4RE4
 
 | | Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Beta-mannosidase/beta-glucosidase, ... | | 著者 | Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R. | | 登録日 | 2014-09-21 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
|
|
6U37
 | | Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B | | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | | 登録日 | 2019-08-21 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
|
|
9QFY
 | | Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 9. | | 分子名称: | E3 ubiquitin-protein ligase CHIP, SULFATE ION, ~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide | | 著者 | Breed, J. | | 登録日 | 2025-03-12 | | 公開日 | 2025-08-27 | | 実験手法 | X-RAY DIFFRACTION (1.064 Å) | | 主引用文献 | Discovery of Small-Molecule Ligands for the E3 Ligase STUB1/CHIP from a DNA-Encoded Library Screen.
Acs Med.Chem.Lett., 16, 2025
|
|
5KTO
 | | Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound quinolinate and Fe4S4 cluster | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | 著者 | Fenwick, M.K, Ealick, S.E. | | 登録日 | 2016-07-12 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.442 Å) | | 主引用文献 | Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
|
|
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
|
|
9PLN
 | | Locally-refined structure of alpha2a adrenergic receptor in complex with Go heterotrimer, scFv16, and N-(5-methylnaphthalen-1-yl)pyridin-4-amine (compound 4905) | | 分子名称: | Alpha-2A adrenergic receptor, N-(5-methylnaphthalen-1-yl)pyridin-4-amine | | 著者 | Srinivasan, K, Xu, X, Mailhot, O, Manglik, A, Shoichet, B. | | 登録日 | 2025-07-15 | | 公開日 | 2025-08-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Toward a Random Background for Ligand Optimization
To Be Published
|
|
8HUE
 | | Crystal structure of FGF2-M2 mutant - D28E/C78I/C96I/S137P | | 分子名称: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor 2 | | 著者 | Jung, Y.E, Cha, S.S, An, Y.J. | | 登録日 | 2022-12-23 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structural and biochemical investigation into stable FGF2 mutants with novel mutation sites and hydrophobic replacements for surface-exposed cysteines.
Plos One, 19, 2024
|
|
7NED
 | |
6UFD
 | |
5KVE
 | | Zika specific antibody, ZV-48, bound to ZIKA envelope DIII | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Genome polyprotein, ... | | 著者 | Zhao, H, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-07-14 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis of Zika Virus-Specific Antibody Protection.
Cell, 166, 2016
|
|
8IPA
 | | Wheat 80S ribosome stalled on AUG-Stop boron dependently with cycloheximide | | 分子名称: | 18S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, 40S ribosomal protein eL8, ... | | 著者 | Yokoyama, T, Tanaka, M, Saito, H, Nishimoto, M, Tsuda, K, Sotta, N, Shigematsu, H, Shirouzu, M, Iwasaki, S, Ito, T, Fujiwara, T. | | 登録日 | 2023-03-14 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Boric acid intercepts 80S ribosome migration from AUG-stop by stabilizing eRF1.
Nat.Chem.Biol., 20, 2024
|
|
5YBJ
 | | Structure of apo KANK1 ankyrin domain | | 分子名称: | GLYCEROL, KN motif and ankyrin repeat domain-containing protein 1 | | 著者 | Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC) | | 登録日 | 2017-09-05 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.341 Å) | | 主引用文献 | Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
|
|
9OND
 | |
9CF7
 | |
6UFC
 | |
5KZN
 | | Metabotropic Glutamate Receptor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | | 著者 | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | 登録日 | 2016-07-25 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
|
|
7ZKS
 | | SRPK1 IN COMPLEX WITH INHIBITOR | | 分子名称: | CHLORIDE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, SRSF protein kinase 1 | | 著者 | Graedler, U. | | 登録日 | 2022-04-13 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
|
|
6WEQ
 | | DENV1 NS1 in complex with neutralizing 2B7 Fab fragment | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ... | | 著者 | Akey, D.L, Smith, J.L. | | 登録日 | 2020-04-02 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
|
|
4Z9K
 | | Ricin A chain bound to camelid nanobody (VHH2)(F5) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ... | | 著者 | Rudolph, M.J. | | 登録日 | 2015-04-10 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural analysis of nested neutralizing and non-neutralizing B cell epitopes on ricin toxin's enzymatic subunit.
Proteins, 84, 2016
|
|
8W8F
 | | human co-transcriptional RNA capping enzyme RNGTT-CMTR1 | | 分子名称: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, DNA (36-MER), DNA (45-MER), ... | | 著者 | Li, Y, Wang, Q, Xu, Y, Li, Z. | | 登録日 | 2023-09-02 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structures of co-transcriptional RNA capping enzymes on paused transcription complex.
Nat Commun, 15, 2024
|
|
8F9G
 | | HIV Env germline targeting BG505_MD64_N332-GT5 SOSIP in complex with V3-glycan polyclonal Fab isolated from immunized BG18HCgl knock-in mice | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505_MD64_N332-GT5 gp120, ... | | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | | 登録日 | 2022-11-23 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
|
|
7R2G
 | | USP15 D1D2 in catalytically-competent state bound to mitoxantrone stack (isoform 2) | | 分子名称: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 15, ... | | 著者 | Priyanka, A, Sixma, T.K. | | 登録日 | 2022-02-04 | | 公開日 | 2022-06-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Mitoxantrone stacking does not define the active or inactive state of USP15 catalytic domain.
J.Struct.Biol., 214, 2022
|
|
6WHY
 | | GluN1b-GluN2B NMDA receptor in complex with GluN1 antagonist L689,560, class 1 | | 分子名称: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chou, T, Tajima, N, Furukawa, H. | | 登録日 | 2020-04-08 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (4.03 Å) | | 主引用文献 | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WIZ
 | |
8CWT
 | |
