8YNW
 
 | | S102A mutant of poly(3-hydroxybutyrate) depolymerase PhaZ from Bacillus thuringiensis | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Poly(3-hydroxybutyrate) depolymerase | | 著者 | Wang, Y.L, Ye, L.C, Chen, S.C, Hsu, C.H. | | 登録日 | 2024-03-12 | | 公開日 | 2024-12-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural insight into the poly(3-hydroxybutyrate) hydrolysis by intracellular PHB depolymerase from Bacillus thuringiensis.
Int.J.Biol.Macromol., 284, 2024
|
|
7NZN
 | | Structure of RET kinase domain bound to inhibitor JB-48 | | 分子名称: | 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | | 著者 | Briggs, D.C, McDonald, N.Q. | | 登録日 | 2021-03-24 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
J.Med.Chem., 65, 2022
|
|
7TGF
 | |
6VBQ
 | |
7OJE
 | | Crystal structure of the covalent complex between Tribolium castaneum deubiquitinase ZUP and Ubiquitin-PA | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Lys-63-specific deubiquitinase ZUFSP, ... | | 著者 | Pichlo, C, Hermanns, T, Hofmann, K, Baumann, U. | | 登録日 | 2021-05-14 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family.
Nat Commun, 13, 2022
|
|
6VB9
 | | Covalent adduct of cis-2,3-epoxysuccinic acid with Isocitrate Lyase-1 from Mycobacterium tuberculosis | | 分子名称: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Isocitrate lyase, ... | | 著者 | Krieger, I.V, Pham, T.V, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2019-12-18 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.881 Å) | | 主引用文献 | Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
|
|
7SQL
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with a weak small molecule inhibitor | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide, ... | | 著者 | Mashayekh, S, Stunkard, L.M, Kienle, M, Mathews, I.I, Khosla, C. | | 登録日 | 2021-11-05 | | 公開日 | 2022-10-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Based Prototyping of Allosteric Inhibitors of Human Uridine/Cytidine Kinase 2 (UCK2).
Biochemistry, 61, 2022
|
|
7TB1
 | |
7TGI
 | | Single-domain VHH intrabodies neutralize ricin toxin | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Ricin chain A, ... | | 著者 | Rudolph, M.J. | | 登録日 | 2022-01-07 | | 公開日 | 2022-10-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | | 主引用文献 | Single-domain antibodies neutralize ricin toxin intracellularly by blocking access to ribosomal P-stalk proteins.
J.Biol.Chem., 298, 2022
|
|
6XAM
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) | | 分子名称: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ... | | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | 登録日 | 2020-06-04 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.481 Å) | | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
|
|
8Z2L
 | |
8TWJ
 | | AvrB_R266A bound with UDP | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence protein B, ... | | 著者 | Peng, W, Orth, K. | | 登録日 | 2023-08-21 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Pseudomonas effector AvrB is a glycosyltransferase that rhamnosylates plant guardee protein RIN4.
Sci Adv, 10, 2024
|
|
8Z2U
 | | Crystal structure of trehalose synthase mutamt E324D from Deinococcus radiodurans complexed with validoxylamine A (VAA) | | 分子名称: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Ye, L.C, Chen, S.C. | | 登録日 | 2024-04-13 | | 公開日 | 2025-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
|
|
6MTR
 | | Crystal structure of VRC43.01 Fab | | 分子名称: | Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain | | 著者 | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | 登録日 | 2018-10-21 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
|
|
7Q2I
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine | | 分子名称: | 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium | | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
|
|
7OC8
 | | Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | 著者 | Haataja, T, Sandgren, M, Stahlberg, J. | | 登録日 | 2021-04-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
|
|
6XCT
 | |
6VBO
 | |
8U5J
 | | Structure of Mango III variant aptamer bound to T01-07M-B | | 分子名称: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, DIMETHYL SULFOXIDE, Mango III variant, ... | | 著者 | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | 登録日 | 2023-09-12 | | 公開日 | 2024-03-27 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Symmetry breaking of fluorophore binding to a G-quadruplex generates an RNA aptamer with picomolar KD.
Nucleic Acids Res., 52, 2024
|
|
8Z2T
 | | Crystal structure of trehalose synthase from Deinococcus radiodurans complexed with validoxylamine A (VAA) | | 分子名称: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Ye, L.C, Chen, S.C. | | 登録日 | 2024-04-13 | | 公開日 | 2025-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
|
|
6XD2
 | | Porcine pepsin in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Pepsin A | | 著者 | Vuksanovic, N, Silvaggi, N.R. | | 登録日 | 2020-06-09 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Porcine pepsin in complex with darunavir
To Be Published
|
|
6S2D
 | |
7OFL
 | | Crystal structure of the sesquiterpene synthase Copu9 from coniophora puteana in complex with alendronate | | 分子名称: | 1,2-ETHANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | | 著者 | Dimos, N, Loll, B. | | 登録日 | 2021-05-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Biotechnological potential and initial characterization of two novel sesquiterpene synthases from Basidiomycota Coniophora puteana for heterologous production of delta-cadinol.
Microb Cell Fact, 21, 2022
|
|
7NYT
 | | Trichoderma reesei Cel7A E212Q mutant in complex with lactose. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | 著者 | Haataja, T, Sandgren, M, Stahlberg, J. | | 登録日 | 2021-03-23 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
|
|
5W5Z
 | | Crystal structure of BAXP168G in complex with an activating antibody at high resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C10 Fab heavy chain, ... | | 著者 | Robin, A.Y, Colman, P.M, Czabotar, P.E. | | 登録日 | 2017-06-16 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
|
|
