8YSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ysx by Molmil](/molmil-images/mine/8ysx) | canine immunoproteasome 20S subunit in complex with compound 2 | Descriptor: | Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-24 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
|
|
8VJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vjr by Molmil](/molmil-images/mine/8vjr) | |
8XI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xi9 by Molmil](/molmil-images/mine/8xi9) | Crystal structure of FRB-FKBP fusion protein in complex with rapamycin | Descriptor: | FRB-FKBP fusion protein, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | Authors: | Inobe, T, Sakaguchi, R, Obita, T, Mukaiyama, A, Yokoyama, T, Mizuguchi, M, Akiyama, S. | Deposit date: | 2023-12-19 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into rapamycin-induced oligomerization of a FRB-FKBP fusion protein. Febs Lett., 2024
|
|
8Y0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y0w by Molmil](/molmil-images/mine/8y0w) | dormant ribosome with eIF5A, eEF2 and SERBP1 | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Du, M, Zeng, F. | Deposit date: | 2024-01-23 | Release date: | 2024-02-07 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Implication of Stm1 in the protection of eIF5A, eEF2 and tRNA through dormant ribosomes. Front Mol Biosci, 11, 2024
|
|
9BFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bfy by Molmil](/molmil-images/mine/9bfy) | Tri-complex of Compound-12, KRAS G12C, and CypA | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
|
|
9CK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ck3 by Molmil](/molmil-images/mine/9ck3) | Cryo-EM structure of in-vitro alpha-synuclein fibril | Descriptor: | Alpha-synuclein | Authors: | Sanchez, J.C, Borcik, C.G, Tonelli, M, Sibert, B, Rienstra, C.M, Wright, E.R. | Deposit date: | 2024-07-08 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.04 Å) | Cite: | Multimodal High-Resolution Structure Determination Of Alpha-Synuclein Fibrils To Be Published
|
|
8WBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wbk by Molmil](/molmil-images/mine/8wbk) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] | Descriptor: | Epoxide hydrolase, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
|
|
8W3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w3w by Molmil](/molmil-images/mine/8w3w) | Crystal structure of IRAK4 in complex with compound 4 | Descriptor: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Knafels, J.D. | Deposit date: | 2024-02-22 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833). Acs Med.Chem.Lett., 15, 2024
|
|
9BG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bg1 by Molmil](/molmil-images/mine/9bg1) | Tri-complex of Compound-3, KRAS G12V, and CypA | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
|
|
8WZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wzp by Molmil](/molmil-images/mine/8wzp) | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | Authors: | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024
|
|
8VCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vcn by Molmil](/molmil-images/mine/8vcn) | GluER mutant - W66F F269Y Q293T F68Y T36E P263L | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Jeffrey, P.D, Sorigue, D.R, Liu, Y, Hyster, T.K. | Deposit date: | 2023-12-14 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins. J.Am.Chem.Soc., 146, 2024
|
|
8X2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x2r by Molmil](/molmil-images/mine/8x2r) | The Crystal Structure of HSP 90-alpha from Biortus. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Crystal Structure of HSP 90-alpha from Biortus. To Be Published
|
|
9EUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9eue by Molmil](/molmil-images/mine/9eue) | The FK1 domain of FKBP51 in complex with SAFit-analog 23a | Descriptor: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
|
|
8VI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vi4 by Molmil](/molmil-images/mine/8vi4) | TehA from Haemophilus influenzae purified in LMNG | Descriptor: | Tellurite resistance protein TehA homolog | Authors: | Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G. | Deposit date: | 2024-01-03 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy. Int J Mol Sci, 25, 2024
|
|
9AT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9at6 by Molmil](/molmil-images/mine/9at6) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
|
|
9F1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f1t by Molmil](/molmil-images/mine/9f1t) | |
8WFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wfi by Molmil](/molmil-images/mine/8wfi) | |
8X1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x1w by Molmil](/molmil-images/mine/8x1w) | CYP725A4 apo structure | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase | Authors: | Chang, Z, Wang, Q. | Deposit date: | 2023-11-09 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses. Acs Catalysis, 14, 2024
|
|
8VGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vgc by Molmil](/molmil-images/mine/8vgc) | Complex of ExbD with D-box peptide: Orthorhombic form | Descriptor: | Biopolymer transport protein ExbD, GLN-PRO-ILE-SER-VAL-THR-MET-VAL-THR-PRO | Authors: | Loll, P.J. | Deposit date: | 2023-12-27 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery and structural characterization of the D-box, a conserved TonB motif that couples an inner-membrane motor to outer-membrane transport. J.Biol.Chem., 300, 2024
|
|
8VTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vtk by Molmil](/molmil-images/mine/8vtk) | |
8X35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x35 by Molmil](/molmil-images/mine/8x35) | Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form A) | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S. | Deposit date: | 2023-11-12 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato. Chembiochem, 25, 2024
|
|
9ATJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9atj by Molmil](/molmil-images/mine/9atj) | Crystal structure of MERS 3CL protease in complex with a m-chlorobenzyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
|
|
8X2S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x2s by Molmil](/molmil-images/mine/8x2s) | The Crystal Structure of BPGM from Biortus | Descriptor: | 1,2-ETHANEDIOL, Bisphosphoglycerate mutase | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of BPGM from Biortus To Be Published
|
|
8Z1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8z1l by Molmil](/molmil-images/mine/8z1l) | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant atomoxetine in an outward-open state at resolution of 3.4 angstrom. | Descriptor: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2024-04-11 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 2024
|
|
8XXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xxq by Molmil](/molmil-images/mine/8xxq) | Structural of methylmalonate semialdehyde dehydrogenase ALDH6A1 | Descriptor: | Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial | Authors: | Su, G, Xu, Y, Luan, X. | Deposit date: | 2024-01-18 | Release date: | 2024-08-07 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Structural and biochemical basis of methylmalonate semialdehyde dehydrogenase ALDH6A1 Medicine Plus, 1, 2024
|
|