7Z28
 
 | | High-resolution crystal structure of ERAP1 with bound bestatin analogue inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Giastas, P, Papakyriakou, A, Stratikos, E, Vourloumis, D. | | Deposit date: | 2022-02-26 | | Release date: | 2022-07-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin.
J.Med.Chem., 65, 2022
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7Z6C
 | | Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-ispropyl-5-methyl-4-phenoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide. | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Alberti, M, Lolli, M.L, Boschi, D, Sainas, S, Rizzi, M, Ferraris, D.M, Miggiano, R. | | Deposit date: | 2022-03-11 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5- a ]pyridine Scaffold: SAR of the Aryloxyaryl Moiety.
J.Med.Chem., 65, 2022
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7ZHL
 | | Salmonella enterica Rhs1 C-terminal toxin TreTu | | Descriptor: | RHS repeat protein, ZINC ION | | Authors: | Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E. | | Deposit date: | 2022-04-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
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7ZHM
 | | Salmonella enterica Rhs1 C-terminal toxin TreTu complex with TriTu immunity protein | | Descriptor: | Immunity protein TriTu, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rhs1 protein, ... | | Authors: | Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E. | | Deposit date: | 2022-04-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
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6RNZ
 | | Crystal structure of the N-terminal HTH DNA-binding domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti) | | Descriptor: | GLYCEROL, HTH-type transcriptional regulator DdrOC | | Authors: | Arnoux, P, Siponen, M.I, Pignol, D, Brandelet, G, De Groot, A, Blanchard, L. | | Deposit date: | 2019-05-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
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6RO6
 | | Crystal structure of the C-terminal dimerization domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti) | | Descriptor: | HTH-type transcriptional regulator DdrOC, SULFATE ION | | Authors: | Pignol, D, Arnoux, P, Siponen, M.I, Brandelet, G, De Groot, A, Blanchard, L. | | Deposit date: | 2019-05-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
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1ARO
 | | T7 RNA POLYMERASE COMPLEXED WITH T7 LYSOZYME | | Descriptor: | MERCURY (II) ION, T7 LYSOZYME, T7 RNA POLYMERASE | | Authors: | Steitz, T, Jeruzalmi, D. | | Deposit date: | 1997-08-08 | | Release date: | 1998-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of T7 RNA polymerase complexed to the transcriptional inhibitor T7 lysozyme.
EMBO J., 17, 1998
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4IN4
 | | Crystal structure of cpd 15 bound to Keap1 Kelch domain | | Descriptor: | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION | | Authors: | Silvian, L, Marcotte, D. | | Deposit date: | 2013-01-03 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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4RW3
 | | Structural insights into substrate binding of brown spider venom class II phospholipases D | | Descriptor: | D-MYO-INOSITOL-1-PHOSPHATE, DECANOIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K. | | Deposit date: | 2014-12-01 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
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7R7M
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8QQI
 | | E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800 | | Descriptor: | DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Ghilarov, D, Martin, N.I, van der Stelt, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-06-19 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 16, 2024
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8EXA
 | | ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 1 (RuvC domain resolved) | | Descriptor: | DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB | | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V. | | Deposit date: | 2022-10-25 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
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1B1C
 | | CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93A RESOLUTION | | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH-CYTOCHROME P450 REDUCTASE) | | Authors: | Zhao, Q, Modi, S, Smith, G, Paine, M, Mcdonagh, P.D, Wolf, C.R, Tew, D, Lian, L.-Y, Roberts, G.C.K, Driessen, H.P.C. | | Deposit date: | 1998-11-19 | | Release date: | 1999-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of the FMN-binding domain of human cytochrome P450 reductase at 1.93 A resolution.
Protein Sci., 8, 1999
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7ZPJ
 | | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate and TARBP2 subunit | | Descriptor: | 59-nt precursor of miR-15a, Endoribonuclease Dicer, RISC-loading complex subunit TARBP2 isoform 1 | | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | Deposit date: | 2022-04-27 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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6C2U
 | | Solution structure of a phosphate-loop protein | | Descriptor: | phosphate-loop protein | | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | | Deposit date: | 2018-01-09 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Simple yet functional phosphate-loop proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6T19
 | | Structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals soaked with DTT at pH 7 | | Descriptor: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
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3UXD
 | | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5FJU
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8EX9
 | | ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 2 (RuvC domain unresolved) | | Descriptor: | DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB | | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V. | | Deposit date: | 2022-10-25 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
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4RMK
 | | Crystal structure of the Olfactomedin domain of latrophilin 3 in P65 crystal form | | Descriptor: | CALCIUM ION, Latrophilin-3 | | Authors: | Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, Von daake, S, Li, S, Demeler, B, Hendrickson, W.A, Comoletti, D. | | Deposit date: | 2014-10-21 | | Release date: | 2015-08-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development.
Structure, 23, 2015
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7XJ2
 | | Structure of human TRPV3_G573S in complex with Trpvicin in C4 symmetry | | Descriptor: | Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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7XJ3
 | | Structure of human TRPV3 | | Descriptor: | [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, fusion of transient receptor potential cation channel subfamily V member 3 and 3C-GFP | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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7XJ1
 | | Structure of human TRPV3_G573S in complex with Trpvicin in C2 symmetry | | Descriptor: | Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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1B4X
 | | ASPARTATE AMINOTRANSFERASE FROM E. COLI, C191S MUTATION, WITH BOUND MALEATE | | Descriptor: | ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Jeffery, C.J, Gloss, L.M, Petsko, G.A, Ringe, D. | | Deposit date: | 1998-12-30 | | Release date: | 2000-10-27 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The role of residues outside the active site: structural basis for function of C191 mutants of Escherichia coli aspartate aminotransferase.
Protein Eng., 13, 2000
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7XJ0
 | | Structure of human TRPV3 in complex with Trpvicin | | Descriptor: | Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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