4D5Q
 
 | | Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | 著者 | Momeni, M.H, Stahlberg, J, Hansson, H. | | 登録日 | 2014-11-07 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
|
|
4W1O
 | | PDE4D complexed with inhibitor | | 分子名称: | N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | | 著者 | Sorensen, M.D. | | 登録日 | 2014-08-14 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis
J.Med.Chem, 57, 2014
|
|
6V94
 | |
6V3K
 | | Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ419 (compound 4c) | | 分子名称: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ... | | 著者 | Lyumkis, D, Jozwik, I.K, Passos, D. | | 登録日 | 2019-11-25 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
|
|
9ESI
 | | Structure of a B-state intermediate committed to discard (Bd-II state) | | 分子名称: | G-patch domain-containing protein C1486.03, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Soni, K, Wild, K, Sinning, I. | | 登録日 | 2024-03-26 | | 公開日 | 2024-12-25 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structures of aberrant spliceosome intermediates on their way to disassembly.
Nat.Struct.Mol.Biol., 32, 2025
|
|
9ESH
 | | Structure of a B-state intermediate committed to discard (Bd-I state) | | 分子名称: | G-patch domain-containing protein C1486.03, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Soni, K, Wild, K, Sinning, I. | | 登録日 | 2024-03-26 | | 公開日 | 2024-12-25 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of aberrant spliceosome intermediates on their way to disassembly.
Nat.Struct.Mol.Biol., 32, 2025
|
|
6URC
 | | Crystal structure of IRE1a in complex with compound 18 | | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Wallweber, H.H, Wang, W. | | 登録日 | 2019-10-23 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
4CXO
 | | bifunctional endonuclease in complex with ssDNA | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ENDONUCLEASE 2, SULFATE ION, ... | | 著者 | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | | 登録日 | 2014-04-08 | | 公開日 | 2014-07-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
|
|
6UVY
 | | BACE-1 in complex with compound #18 | | 分子名称: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
|
|
8SVE
 | |
7T29
 | |
7SSE
 | | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | | 分子名称: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | | 著者 | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2021-11-10 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
|
|
6V1B
 | | Crystal structure of the bromodomain of human BRD9 bound to I-BRD9 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | | 著者 | Karim, M.R, Chan, A, Schonbrunn, E. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
|
|
9JA0
 | | The capsid protein of HIV 1 | | 分子名称: | Capsid protein p24 | | 著者 | Yi, G, Ma, J, Zhang, P. | | 登録日 | 2024-08-23 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Open architecture of archaea MCM and dsDNA complexes resolved using monodispersed streptavidin affinity CryoEM.
Nat Commun, 15, 2024
|
|
4WEC
 | |
4UWX
 | | Structure of liprin-alpha3 in complex with mDia1 Diaphanous- inhibitory domain | | 分子名称: | LIPRIN-ALPHA-3, NICKEL (II) ION, PROTEIN DIAPHANOUS HOMOLOG 1, ... | | 著者 | Brenig, J, de Boor, S, Knyphausen, P, Kuhlmann, N, Wroblowski, S, Baldus, L, Scislowski, L, Artz, O, Trauschies, P, Baumann, U, Neundorf, I, Lammers, M. | | 登録日 | 2014-08-15 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and Biochemical Basis for the Inhibitory Effect of Liprin-Alpha3 on Mouse Diaphanous 1 (Mdia1) Function.
J.Biol.Chem., 290, 2015
|
|
9ETI
 | | Complex structure of IL-36R D1-D2 domain with 36R-D481 and BI655130 Fab | | 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, 4-[3-[[(1~{S})-1-(3-bromophenyl)-3-[2-(2-morpholin-4-ylethoxy)ethylamino]-3-oxidanylidene-propyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-5-cyano-thieno[2,3-b]pyridine-2-carboxylic acid, ... | | 著者 | Scheufler, C, Wirth, E, Lehmann, S. | | 登録日 | 2024-03-26 | | 公開日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of selective low molecular weight interleukin-36 receptor antagonists by encoded library technologies.
Nat Commun, 16, 2025
|
|
9JE0
 | | Human URAT1 bound to benzbromarone | | 分子名称: | Solute carrier family 22 member 12, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | 著者 | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | 登録日 | 2024-09-01 | | 公開日 | 2024-10-16 | | 最終更新日 | 2025-04-16 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Molecular mechanisms of urate transport by the native human URAT1 and its inhibition by anti-gout drugs.
Cell Discov, 11, 2025
|
|
6UVV
 | | BACE-1 in complex with compound #17 | | 分子名称: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
|
|
7SPP
 | |
4W55
 | | T4 Lysozyme L99A with n-Propylbenzene Bound | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene | | 著者 | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | | 登録日 | 2014-08-16 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6401 Å) | | 主引用文献 | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4W58
 | | T4 Lysozyme L99A with n-Pentylbenzene Bound | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene | | 著者 | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | | 登録日 | 2014-08-16 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
9F60
 | | Structure of the Chlamydomonas reinhardtii respiratory complex IV from respiratory supercomplex | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | | 著者 | Waltz, F, Righetto, R, Kotecha, A, Engel, B.D. | | 登録日 | 2024-04-30 | | 公開日 | 2025-03-12 | | 最終更新日 | 2025-04-02 | | 実験手法 | ELECTRON MICROSCOPY (2.39 Å) | | 主引用文献 | In-cell architecture of the mitochondrial respiratory chain.
Science, 387, 2025
|
|
6UUO
 | | Crystal structure of BRAF kinase domain bound to the PROTAC P4B | | 分子名称: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | 著者 | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | | 登録日 | 2019-10-30 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.288 Å) | | 主引用文献 | Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
|
|
6UWX
 | |
