8BRQ
 
 | | Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
|
|
8BRR
 | | Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
|
|
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
|
|
2V31
 | | Structure of First Catalytic Cysteine Half-domain of mouse ubiquitin- activating enzyme | | Descriptor: | UBIQUITIN-ACTIVATING ENZYME E1 X | | Authors: | Jaremko, L, Jaremko, M, Wojciechowski, W, Filipek, R, Szczepanowski, R.H, Bochtler, M, Zhukov, I. | | Deposit date: | 2007-06-11 | | Release date: | 2008-06-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of First Catalytic Cysteine Half-Domain of Mouse Ubiquitin-Activating Enzyme
To be Published
|
|
4EGO
 | | The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid | | Descriptor: | 1H-indole-6-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | | Deposit date: | 2012-03-31 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
|
|
5XMC
 | |
4EGM
 | | The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid | | Descriptor: | 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | | Deposit date: | 2012-03-31 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
|
|
4J4X
 | | Crystal structure of GraVN | | Descriptor: | NP protein | | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
|
|
4ISW
 | | Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-17 | | Release date: | 2013-12-11 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
Bioorg.Chem., 52C, 2013
|
|
4E45
 | | Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM | | Descriptor: | Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ... | | Authors: | Fox III, D, Zhao, Y, Yang, W, Weidong, W. | | Deposit date: | 2012-03-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
|
|
4IW7
 | | Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis. | | Descriptor: | 8-amino-7-oxononanoate synthase | | Authors: | Newcomb, W, Niedzialkowska, E, Porebski, P.J, Grimshaw, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-23 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis.
To be Published
|
|
4IXU
 | | Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
8XFY
 | | The Crystal Structure of RSK2 from Biortus. | | Descriptor: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3 | | Authors: | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | | Deposit date: | 2023-12-14 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Crystal Structure of RSK2 from Biortus.
To Be Published
|
|
4DO1
 | | The crystal structures of 4-methoxybenzoate bound CYP199A4 | | Descriptor: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L. | | Deposit date: | 2012-02-09 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
|
|
8E4O
 | | The closed C1-state mouse TRPM8 structure in complex with putative PI(4,5)P2 | | Descriptor: | Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. | | Deposit date: | 2022-08-18 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
|
|
8E4N
 | | The closed C1-state mouse TRPM8 structure in complex with PI(4,5)P2 | | Descriptor: | Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. | | Deposit date: | 2022-08-18 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
|
|
8E4L
 | | The open state mouse TRPM8 structure in complex with the cooling agonist C3, AITC, and PI(4,5)P2 | | Descriptor: | 3-isothiocyanatoprop-1-ene, CALCIUM ION, Transient receptor potential cation channel subfamily M member 8, ... | | Authors: | Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. | | Deposit date: | 2022-08-18 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
|
|
8DVR
 | | Cryo-EM structure of RIG-I bound to the end of p3SLR30 (+AMPPNP) | | Descriptor: | Antiviral innate immune response receptor RIG-I, GUANOSINE-5'-TRIPHOSPHATE, ZINC ION, ... | | Authors: | Wang, W, Pyle, A.M. | | Deposit date: | 2022-07-29 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands.
Mol.Cell, 82, 2022
|
|
8E4Q
 | | The closed C0-state flycatcher TRPM8 structure in complex with PI(4,5)P2 | | Descriptor: | Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. | | Deposit date: | 2022-08-18 | | Release date: | 2022-10-26 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
|
|
8E4P
 | | Mouse TRPM8 structure determined in the ligand- and PI(4,5)P2-free condition, Class I , C0 state | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8 | | Authors: | Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. | | Deposit date: | 2022-08-18 | | Release date: | 2022-10-26 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
|
|
8DVS
 | | Cryo-EM structure of RIG-I bound to the end of OHSLR30 (+ATP) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, MAGNESIUM ION, ... | | Authors: | Wang, W, Pyle, A.M. | | Deposit date: | 2022-07-29 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands.
Mol.Cell, 82, 2022
|
|
8E4M
 | | The intermediate C2-state mouse TRPM8 structure in complex with the cooling agonist C3 and PI(4,5)P2 | | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | Authors: | Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. | | Deposit date: | 2022-08-18 | | Release date: | 2022-10-26 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
|
|
8DVU
 | |
8DP6
 | |
8DP7
 | |
