7C61
 
 | | Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex | | Descriptor: | 5-hydroxytryptamine receptor 1B,Soluble cytochrome b562,5-hydroxytryptamine receptor 1B, Ergotamine, IGG HEAVY CHAIN, ... | | Authors: | Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
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5XD3
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP (I) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
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5J27
 | | HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide | | Descriptor: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha | | Authors: | Amaral, M, Matias, P. | | Deposit date: | 2016-03-29 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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3MRI
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant | | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant
To be Published
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7LA4
 | | Integrin AlphaIIbBeta3-PT25-2 Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bush, M.W, Walz, T, Coller, B, Filizola, M, Spasic, A, Nesic, D, Li, J. | | Deposit date: | 2021-01-05 | | Release date: | 2022-01-12 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Electron microscopy shows that binding of monoclonal antibody PT25-2 primes integrin alpha IIb beta 3 for ligand binding.
Blood Adv, 5, 2021
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5FOL
 | | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA) | | Descriptor: | 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | | Deposit date: | 2015-11-24 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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3V66
 | | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid | | Descriptor: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N. | | Deposit date: | 2011-12-18 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20, 2012
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3MSL
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6SBQ
 | | The crystal structure of PfA-M1 in complex with 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one | | Descriptor: | DI(HYDROXYETHYL)ETHER, M1-family alanyl aminopeptidase, MALONATE ION, ... | | Authors: | Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S. | | Deposit date: | 2019-07-22 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation.
Bioorg.Chem., 98, 2020
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5FOM
 | | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426 | | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | | Deposit date: | 2015-11-24 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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3N31
 | | Crystal Structure of the complex of type I ribosome inactivating protein with fucose at 2.1A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein, ... | | Authors: | Kushwaha, G.S, Pandey, N, Perbandt, M, Betzel, C, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal Structure of the complex of type I ribosome inactivating protein with fucose at 2.1A resolution
To be Published
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1J0D
 | | ACC deaminase mutant complexed with ACC | | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID | | Authors: | Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I. | | Deposit date: | 2002-11-12 | | Release date: | 2003-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction
J.BIOL.CHEM., 278, 2003
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5J9X
 | | HSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide | | Descriptor: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide | | Authors: | Amaral, M, Matias, P. | | Deposit date: | 2016-04-11 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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2Q89
 | | Crystal structure of EhuB in complex with hydroxyectoine | | Descriptor: | (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CADMIUM ION, Putative ABC transporter amino acid-binding protein | | Authors: | Hanekop, N, Hoeing, M, Sohn-Bosser, L, Jebbar, M, Schmitt, L, Bremer, E. | | Deposit date: | 2007-06-09 | | Release date: | 2008-01-01 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the ligand-binding protein EhuB from Sinorhizobium meliloti reveals substrate recognition of the compatible solutes ectoine and hydroxyectoine.
J.Mol.Biol., 374, 2007
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5FGD
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3UK6
 | | Crystal Structure of the Tip48 (Tip49b) hexamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 2 | | Authors: | Petukhov, M, Dagkessamanskaja, A, Bommer, M, Barrett, T, Tsaneva, I, Yakimov, A, Queval, R, Shvetsov, A, Khodorkovskiy, M, Kas, E, Grigoriev, M. | | Deposit date: | 2011-11-09 | | Release date: | 2012-07-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Large-Scale Conformational Flexibility Determines the Properties of AAA+ TIP49 ATPases.
Structure, 20, 2012
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5XD5
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP, magnesium fluoride and phosphate | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ... | | Authors: | Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
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3MYU
 | | Mycoplasma genitalium MG289 | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, ACETATE ION, High affinity transport system protein p37 | | Authors: | Sippel, K.H, Boehlein, S.K, Govindasamy, L, Namiki, K, Satai, Y, Quirit, J.G, Agbandje-McKenna, M, Goodison, S, Rosser, C.J, Sankaran, B, McKenna, R. | | Deposit date: | 2010-05-11 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insights into Mycoplasma genitalium metabolism revealed by the structure of MG289, an extracytoplasmic thiamine binding lipoprotein.
Proteins, 79, 2011
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4LAU
 | | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-20 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.843 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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4LBR
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-21 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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7CTS
 | | Open form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Alpha/beta hydrolase family protein, BICINE, ... | | Authors: | Emori, M, Numoto, N, Senga, A, Bekker, G.J, Kamiya, N, Ito, N, Kawai, F, Oda, M. | | Deposit date: | 2020-08-20 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural basis of mutants of PET-degrading enzyme from Saccharomonospora viridis AHK190 with high activity and thermal stability.
Proteins, 89, 2021
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5JIJ
 | | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase (APO form). | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase | | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2016-04-22 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
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5FGI
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8QHC
 | | Cryo-EM structure of SidH from Legionella pneumophila in complex with LubX | | Descriptor: | E3 ubiquitin--protein ligase, Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sharma, R, Adams, M, Bhogaraju, S. | | Deposit date: | 2023-09-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023
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5UPT
 | | Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand | | Descriptor: | (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2017-02-03 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
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