8OK0
 
 | | Crystal structure of human NQO1 in complex with the inhibitor PMSF | | Descriptor: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | | Deposit date: | 2023-03-26 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
|
|
8K4L
 | |
6JMQ
 | | LAT1-CD98hc complex bound to MEM-108 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | | Authors: | Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Nakane, T, Nureki, O. | | Deposit date: | 2019-03-13 | | Release date: | 2019-06-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc.
Nat.Struct.Mol.Biol., 26, 2019
|
|
6JIB
 | | Human MTHFD2 in complex with DS44960156 | | Descriptor: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
|
|
6JJ5
 | | BRD4 in complex with 259 | | Descriptor: | 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide, Bromodomain-containing protein 4 | | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | BRD4 in complex with ZZM1
To Be Published
|
|
6HAD
 | | Human transketolase variant E160Q | | Descriptor: | CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Dai, S, Sautner, V, Tittmann, K. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
|
|
8HLR
 | |
6I2U
 | |
6I18
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide, ACETATE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
8OK2
 | | Bipartite interaction of TOPBP1 with the GINS complex | | Descriptor: | DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2023-03-26 | | Release date: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | TopBP1 utilises a bipartite GINS binding mode to support genome replication.
Nat Commun, 15, 2024
|
|
6JI4
 | | brd4-bd1 bound with ligand 138 | | Descriptor: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | Deposit date: | 2019-02-20 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | brd4-bd1 bound with ligand 138
To Be Published
|
|
6JIO
 | | Human LXR-beta in complex with a ligand | | Descriptor: | Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-02-22 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay.
Eur.J.Med.Chem., 178, 2019
|
|
8JNZ
 | | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor | | Descriptor: | 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | | Authors: | Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
|
|
8J8M
 | | Overall structure of the LAT1-4F2hc bound with tryptophan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, Large neutral amino acids transporter small subunit 1, ... | | Authors: | Yan, R.H, Li, Y.N, Shi, T.H. | | Deposit date: | 2023-05-02 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Overall structure of the LAT1-4F2hc bound with tryptophan
To Be Published
|
|
8J8L
 | | Overall structure of the LAT1-4F2hc bound with L-dopa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-DIHYDROXYPHENYLALANINE, 4F2 cell-surface antigen heavy chain, ... | | Authors: | Yan, R.H, Li, Y.N, Shi, T.H. | | Deposit date: | 2023-05-02 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Overall structure of the LAT1-4F2hc bound with L-dopa
To Be Published
|
|
8OHD
 | | 60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (native) | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
|
|
8OJ8
 | | 60S ribosomal subunit bound to the E3-UFM1 complex - state 1 (native) | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | | Deposit date: | 2023-03-24 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
|
|
6JI5
 | | brd4-bd1 bound with ligand 167 | | Descriptor: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | Deposit date: | 2019-02-20 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | brd4-bd1 bound with ligand 167
To Be Published
|
|
6JID
 | | Human MTHFD2 in complex with Compound 1 | | Descriptor: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
|
|
6JJB
 | | BRD4 in complex with ZZM1 | | Descriptor: | 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
|
|
8IPD
 | | human nuclear pre-60S ribosomal particle - State C | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Zhang, Y, Gao, N. | | Deposit date: | 2023-03-14 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
|
|
8IR1
 | | human nuclear pre-60S ribosomal particle - State A | | Descriptor: | 28S rRNA, 5.8S rRMA, 5S RNA, ... | | Authors: | Zhang, Y, Gao, N. | | Deposit date: | 2023-03-17 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
|
|
6JMR
 | | CD98hc extracellular domain bound to HBJ127 Fab and MEM-108 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | | Authors: | Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Yokoyama, T, Nakane, T, Shirouzu, M, Nureki, O. | | Deposit date: | 2019-03-13 | | Release date: | 2019-06-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc.
Nat.Struct.Mol.Biol., 26, 2019
|
|
8I33
 | |
8ODP
 | | Structure of human RTCB with GMPCPP in complex with Archease | | Descriptor: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Protein archease, ... | | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | | Deposit date: | 2023-03-09 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
|
|
