7JPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jpn by Molmil](/molmil-images/mine/7jpn) | Cryo-EM structure of Arpin-bound Arp2/3 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ... | Authors: | van Eeuwen, T, Fregoso, F.E, Dominguez, R, Zimmet, A, Boczkowska, M, Rebowski, G. | Deposit date: | 2020-08-09 | Release date: | 2022-02-09 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Molecular mechanism of Arp2/3 complex inhibition by Arpin. Nat Commun, 13, 2022
|
|
6ERG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6erg by Molmil](/molmil-images/mine/6erg) | Complex of XLF and heterodimer Ku bound to DNA | Descriptor: | DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2017-10-18 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol., 25, 2018
|
|
7V7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v7b by Molmil](/molmil-images/mine/7v7b) | |
5X4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x4y by Molmil](/molmil-images/mine/5x4y) | Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
|
|
5X5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x5q by Molmil](/molmil-images/mine/5x5q) | Human thymidylate synthase complexed with dUMP and raltitrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-17 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
|
|
7KK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kk6 by Molmil](/molmil-images/mine/7kk6) | |
6ERH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6erh by Molmil](/molmil-images/mine/6erh) | Complex of XLF and heterodimer Ku bound to DNA | Descriptor: | DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2017-10-18 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol., 25, 2018
|
|
7YPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ypz by Molmil](/molmil-images/mine/7ypz) | Zafirlukast in complex with CRM1-Ran-RanBP1 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Sun, Q, Lei, Y. | Deposit date: | 2022-08-05 | Release date: | 2023-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach. J.Med.Chem., 66, 2023
|
|
5XJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xjr by Molmil](/molmil-images/mine/5xjr) | |
7ZAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zau by Molmil](/molmil-images/mine/7zau) | Fascin-1 in complex with Nb 3E11 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fascin, ... | Authors: | Burgess, S.G, Bayliss, R. | Deposit date: | 2022-03-22 | Release date: | 2023-09-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanobody inhibitor of Fascin-1 actin-bundling activity and filopodia formation. Open Biology, 14, 2024
|
|
5X67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x67 by Molmil](/molmil-images/mine/5x67) | Human thymidylate synthase in complex with dUMP and nolatrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states. J. Biol. Chem., 292, 2017
|
|
7KK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kk2 by Molmil](/molmil-images/mine/7kk2) | Structure of the catalytic domain of PARP1 | Descriptor: | Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
|
|
8PQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pqn by Molmil](/molmil-images/mine/8pqn) | NQO1 bound to RBS-10 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide | Authors: | Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A. | Deposit date: | 2023-07-11 | Release date: | 2024-01-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
5XJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xjq by Molmil](/molmil-images/mine/5xjq) | |
8PMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pmp by Molmil](/molmil-images/mine/8pmp) | Structure of the human nuclear cap-binding complex bound to ARS2[147-871] and m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ... | Authors: | Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J. | Deposit date: | 2023-06-29 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex. Cell Rep, 43, 2024
|
|
8Q34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q34 by Molmil](/molmil-images/mine/8q34) | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
|
|
5XQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xqm by Molmil](/molmil-images/mine/5xqm) | |
8Q5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q5h by Molmil](/molmil-images/mine/8q5h) | Human KMN network (outer kinetochore) | Descriptor: | Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ... | Authors: | Raisch, T, Polley, S, Vetter, I, Musacchio, A, Raunser, S. | Deposit date: | 2023-08-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Insights into human outer kinetochore assembly and force transmission from a structure-function analysis of the KMN network To Be Published
|
|
7KK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kk4 by Molmil](/molmil-images/mine/7kk4) | Structure of the catalytic domain of PARP1 in complex with olaparib | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
|
|
5XSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xsu by Molmil](/molmil-images/mine/5xsu) | novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
|
|
5XUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xup by Molmil](/molmil-images/mine/5xup) | Crystal structure of TRF1 and TERB1 | Descriptor: | Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1 | Authors: | Long, J, Huang, C, Wu, J, Lei, M. | Deposit date: | 2017-06-24 | Release date: | 2017-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Telomeric TERB1-TRF1 interaction is crucial for male meiosis. Nat. Struct. Mol. Biol., 24, 2017
|
|
5X4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x4x by Molmil](/molmil-images/mine/5x4x) | Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
|
|
2JHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jhx by Molmil](/molmil-images/mine/2jhx) | |
5X69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x69 by Molmil](/molmil-images/mine/5x69) | Human thymidylate synthase with a fragment bound in the dimer interface | Descriptor: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
|
|
7KK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kk3 by Molmil](/molmil-images/mine/7kk3) | Structure of the catalytic domain of PARP1 in complex with talazoparib | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, Poly [ADP-ribose] polymerase 1 | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
|
|