8SI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8si6 by Molmil](/molmil-images/mine/8si6) | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in closed state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-04-14 | Release date: | 2023-05-17 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
|
|
8SI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8si5 by Molmil](/molmil-images/mine/8si5) | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in open state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-04-14 | Release date: | 2023-05-17 | Method: | ELECTRON MICROSCOPY (2.17 Å) | Cite: | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
|
|
8SIB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sib by Molmil](/molmil-images/mine/8sib) | |
8SI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8si2 by Molmil](/molmil-images/mine/8si2) | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CHOLESTEROL, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-04-14 | Release date: | 2023-05-17 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
|
|
6EOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eol by Molmil](/molmil-images/mine/6eol) | Human galectin-3c in complex with a galactose derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T. | Deposit date: | 2017-10-09 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions. ChemMedChem, 13, 2018
|
|
6VEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ven by Molmil](/molmil-images/mine/6ven) | |
6JCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jcs by Molmil](/molmil-images/mine/6jcs) | AAV5 in complex with AAVR | Descriptor: | Capsid protein, Dyslexia-associated protein KIAA0319-like protein | Authors: | Lou, Z, Zhang, R. | Deposit date: | 2019-01-30 | Release date: | 2019-08-14 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Divergent engagements between adeno-associated viruses with their cellular receptor AAVR. Nat Commun, 10, 2019
|
|
7SZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7szz by Molmil](/molmil-images/mine/7szz) | Structure of the smaller diameter PSMalpha3 nanotubes | Descriptor: | Phenol-soluble modulin PSM-alpha-3 | Authors: | Beltran, L.C, Kreutzberger, M.A, Wang, S, Egelman, E.H, Conticello, V.P. | Deposit date: | 2021-11-29 | Release date: | 2022-05-18 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Phenol-soluble modulins PSM alpha 3 and PSM beta 2 form nanotubes that are cross-alpha amyloids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6JCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jcr by Molmil](/molmil-images/mine/6jcr) | AAV1 in neutral condition at 3.07 Ang | Descriptor: | Capsid protein | Authors: | Lou, Z, Zhang, R. | Deposit date: | 2019-01-30 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Divergent engagements between adeno-associated viruses with their cellular receptor AAVR. Nat Commun, 10, 2019
|
|
6JCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jcq by Molmil](/molmil-images/mine/6jcq) | AAV1 in complex with AAVR | Descriptor: | Capsid protein, Dyslexia-associated protein KIAA0319-like protein | Authors: | Lou, Z, Zhang, R. | Deposit date: | 2019-01-30 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Divergent engagements between adeno-associated viruses with their cellular receptor AAVR. Nat Commun, 10, 2019
|
|
6JCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jct by Molmil](/molmil-images/mine/6jct) | AAV5 in neutral condition at 3.18 Ang | Descriptor: | Capsid protein | Authors: | Lou, Z, Zhang, R. | Deposit date: | 2019-01-30 | Release date: | 2019-07-31 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Divergent engagements between adeno-associated viruses with their cellular receptor AAVR. Nat Commun, 10, 2019
|
|
3OXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oxu by Molmil](/molmil-images/mine/3oxu) | Complement components factor H CCP19-20 and C3d in complex | Descriptor: | Complement C3, GLYCEROL, HF protein | Authors: | Morgan, H.P, Schmidt, C.Q, Guariento, M, Gillespie, D, Herbert, A.P, Mertens, H, Blaum, B.S, Svergun, D, Johansson, C.M, Uhrin, D, Barlow, P.N, Hannan, J.P. | Deposit date: | 2010-09-22 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for engagement by complement factor H of C3b on a self surface. Nat.Struct.Mol.Biol., 18, 2011
|
|
8DSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dsg by Molmil](/molmil-images/mine/8dsg) | P411-PFA carbene transferase | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ... | Authors: | Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Chemodivergent C(sp 3 )-H and C(sp 2 )-H Cyanomethylation Using Engineered Carbene Transferases. Nat Catal, 6, 2023
|
|
6HCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hcr by Molmil](/molmil-images/mine/6hcr) | Synthetic Self-assembling ADDomer Platform for Highly Efficient Vaccination by Genetically-encoded Multi-epitope Display | Descriptor: | Penton protein | Authors: | Bufton, J.C, Berger, I, Schaffitzel, C, Garzoni, F, Rabi, F.A. | Deposit date: | 2018-08-16 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display. Sci Adv, 5, 2019
|
|
6PX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6px7 by Molmil](/molmil-images/mine/6px7) | |
6PX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6px8 by Molmil](/molmil-images/mine/6px8) | |
8R74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r74 by Molmil](/molmil-images/mine/8r74) | Galectin-1 in complex with thiogalactoside derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1 | Authors: | Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U. | Deposit date: | 2023-11-23 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer. J.Med.Chem., 67, 2024
|
|
8R3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r3t by Molmil](/molmil-images/mine/8r3t) | Cofactor-free Tau 4R2N isoform | Descriptor: | Microtubule-associated protein tau | Authors: | Limorenko, G, Tatli, M, Kolla, R, Nazarov, S, Weil, M.T, Schondorf, D.C, Geist, D, Reinhardt, P, Ehrnhoefer, D.E, Stahlberg, H, Gasparini, L, Lashuel, H.A. | Deposit date: | 2023-11-10 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Fully co-factor-free ClearTau platform produces seeding-competent Tau fibrils for reconstructing pathological Tau aggregates. Nat Commun, 14, 2023
|
|
8E37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e37 by Molmil](/molmil-images/mine/8e37) | Structure of Campylobacter concisus wild-type SeMet PglC | Descriptor: | N,N'-diacetylbacilliosaminyl-1-phosphate transferase | Authors: | Vuksanovic, N, Ray, L.C, Imperiali, B, Allen, K.N. | Deposit date: | 2022-08-16 | Release date: | 2023-09-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble. J.Biol.Chem., 299, 2023
|
|
8PM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pm6 by Molmil](/molmil-images/mine/8pm6) | Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Bile salt export pump, CHOLESTEROL | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | Deposit date: | 2023-06-28 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP. Nat Commun, 14, 2023
|
|
8PMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pmj by Molmil](/molmil-images/mine/8pmj) | Vanadate-trapped BSEP in nanodiscs | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, ... | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | Deposit date: | 2023-06-28 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP. Nat Commun, 14, 2023
|
|
8PMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pmd by Molmil](/molmil-images/mine/8pmd) | Nucleotide-bound BSEP in nanodiscs | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, MAGNESIUM ION | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | Deposit date: | 2023-06-28 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP. Nat Commun, 14, 2023
|
|
3N9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n9x by Molmil](/molmil-images/mine/3n9x) | Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0 | Descriptor: | GLYCEROL, Phosphotransferase | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, MacKenzie, F, Kozieradzki, I, Chau, I, Lew, J, Senisterra, G, Artz, J, Amani, M, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-31 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0 To be Published
|
|
6GRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6grn by Molmil](/molmil-images/mine/6grn) | CELLOBIOHYDROLASE I (CEL7A) FROM Trichoderma reesei with S-dihydroxypropranolol in the active site | Descriptor: | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Sandgren, M, Fagerstrom, A, Widmalm, G, Stahlberg, J. | Deposit date: | 2018-06-11 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A. Chemistry, 24, 2018
|
|
6VOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vou by Molmil](/molmil-images/mine/6vou) | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-plazomicin and CoA | Descriptor: | (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide, (4S)-2-METHYL-2,4-PENTANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, ... | Authors: | Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2020-01-31 | Release date: | 2021-06-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for plazomicin antibiotic action and resistance. Commun Biol, 4, 2021
|
|