2LDU
 
 | | Solution NMR Structure of Heat shock factor protein 1 DNA binding domain from homo sapiens, Northeast Structural Genomics Consortium Target HR3023C | | Descriptor: | Heat shock factor protein 1 | | Authors: | Liu, G, Xiao, R, Ciccosanti, C, Janjua, H, Acton, T.B, Lee, H, Wang, H.B, Huang, Y.B, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-06-01 | | Release date: | 2011-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Northeast Structural Genomics Consortium Target HR3023C
To be Published
|
|
7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | Descriptor: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
|
|
4G6W
 | | Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol | | Descriptor: | 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase | | Authors: | Celeste, L.R, Lebioda, L. | | Deposit date: | 2012-07-19 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
|
|
7U8F
 | | Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709 | | Descriptor: | (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ... | | Authors: | Ma, X, Ornelas, E, Clifton, M.C. | | Deposit date: | 2022-03-08 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
|
|
2LF8
 | |
7OOP
 | | Pol II-CSB-CSA-DDB1-UVSSA-PAF-SPT6 (Structure 3) | | Descriptor: | DNA damage-binding protein 1, DNA excision repair protein ERCC-6, DNA excision repair protein ERCC-8, ... | | Authors: | Kokic, G, Cramer, P. | | Deposit date: | 2021-05-28 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of human transcription-DNA repair coupling.
Nature, 598, 2021
|
|
5KO9
 | | Crystal Structure of the SRAP Domain of Human HMCES Protein | | Descriptor: | Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-29 | | Release date: | 2016-08-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
|
|
7P6V
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag | | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate | | Authors: | Chung, C. | | Deposit date: | 2021-07-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
|
|
7P6Y
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef | | Descriptor: | 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2021-07-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
|
|
6WW3
 | | Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ... | | Authors: | Liu, J, Vann, K.R, Kutateladze, T.G. | | Deposit date: | 2020-05-07 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
|
|
7P6W
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg | | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate | | Authors: | Chung, C. | | Deposit date: | 2021-07-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
|
|
6WW8
 | | BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET inhibitor | | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Bromodomain-containing protein 4 | | Authors: | Vann, K.R, Kutateladze, T.G. | | Deposit date: | 2020-05-08 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | A triple action CDK4/6-PI3K-BET inhibitor with augmented cancer cell cytotoxicity.
Cell Discov, 6, 2020
|
|
7OO3
 | | Pol II-CSB-CSA-DDB1-UVSSA (Structure1) | | Descriptor: | CSB element, DNA damage-binding protein 1, DNA excision repair protein ERCC-6, ... | | Authors: | Kokic, G, Cramer, P. | | Deposit date: | 2021-05-26 | | Release date: | 2021-10-06 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of human transcription-DNA repair coupling.
Nature, 598, 2021
|
|
6QZP
 | | High-resolution cryo-EM structure of the human 80S ribosome | | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 18S rRNA (1740-MER), 28S rRNA (3773-MER), ... | | Authors: | Natchiar, S.K, Myasnikov, A.G, Kratzat, H, Hazemann, I, Klaholz, B.P. | | Deposit date: | 2019-03-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Visualization of chemical modifications in the human 80S ribosome structure.
Nature, 551, 2017
|
|
6X2R
 | | Crystal Structure of the 4E-TNES peptide bound to CRM1 | | Descriptor: | Eukaryotic translation initiation factor 4E transporter, Exportin-1, GLYCEROL, ... | | Authors: | Baumhardt, J.M. | | Deposit date: | 2020-05-20 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
|
|
7OPD
 | | Pol II-CSB-CRL4CSA-UVSSA-SPT6-PAF (Structure 5) | | Descriptor: | Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-6, ... | | Authors: | Kokic, G, Cramer, P. | | Deposit date: | 2021-05-31 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of human transcription-DNA repair coupling.
Nature, 598, 2021
|
|
6X2Y
 | |
7OOB
 | | Pol II-CSB-CSA-DDB1-UVSSA-ADPBeF3 (Structure2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA damage-binding protein 1, ... | | Authors: | Kokic, G, Cramer, P. | | Deposit date: | 2021-05-27 | | Release date: | 2021-10-13 | | Last modified: | 2021-10-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis of human transcription-DNA repair coupling.
Nature, 598, 2021
|
|
6X4Q
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | | Descriptor: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
|
|
7OPC
 | | Pol II-CSB-CRL4CSA-UVSSA-SPT6-PAF (Structure 4) | | Descriptor: | Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-6, ... | | Authors: | Kokic, G, Cramer, P. | | Deposit date: | 2021-05-31 | | Release date: | 2021-10-13 | | Last modified: | 2021-10-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of human transcription-DNA repair coupling.
Nature, 598, 2021
|
|
5L6W
 | | Structure Of the LIMK1-ATPgammaS-CFL1 Complex | | Descriptor: | Cofilin-1, LIM domain kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Salah, E, Mathea, S, Oerum, S, Newman, J.A, Tallant, C, Adamson, R, Canning, P, Beltrami, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Bullock, A.N. | | Deposit date: | 2016-05-31 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure Of the LIMK1-ATPgammaS-CFL1 Complex
To Be Published
|
|
5L3D
 | | Human LSD1/CoREST: LSD1 Y761H mutation | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | | Authors: | Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors.
Hum.Mol.Genet., 25, 2016
|
|
5KIY
 | | p97 ND1-A232E in complex with VIMP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Selenoprotein S, ... | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2016-06-17 | | Release date: | 2017-12-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
|
|
2LVM
 | |
6R4A
 | | Aurora-A in complex with shape-diverse fragment 55 | | Descriptor: | 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.937 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
|
|
