4YD1
 
 | | Ternary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate and an incoming nonhydrolyzable dUMPNPP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2015-02-20 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Creative template-dependent synthesis by human polymerase mu.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8J0W
 | | Crystal structure of horse spleen L-ferritin at -40deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
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7LK7
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9DMM
 | | Crystal structure of human KRAS G12C covalently bound to Divarasib (GDC6036) | | Descriptor: | 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Fernando, M.C. | | Deposit date: | 2024-09-13 | | Release date: | 2025-05-21 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of KRAS G12C bound to divarasib highlights features of potent switch-II pocket engagement.
Small Gtpases, 15, 2024
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7LJJ
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8SI6
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in closed state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
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5Y28
 | | Crystal structure of H. pylori HtrA with PDZ2 deletion | | Descriptor: | 1,2-ETHANEDIOL, Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK-UNK | | Authors: | Zhang, Z, Huang, Q, Tao, X. | | Deposit date: | 2017-07-24 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.08606815 Å) | | Cite: | The unique trimeric assembly of the virulence factor HtrA fromHelicobacter pylorioccurs via N-terminal domain swapping.
J.Biol.Chem., 294, 2019
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4AUC
 | | Bovine chymosin in complex with Pepstatin A | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHYMOSIN, ... | | Authors: | Langholm Jensen, J, Navarro Poulsen, J.C, Jacobsen, J, van den Brink, J.M, Qvist, K.B, Larsen, S. | | Deposit date: | 2012-05-16 | | Release date: | 2013-05-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Structure of Bovine Chymosin in Complex with Pepstatin A
To be Published
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6EIR
 | | DYRK1A in complex with XMD15-27-2 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide | | Authors: | Rothweiler, U. | | Deposit date: | 2017-09-19 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
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8J0Z
 | | Crystal structure of horse spleen L-ferritin at -180deg Celsius cooled from -40deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
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8J11
 | | Crystal structure of horse spleen L-ferritin at 0deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
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6A27
 | | Crystal structure of PprA W183R mutant form 1 | | Descriptor: | DNA repair protein PprA, GLYCEROL, SULFATE ION | | Authors: | Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R. | | Deposit date: | 2018-06-09 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.353 Å) | | Cite: | Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans.
FASEB J., 33, 2019
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6T5U
 | | KRasG12C ligand complex | | Descriptor: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-02-19 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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7UY3
 | | Crystal structure of human Fgr tyrosine kinase in complex with TL02-59 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, ... | | Authors: | Du, S, Alvarado, J.J, Smithgall, T.E. | | Deposit date: | 2022-05-06 | | Release date: | 2022-12-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | ATP-site inhibitors induce unique conformations of the acute myeloid leukemia-associated Src-family kinase, Fgr.
Structure, 30, 2022
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8AZR
 | | KRAS in complex with precursor 1 | | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8J0V
 | | Crystal structure of horse spleen L-ferritin at -100deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
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8SI5
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in open state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.17 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
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8J0X
 | | Crystal structure of horse spleen L-ferritin at -20deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
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6EJN
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6EP9
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8J16
 | | Crystal structure of horse spleen L-ferritin at -80deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
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8J10
 | | Crystal structure of horse spleen L-ferritin at -180deg Celsius cooled from -20deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
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6AJI
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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9DU3
 | | SARS-CoV-2 Mpro in complex with compound 1 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-hydroxy-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding.
Iscience, 28, 2025
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6Q0J
 | | Structure of a MAPK pathway complex | | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Park, E, Rawson, S, Jeon, H, Eck, M.J. | | Deposit date: | 2019-08-01 | | Release date: | 2019-10-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
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