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | Authors: | Kato, K, Hamaguchi, T, Nakajima, Y, Kawakami, K, Yonekura, K, Shen, J.R, Nagao, R. | Deposit date: | 2023-09-19 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (1.92 Å) | Cite: | The structure of PSI-LHCI from Cyanidium caldarium provides evolutionary insights into conservation and diversity of red-lineage LHCs. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8W9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w9w by Molmil](/molmil-images/mine/8w9w) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
|
|
8XJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xjo by Molmil](/molmil-images/mine/8xjo) | U46619 bound Thromboxane A2 receptor-Gq Protein Complex | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | Authors: | Zhang, X, Li, X, Liu, G, Gong, W. | Deposit date: | 2023-12-21 | Release date: | 2024-02-28 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural basis for ligand recognition and activation of the prostanoid receptors. Cell Rep, 43, 2024
|
|
8ETO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eto by Molmil](/molmil-images/mine/8eto) | Co-crystal structure of Chaetomium glucosidase with compound 25 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-17 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
|
|
8EOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eoi by Molmil](/molmil-images/mine/8eoi) | Structure of a human EMC:human Cav1.2 channel complex in GDN detergent | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L. | Deposit date: | 2022-10-03 | Release date: | 2023-05-24 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | EMC chaperone-Ca V structure reveals an ion channel assembly intermediate. Nature, 619, 2023
|
|
8EX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ex6 by Molmil](/molmil-images/mine/8ex6) | Human S1P transporter Spns2 in an inward-facing open conformation (state 1*) | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | Deposit date: | 2022-10-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate. Cell, 186, 2023
|
|
8EX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ex4 by Molmil](/molmil-images/mine/8ex4) | Human S1P transporter Spns2 in an inward-facing open conformation (state 1) | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | Deposit date: | 2022-10-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate. Cell, 186, 2023
|
|
8FO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fo4 by Molmil](/molmil-images/mine/8fo4) | |
8FY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fy7 by Molmil](/molmil-images/mine/8fy7) | SARS-CoV-2 main protease in complex with covalent inhibitor | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Authors: | Fried, W, Chen, X.S. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
|
|
8FAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fai by Molmil](/molmil-images/mine/8fai) | Cryo-EM structure of the Agrobacterium T-pilus | Descriptor: | (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate, Protein virB2 | Authors: | Kreida, S, Narita, A, Johnson, M.D, Tocheva, E.I, Das, A, Jensen, G.J, Ghosal, D. | Deposit date: | 2022-11-27 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly. Structure, 31, 2023
|
|
8GT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gt6 by Molmil](/molmil-images/mine/8gt6) | human STING With agonist HB3089 | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein | Authors: | Wang, Z, Yu, X. | Deposit date: | 2022-09-07 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation. Cell Discov, 8, 2022
|
|
8GZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gz2 by Molmil](/molmil-images/mine/8gz2) | Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin | Descriptor: | (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ... | Authors: | Li, Y, Jiang, D. | Deposit date: | 2022-09-24 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin. Nat Commun, 14, 2023
|
|
8FIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fic by Molmil](/molmil-images/mine/8fic) | Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8GK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gk3 by Molmil](/molmil-images/mine/8gk3) | Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate | Descriptor: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Liu, J, Scott, E.E. | Deposit date: | 2023-03-16 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate. J.Biol.Chem., 299, 2023
|
|
8GLE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gle by Molmil](/molmil-images/mine/8gle) | Crystal Structure of Human CD1b in Complex with Lysosulfatide | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shahine, A. | Deposit date: | 2023-03-22 | Release date: | 2023-09-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms. Cell, 186, 2023
|
|
8FID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fid by Molmil](/molmil-images/mine/8fid) | Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8G6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g6f by Molmil](/molmil-images/mine/8g6f) | Structure of the Plasmodium falciparum 20S proteasome beta-6 A117D mutant complexed with inhibitor WLW-vs | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, Proteasome endopeptidase complex, Proteasome subunit alpha type-1, ... | Authors: | Hsu, H.-C, Li, H. | Deposit date: | 2023-02-15 | Release date: | 2023-12-20 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors. Nat Commun, 14, 2023
|
|
8GDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gda by Molmil](/molmil-images/mine/8gda) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | Descriptor: | (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7KIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kia by Molmil](/molmil-images/mine/7kia) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
|
|
7KSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ksa by Molmil](/molmil-images/mine/7ksa) | Crystal structure of human CYP3A4 with the caged inhibitor | Descriptor: | (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.S. | Deposit date: | 2020-11-21 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4. J.Am.Chem.Soc., 143, 2021
|
|
7KPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kpt by Molmil](/molmil-images/mine/7kpt) | Crystal structure of CtdE in complex with FAD and substrate 4 | Descriptor: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Zhao, B, Hu, L. | Deposit date: | 2020-11-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins. Nat Commun, 12, 2021
|
|
7L6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l6x by Molmil](/molmil-images/mine/7l6x) | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to GNE-371 | Descriptor: | 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit 1 | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-12-24 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
|
|
7LID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lid by Molmil](/molmil-images/mine/7lid) | |
7LHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lhv by Molmil](/molmil-images/mine/7lhv) | Structure of Arabidopsis thaliana sulfate transporter AtSULTR4;1 | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SULFATE ION, ... | Authors: | Wang, L, Chen, K, Zhou, M. | Deposit date: | 2021-01-26 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Structure and function of an Arabidopsis thaliana sulfate transporter. Nat Commun, 12, 2021
|
|
7LXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lxa by Molmil](/molmil-images/mine/7lxa) | T4 lysozyme mutant L99A | Descriptor: | (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|