6YZJ
 
 | | Closo-carborane ethyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane ethyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
4UJD
 | | mammalian 80S HCV-IRES initiation complex with eIF5B PRE-like state | | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN ES1, ... | | Authors: | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-30 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Structure of the Mammalian 80S Initiation Complex with Eif5B on Hcv Ires
Nat.Struct.Mol.Biol., 21, 2014
|
|
6YZO
 | | Carborane closo-hexyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6YZW
 | | Carborane closo-hexyl-sulfonamide in complex with CA II | | Descriptor: | Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6YZU
 | | Carborane nido-pentyl-sulfonamide in complex with CA II | | Descriptor: | Carbonic anhydrase 2, Carborane nido-pentyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6Z4B
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045 | | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, SULFATE ION, ... | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2020-05-25 | | Release date: | 2020-11-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
|
|
4UQK
 | | Electron density map of GluA2em in complex with quisqualate and LY451646 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2 | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-24 | | Release date: | 2014-08-13 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (16.4 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
|
|
4UCT
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
|
|
6YZM
 | | Carborane nido-pentyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane nido-pentyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6YZQ
 | | Carborane closo-butyl-sulfonamide in complex with CA II | | Descriptor: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6YZX
 | | Carborane nido-hexyl-sulfonamide in complex with CA II | | Descriptor: | Carbonic anhydrase 2, Carborane nido-hexyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
4UOK
 | | Electron Cryo-microscopy of Venezuelan Equine Encephalitis Virus TC-83 in complex with neutralizing antibody Fab 3B4C-4 | | Descriptor: | FAB FRAGMENT HEAVY CHAIN, FAB FRAGMENT LIGHT CHAIN | | Authors: | Porta, J, Jose, J, Roehrig, J.T, Blair, C.D, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2014-06-04 | | Release date: | 2014-09-17 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Locking and blocking the viral landscape of an alphavirus with neutralizing antibodies.
J.Virol., 88, 2014
|
|
4UQ6
 | | Electron density map of GluA2em in complex with LY451646 and glutamate | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-20 | | Release date: | 2014-08-13 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (12.8 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
|
|
6YVV
 | | Condensin complex from S.cerevisiae ATP-free apo bridged state | | Descriptor: | Condensin complex subunit 1,Ycs4, Condensin complex subunit 2,Brn1, Structural maintenance of chromosomes protein 2,Structural maintenance of chromosomes protein 2, ... | | Authors: | Lee, B.-G, Cawood, C, Gutierrez-Escribano, P, Nakane, T, Merkel, F, Hassler, M, Haering, C.H, Aragon, L, Lowe, J. | | Deposit date: | 2020-04-28 | | Release date: | 2020-07-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism.
Nat.Struct.Mol.Biol., 27, 2020
|
|
4UCV
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
|
|
4UNK
 | | Crystal structure of human triosephosphate isomerase (mutant N15D) | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J. | | Deposit date: | 2014-05-29 | | Release date: | 2015-02-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Triosephosphate Isomerase (Mutant N15D)
To be Published
|
|
6YZN
 | | Closo-carborane butyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6YZT
 | | Closo-carborane propyl-sulfonamide in complex with CA II | | Descriptor: | Carbonic anhydrase 2, Carborane propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6Z04
 | | Nido-carborane butyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
9BEW
 | |
9BER
 | | Cryo-EM structure of the HIV-1 JR-FL IDL Env trimer in complex with PGT122 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2024-04-16 | | Release date: | 2024-07-31 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Design of soluble HIV-1 envelope trimers free of covalent gp120-gp41 bonds with prevalent native-like conformation.
Cell Rep, 43, 2024
|
|
4UJC
 | | mammalian 80S HCV-IRES initiation complex with eIF5B POST-like state | | Descriptor: | 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES1, ... | | Authors: | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-30 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | Structure of the Mammalian 80S Initiation Complex with Initiation Factor 5B on Hcv-Ires RNA.
Nat.Struct.Mol.Biol., 21, 2014
|
|
6YU5
 | | Crystal structure of MhsT in complex with L-valine | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ... | | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
|
|
9B2H
 | | HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group | | Descriptor: | 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2024-03-15 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies.
Org.Biomol.Chem., 22, 2024
|
|
4UNL
 | | Crystal structure of a single mutant (N71D) of triosephosphate isomerase from human | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J. | | Deposit date: | 2014-05-29 | | Release date: | 2015-02-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of a Single Mutant (N71D) of Triosephosphate Isomerase from Human
To be Published
|
|
