5MDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mdw by Molmil](/molmil-images/mine/5mdw) | Structure of ArfA(A18T) and RF2 bound to the 70S ribosome (pre-accommodated state) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | James, N.R, Brown, A, Gordiyenko, Y, Ramakrishnan, V. | Deposit date: | 2016-11-13 | Release date: | 2016-12-14 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Translational termination without a stop codon. Science, 354, 2016
|
|
8UVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uvl by Molmil](/molmil-images/mine/8uvl) | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
|
|
5M7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m7g by Molmil](/molmil-images/mine/5m7g) | Tubulin-MTD147 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
|
|
6Z2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z2k by Molmil](/molmil-images/mine/6z2k) | The structure of the tetrameric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex | Descriptor: | Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. | Deposit date: | 2020-05-16 | Release date: | 2020-07-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure. Nat Commun, 11, 2020
|
|
5M7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m7e by Molmil](/molmil-images/mine/5m7e) | Tubulin-BKM120 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
|
|
6Z84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z84 by Molmil](/molmil-images/mine/6z84) | CK2 alpha bound to chemical probe SGC-CK2-1 derivative | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-02 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
|
|
6X3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x3t by Molmil](/molmil-images/mine/6x3t) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus propofol | Descriptor: | 2,6-BIS(1-METHYLETHYL)PHENOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
|
|
8VYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vyx by Molmil](/molmil-images/mine/8vyx) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-410 | Descriptor: | 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6X4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x4i by Molmil](/molmil-images/mine/6x4i) | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate | Descriptor: | 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ... | Authors: | Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-05-22 | Release date: | 2020-06-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2. Commun Biol, 4, 2021
|
|
8W03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w03 by Molmil](/molmil-images/mine/8w03) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154 | Descriptor: | (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-13 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6WNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wnh by Molmil](/molmil-images/mine/6wnh) | Menin bound to inhibitor M-808 | Descriptor: | Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2020-04-22 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity. J.Med.Chem., 63, 2020
|
|
7U0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u0e by Molmil](/molmil-images/mine/7u0e) | |
8VZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vzp by Molmil](/molmil-images/mine/8vzp) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403 | Descriptor: | (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6Z0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z0o by Molmil](/molmil-images/mine/6z0o) | Structure of Affimer-NP bound to Crimean-Congo Haemorrhagic Fever Virus Nucleocapsid Protein | Descriptor: | Affimer-NP, Nucleocapsid | Authors: | Alvarez-Rodriguez, B, Tiede, C, Trinh, C, Tomlinson, D, Edwards, T.A, Barr, J.N. | Deposit date: | 2020-05-10 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5974 Å) | Cite: | Characterization and applications of a Crimean-Congo hemorrhagic fever virus nucleoprotein-specific Affimer: Inhibitory effects in viral replication and development of colorimetric diagnostic tests. Plos Negl Trop Dis, 14, 2020
|
|
8VZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vzq by Molmil](/molmil-images/mine/8vzq) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-406 | Descriptor: | (1S,2R,4S)-N-(2-fluoro-2-methylpropyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NICKEL (II) ION | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5NGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ngf by Molmil](/molmil-images/mine/5ngf) | Crystal structure of USP7 in complex with the covalent inhibitor, FT827 | Descriptor: | 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide | Authors: | Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D. | Deposit date: | 2017-03-17 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors. Nature, 550, 2017
|
|
6Z69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z69 by Molmil](/molmil-images/mine/6z69) | A novel metagenomic alpha/beta-fold esterase | Descriptor: | 7-hydroxy-4-methyl-2H-chromen-2-one, Acetyl esterase/lipase, MAGNESIUM ION, ... | Authors: | Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J. | Deposit date: | 2020-05-28 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structures of a novel family IV esterase in free and substrate-bound form. Febs J., 288, 2021
|
|
6X3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x3w by Molmil](/molmil-images/mine/6x3w) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus phenobarbital | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
|
|
8J1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j1j by Molmil](/molmil-images/mine/8j1j) | Cryo-EM structure of the AsCas12f-YHAM-sgRNAS3-5v7-target DNA | Descriptor: | DNA (38-MER), MAGNESIUM ION, RNA (118-MER), ... | Authors: | Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O. | Deposit date: | 2023-04-13 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Minimal and most efficient genome editing Cas enzyme To Be Published
|
|
8J3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j3r by Molmil](/molmil-images/mine/8j3r) | Cryo-EM structure of the AsCas12f-HKRA-sgRNAS3-5v7-target DNA | Descriptor: | DNA (37-MER), DNA (38-MER), MAGNESIUM ION, ... | Authors: | Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O. | Deposit date: | 2023-04-18 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Minimal and most efficient genome editing Cas enzyme To Be Published
|
|
6ZHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zha by Molmil](/molmil-images/mine/6zha) | Cryo-EM structure of DNA-PK monomer | Descriptor: | DNA, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5, ... | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
|
|
6WCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wcr by Molmil](/molmil-images/mine/6wcr) | |
6WDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wdb by Molmil](/molmil-images/mine/6wdb) | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure IV-A) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | Deposit date: | 2020-03-31 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading. Nature, 584, 2020
|
|
5NR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nr8 by Molmil](/molmil-images/mine/5nr8) | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a | Descriptor: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL | Authors: | Podjarny, A, Fadel, F, Golebiowski, A. | Deposit date: | 2017-04-22 | Release date: | 2018-02-21 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
|
|
6WDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wdf by Molmil](/molmil-images/mine/6wdf) | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure VI-A) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | Deposit date: | 2020-03-31 | Release date: | 2020-07-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading. Nature, 584, 2020
|
|