7WYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyw by Molmil](/molmil-images/mine/7wyw) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyt by Molmil](/molmil-images/mine/7wyt) | Crystal structures of Na+,K+-ATPase in complex with ouabain | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyv by Molmil](/molmil-images/mine/7wyv) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP in the presence of 40 mM Mg2+ | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyz by Molmil](/molmil-images/mine/7wyz) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP with ouabain | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wz0 by Molmil](/molmil-images/mine/7wz0) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate with ouabain | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wys by Molmil](/molmil-images/mine/7wys) | Crystal structures of Na+,K+-ATPase in complex with istaroxime | Descriptor: | (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.71 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vpx by Molmil](/molmil-images/mine/7vpx) | The cryo-EM structure of the human pre-A complex | Descriptor: | 5SS, DnaJ homolog subfamily C member 8, PHD finger-like domain-containing protein 5A, ... | Authors: | Zhang, X, Zhan, X, Shi, Y. | Deposit date: | 2021-10-18 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into branch site proofreading by human spliceosome. Nat.Struct.Mol.Biol., 2024
|
|
7W48
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w48 by Molmil](/molmil-images/mine/7w48) | |
7X22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x22 by Molmil](/molmil-images/mine/7x22) | Cryo-EM structure of non gastric H,K-ATPase alpha2 K794S in (2K+)E2-AlF state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Nakanishi, H, Abe, K. | Deposit date: | 2022-02-25 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and function of H + /K + pump mutants reveal Na + /K + pump mechanisms. Nat Commun, 13, 2022
|
|
7X24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x24 by Molmil](/molmil-images/mine/7x24) | Cryo-EM structure of non gastric H,K-ATPase alpha2 SPWC mutant in (2K+)E2-AlF state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Nakanishi, H, Young, V, Artigas, P. | Deposit date: | 2022-02-25 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure and function of H + /K + pump mutants reveal Na + /K + pump mechanisms. Nat Commun, 13, 2022
|
|
7X21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x21 by Molmil](/molmil-images/mine/7x21) | Cryo-EM structure of non gastric H,K-ATPase alpha2 K794A in (K+)E2-AlF state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Nakanishi, H, Abe, K. | Deposit date: | 2022-02-25 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure and function of H + /K + pump mutants reveal Na + /K + pump mechanisms. Nat Commun, 13, 2022
|
|
7ULC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ulc by Molmil](/molmil-images/mine/7ulc) | Crystal structure of queuine salvage enzyme DUF2419 mutant D231N, in complex with queuosine-5'-monophosphate | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, Queuosine salvage protein DUF2419 | Authors: | Hung, S.-H, Swairjo, M.A. | Deposit date: | 2022-04-04 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate. Nucleic Acids Res., 51, 2023
|
|
8AAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aaa by Molmil](/molmil-images/mine/8aaa) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-06-30 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
|
|
8AOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aoi by Molmil](/molmil-images/mine/8aoi) | Specific covalent inhibitor(19) of ERK2 | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ... | Authors: | Cleasby, A. | Deposit date: | 2022-08-08 | Release date: | 2022-09-28 | Last modified: | 2022-10-05 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
|
|
8AHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ahm by Molmil](/molmil-images/mine/8ahm) | Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Oliva, M.A, Diaz, J.F, Altmann, K.H. | Deposit date: | 2022-07-22 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8AQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ostermann, N. | Deposit date: | 2022-08-11 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
|
|
8AQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aq7 by Molmil](/molmil-images/mine/8aq7) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | Descriptor: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ostermann, N. | Deposit date: | 2022-08-11 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
|
|
8B2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b2t by Molmil](/molmil-images/mine/8b2t) | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | Deposit date: | 2022-09-14 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine. J.Med.Chem., 66, 2023
|
|
8AYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayo by Molmil](/molmil-images/mine/8ayo) | Open state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand JNJ-61432059 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one, ... | Authors: | Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I.H. | Deposit date: | 2022-09-02 | Release date: | 2023-04-19 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics. Nat Commun, 14, 2023
|
|
5D5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5a by Molmil](/molmil-images/mine/5d5a) | In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Liu, X, Kobilka, B, Kay Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4826 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
|
|
3ENS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ens by Molmil](/molmil-images/mine/3ens) | |
5D5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5b by Molmil](/molmil-images/mine/5d5b) | In meso X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | Authors: | Huang, C.-Y, Olieric, V, Liu, X, Kobilka, B, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
|
|
5D6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d6l by Molmil](/molmil-images/mine/5d6l) | beta2AR-T4L - CIM | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | Authors: | Ma, P, Caffrey, M. | Deposit date: | 2015-08-12 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The cubicon method for concentrating membrane proteins in the cubic mesophase. Nat Protoc, 12, 2017
|
|
5DGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dgy by Molmil](/molmil-images/mine/5dgy) | Crystal structure of rhodopsin bound to visual arrestin | Descriptor: | Endolysin,Rhodopsin,S-arrestin | Authors: | Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E. | Deposit date: | 2015-08-28 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (7.7 Å) | Cite: | X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex. Sci Data, 3, 2016
|
|
4W8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8f by Molmil](/molmil-images/mine/4w8f) | Crystal structure of the dynein motor domain in the AMPPNP-bound state | Descriptor: | Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D. | Deposit date: | 2014-08-24 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.541 Å) | Cite: | Allosteric communication in the Dynein motor domain. Cell, 159, 2014
|
|