9VSR
 
 | | The DCY1040 and TUG-891-bound structure of TMEM175 | | 分子名称: | (2S)-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one, 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, CHOLESTEROL, ... | | 著者 | Zhu, X, Liu, H, Yin, W. | | 登録日 | 2025-07-09 | | 公開日 | 2025-09-17 | | 最終更新日 | 2025-11-19 | | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | | 主引用文献 | Structural insights into the activation of TMEM175 by small molecule.
Neuron, 113, 2025
|
|
9N77
 | |
9N6V
 | |
9VNX
 | | Crystal Structure of the mutant ROR gamma LBD With Compound 28 | | 分子名称: | (2~{R})-~{N}-[5-(5-cyano-6-propan-2-yloxy-pyridin-3-yl)-1-(trifluoromethyl)pyrazol-3-yl]-1-ethanoyl-4-propan-2-ylsulfonyl-piperazine-2-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Akai, S, Nomura, A, Yamaguchi, K, Adachi, T. | | 登録日 | 2025-07-01 | | 公開日 | 2025-07-30 | | 最終更新日 | 2025-08-27 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | A Concise and Modular Approach to Generate Novel ROR gamma Agonists.
J.Med.Chem., 68, 2025
|
|
9N76
 | |
9B65
 | | Biased agonist bound CB1-Gi structure | | 分子名称: | Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Rangari, V.A, O'Brien, E.S, Kobilka, B.K, Krishna Kumar, K, Majumdar, S. | | 登録日 | 2024-03-23 | | 公開日 | 2025-03-05 | | 最終更新日 | 2025-04-16 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | A cryptic pocket in CB1 drives peripheral and functional selectivity.
Nature, 640, 2025
|
|
9N6Y
 | |
4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | 分子名称: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2015-01-08 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
|
|
9N75
 | |
9RKE
 | | Crystal Structure of compound 1-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB | | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CITRATE ANION, Elongin-B, ... | | 著者 | Wijaya, A.J, Karolak, N.K, Ciulli, A. | | 登録日 | 2025-06-13 | | 公開日 | 2025-11-12 | | 最終更新日 | 2025-11-26 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Identification of a Highly Cooperative PROTAC Degrader Targeting GTP-Loaded KRAS(On) Alleles.
J.Am.Chem.Soc., 147, 2025
|
|
5EK0
 | | Human Nav1.7-VSD4-NavAb in complex with GX-936. | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha | | 著者 | Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J. | | 登録日 | 2015-11-03 | | 公開日 | 2015-12-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | | 主引用文献 | Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
|
|
2YFC
 | | STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, COMPLEXED WITH Mn and dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Goncalves, A.M.D, De Sanctis, D, Mcsweeney, S.M. | | 登録日 | 2011-04-05 | | 公開日 | 2011-07-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
|
|
4MC3
 | | Hedycaryol synthase in complex with Nerolidol | | 分子名称: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, Putative sesquiterpene cyclase | | 著者 | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | | 登録日 | 2013-08-21 | | 公開日 | 2014-01-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
|
|
7AAK
 | | Human porphobilinogen deaminase R173W mutant crystallized in the ES2 intermediate state | | 分子名称: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, Porphobilinogen deaminase | | 著者 | Kallio, J.P, Bustad, H.J, Martinez, A. | | 登録日 | 2020-09-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Characterization of porphobilinogen deaminase mutants reveals that arginine-173 is crucial for polypyrrole elongation mechanism.
Iscience, 24, 2021
|
|
9N6X
 | |
4EHI
 | | An X-ray Crystal Structure of a putative Bifunctional Phosphoribosylaminoimidazolecarboxamide Formyltransferase/IMP Cyclohydrolase | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional purine biosynthesis protein PurH, SULFATE ION | | 著者 | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Kwok, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-04-02 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | An X-ray Crystal Structure of a putative Bifunctional Phosphoribosylaminoimidazolecarboxamide Formyltransferase/IMP Cyclohydrolase
TO BE PUBLISHED
|
|
9YE4
 | | Crystal structure of the human DCAF1 WDR domain in complex with OICR-41110 | | 分子名称: | (4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide, 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1 | | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Mamai, A, Al-awar, R, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2025-09-23 | | 公開日 | 2025-11-12 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal structure of the human DCAF1 WDR domain in complex with OICR-41110
To be published
|
|
6CKS
 | | Crystal Structure of BRD4 with QC4956 | | 分子名称: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4 | | 著者 | Hosfield, D.J. | | 登録日 | 2018-02-28 | | 公開日 | 2018-05-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
7KRY
 | | Co-crystal structure of alpha glucosidase with compound 11 | | 分子名称: | (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2020-11-20 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
|
|
2UUV
 | | alkyldihydroxyacetonephosphate synthase in P1 | | 分子名称: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, FLAVIN-ADENINE DINUCLEOTIDE, HEXADECAN-1-OL | | 著者 | Razeto, A, Mattiroli, F, Carpanelli, E, Aliverti, A, Pandini, V, Coda, A, Mattevi, A. | | 登録日 | 2007-03-07 | | 公開日 | 2007-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | The Crucial Step in Ether Phospholipid Biosynthesis: Structural Basis of a Noncanonical Reaction Associated with a Peroxisomal Disorder.
Structure, 15, 2007
|
|
9O9V
 | |
7TBE
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | | 著者 | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | 登録日 | 2021-12-21 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
|
|
4PV7
 | | Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor | | 分子名称: | 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine, Dipeptidyl peptidase 4 soluble form | | 著者 | Xiao, P, Guo, R, Huang, S, Cui, H, Ye, S, Zhang, Z. | | 登録日 | 2014-03-15 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold
Chin.Chem.Lett., 25, 2014
|
|
7KUZ
 | |
8HCA
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (1 RBD up) | | 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, Heavy chain of YB13-292 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (4.35 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
|
|
