1UT6
| Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-12-04 | Release date: | 2005-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
|
|
5X0V
| Reduced form of regulatory domain of OxyR2 from Vibrio vulnificus | Descriptor: | CHLORIDE ION, CITRIC ACID, LysR family transcriptional regulator | Authors: | Jo, I, Ha, N.-C. | Deposit date: | 2017-01-23 | Release date: | 2017-03-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The hydrogen peroxide hypersensitivity of OxyR2 in Vibrio vulnificus depends on conformational constraints J. Biol. Chem., 292, 2017
|
|
8DQG
| Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
|
|
8DQI
| Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 2- weeks of crystal growth | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
|
|
8DQH
| Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 24 hours of crystal growth | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
|
|
8DQJ
| Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (AST) bound to ATP and acridone | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE MONOPHOSPHATE, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
|
|
8DSS
| |
7LEO
| C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and 1,2-diheptanoyl-sn-glycero-3-phosphocholine | Descriptor: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ... | Authors: | Katti, S.S, Krieger, I. | Deposit date: | 2021-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists. Nat Commun, 13, 2022
|
|
8BQF
| Adenylate Kinase L107I MUTANT | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I. | Deposit date: | 2022-11-21 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Allosteric communication between ligand binding domains modulates substrate inhibition in adenylate kinase. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7LR9
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-16 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal structure of KPC-2 T215P mutant To Be Published
|
|
8EEQ
| CryoEM structures of bAE1 captured in multiple states. | Descriptor: | Anion exchange protein | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | Deposit date: | 2022-09-07 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations. Commun Biol, 5, 2022
|
|
8E34
| CryoEM structures of bAE1 captured in multiple states | Descriptor: | Anion exchange protein | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | Deposit date: | 2022-08-16 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations. Commun Biol, 5, 2022
|
|
4O1G
| MTB adenosine kinase in complex with gamma-Thio-ATP | Descriptor: | Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION | Authors: | Dostal, J, Brynda, J, Hocek, M, Pichova, I. | Deposit date: | 2013-12-15 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
|
|
3DEO
| |
5XFV
| Crystal structures of FMN-bound form of dihydroorotate dehydrogenase from Trypanosoma brucei | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, MALONATE ION | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | Deposit date: | 2017-04-11 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei. FEBS Open Bio, 8, 2018
|
|
6J82
| Crystal structure of TleB apo | Descriptor: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Alblova, M, Nakamura, H, Mori, T, Abe, I. | Deposit date: | 2019-01-18 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019
|
|
6J88
| Crystal structure of HinD with benzo[b]thiophen analog | Descriptor: | N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide, Nocardicin N-oxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fei, H, Mori, T, Abe, I. | Deposit date: | 2019-01-18 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019
|
|
8DQN
| |
8DQM
| |
6ZUQ
| Crystal structure of the effector Ecp11-1 from Fulvia fulva | Descriptor: | Extracellular protein 11-1, GLYCEROL, ZINC ION | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-07-23 | Release date: | 2021-08-04 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
|
|
6ZUS
| Crystal structure of the effector Ecp11-1 from Fulvia fulva | Descriptor: | DI(HYDROXYETHYL)ETHER, Extracellular protein 11-1, GLYCEROL, ... | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-07-23 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
|
|
5XQW
| Catalytic antibody 7B9 | Descriptor: | Fab fragment of catalytic antibody 7B9, heavy chain, light chain, ... | Authors: | Ito, N, Fujii, I, Tsumuraya, T. | Deposit date: | 2017-06-07 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the broad substrate tolerance of the antibody 7B9-catalyzed hydrolysis of p-nitrobenzyl esters. Bioorg. Med. Chem., 26, 2018
|
|
5X9K
| |
8DNN
| Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ... | Authors: | Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P. | Deposit date: | 2022-07-11 | Release date: | 2023-05-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo. Sci Transl Med, 15, 2023
|
|
8BGF
| |