6RPZ
 
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4N14
 | | Crystal structure of Cdc20 and apcin complex | | Descriptor: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate, Cell division cycle protein 20 homolog | | Authors: | Luo, X, Tian, W, Yu, H. | | Deposit date: | 2013-10-03 | | Release date: | 2014-08-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synergistic blockade of mitotic exit by two chemical inhibitors of the APC/C.
Nature, 514, 2014
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5EK0
 | | Human Nav1.7-VSD4-NavAb in complex with GX-936. | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha | | Authors: | Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J. | | Deposit date: | 2015-11-03 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
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6D7W
 | | Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri at 3.8 Angstrom resolution | | Descriptor: | CALCIUM ION, Mitochondrial calcium uniporter | | Authors: | Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C. | | Deposit date: | 2018-04-25 | | Release date: | 2018-07-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
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7JY5
 | | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
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4N8R
 | | Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | | Descriptor: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | Deposit date: | 2013-10-17 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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7AP2
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound LeuS7HMDDA | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-10-15 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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6RPX
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7AP3
 | | Crystal structure of E. coli tyrosyl-tRNA synthetase in complex with TyrS7HMDDA | | Descriptor: | SODIUM ION, Tyrosine--tRNA ligase, [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-10-15 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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6S4P
 | | The crystal structure of glycogen phosphorylase in complex with 13 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6BCQ
 | | cryo-EM structure of TRPM4 in ATP bound state with long coiled coil at 3.3 angstrom resolution | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4 | | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2017-10-20 | | Release date: | 2017-12-13 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
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4O4R
 | | Murine Norovirus RdRp in complex with PPNDS | | Descriptor: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, RNA-dependent-RNA-polymerase, SULFATE ION | | Authors: | Croci, R, Tarantino, D, Milani, M, Pezzullo, M, Bolognesi, M, Mastrangelo, E. | | Deposit date: | 2013-12-19 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases.
Febs Lett., 588, 2014
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5CW4
 | | Structure of CfBRCC36-CfKIAA0157 complex (Selenium Edge) | | Descriptor: | BRCA1/BRCA2-containing complex subunit 3, GLYCEROL, Protein FAM175B, ... | | Authors: | Zeqiraj, E. | | Deposit date: | 2015-07-27 | | Release date: | 2015-09-16 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.543 Å) | | Cite: | Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
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6S4K
 | | The crystal structure of glycogen phosphorylase in complex with 12 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6S4O
 | | The crystal structure of glycogen phosphorylase in complex with 9 | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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5Y4S
 | | Structure of a methyltransferase complex | | Descriptor: | Chemotaxis protein methyltransferase 1 | | Authors: | Yan, X, Xin, L, Tan, Y.J, Jin, S, Liang, Z.X, Gao, Y.G. | | Deposit date: | 2017-08-04 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.405 Å) | | Cite: | Structural analyses unravel the molecular mechanism of cyclic di-GMP regulation of bacterial chemotaxis via a PilZ adaptor protein.
J. Biol. Chem., 293, 2018
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6RPY
 | | Cytokine receptor-like factor 3 C-terminus residues 174-442: Hg-SAD derivative | | Descriptor: | Cytokine receptor-like factor 3, MERCURY (II) ION | | Authors: | Mifsud, R.W, Yan, Y, Bennett, C, Read, R.J. | | Deposit date: | 2019-05-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | CRLF3 plays a key role in the final stage of platelet genesis and is a potential therapeutic target for thrombocythemia.
Blood, 139, 2022
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5YE2
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5YEV
 | | Murine DR3 death domain | | Descriptor: | SULFATE ION, TNFRSF25 death domain | | Authors: | Yin, X, Jin, T. | | Deposit date: | 2017-09-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
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4QEB
 | | Dcps in complex with covalent inhibitor targeting Tyrosine | | Descriptor: | 3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, PHOSPHATE ION, m7GpppX diphosphatase | | Authors: | Liu, S. | | Deposit date: | 2014-05-15 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Human Dcps in complex with covalent inhibitor
To be Published
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6DSO
 | | Cryo-EM structure of murine AA amyloid fibril | | Descriptor: | Serum amyloid A-2 protein | | Authors: | Loerch, S, Liberta, F, Grigorieff, N, Fandrich, M, Schmidt, M. | | Deposit date: | 2018-06-14 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM fibril structures from systemic AA amyloidosis reveal the species complementarity of pathological amyloids.
Nat Commun, 10, 2019
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4QDV
 | | Dcps in complex with covalent ligand | | Descriptor: | 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Liu, S. | | Deposit date: | 2014-05-14 | | Release date: | 2015-05-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dcps in complex with covalent ligands targeting Tyrosines
To be Published
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4QEU
 | | Crystal structure of BRD2(BD2) mutant in free form | | Descriptor: | ACETATE ION, Bromodomain-containing protein 2, GLYCEROL | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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6BCO
 | | cryo-EM structure of TRPM4 in ATP bound state with short coiled coil at 2.9 angstrom resolution | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4 | | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2017-10-20 | | Release date: | 2017-12-13 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
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7JTU
 | | Cytidine deaminase T6S toxin from Pseudomonas syringae | | Descriptor: | SsdA, SsdAI | | Authors: | Bosch, D.E, Hsu, F, de Moraes, M.H, Mougous, J.D. | | Deposit date: | 2020-08-18 | | Release date: | 2021-03-31 | | Last modified: | 2021-04-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | An interbacterial DNA deaminase toxin directly mutagenizes surviving target populations.
Elife, 10, 2021
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