2E6W
 
 | | Solution structure and calcium binding properties of EF-hands 3 and 4 of calsenilin | | Descriptor: | CALCIUM ION, Calsenilin | | Authors: | Yu, L, Sun, C, Mendoza, R, Hebert, E, Pereda-Lopez, A, Hajduk, P.J, Olejniczak, E.T. | | Deposit date: | 2007-01-05 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and calcium-binding properties of EF-hands 3 and 4 of calsenilin.
Protein Sci., 16, 2007
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5N5C
 | | NMR solution structure of the TSL2 RNA hairpin | | Descriptor: | RNA (19-MER) | | Authors: | Garcia-Lopez, A, Wacker, A, Tessaro, F, Jonker, H.R.A, Richter, C, Comte, A, Berntenis, N, Schmucki, R, Hatje, K, Sciarra, D, Konieczny, P, Fournet, G, Faustino, I, Orozco, M, Artero, R, Goekjian, P, Metzger, F, Ebeling, M, Joseph, B, Schwalbe, H, Scapozza, L. | | Deposit date: | 2017-02-13 | | Release date: | 2018-03-14 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes.
Nat Commun, 9, 2018
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8P2F
 | | Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane in post-translocational state | | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ... | | Authors: | Gonzalez-Lopez, A, Selmer, M. | | Deposit date: | 2023-05-16 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
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8P2G
 | | Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane with a tRNA in pe/E chimeric state | | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ... | | Authors: | Gonzalez-Lopez, A, Selmer, M. | | Deposit date: | 2023-05-16 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.02 Å) | | Cite: | Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
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8P2H
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2JOD
 | | Pac1-Rshort N-terminal EC domain Pacap(6-38) complex | | Descriptor: | Pituitary adenylate cyclase-activating polypeptide, Pituitary adenylate cyclase-activating polypeptide type I receptor | | Authors: | Olejniczak, E.T, Sun, C, Song, D, Davis-Taber, R.A, Barrett, L.W, Scott, V.E, Richardson, P.L, Pereda-lopez, A, Uchic, M.E, Solomon, L.R, Lake, M.R, Walter, K.A, Hajduk, P.J. | | Deposit date: | 2007-03-07 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2MNI
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6U6X
 | | Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide | | Descriptor: | DNA SC-GS-SC-SC-DT, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | | Authors: | Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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6U6Y
 | | Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, RNA CGCCU, ... | | Authors: | Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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1HKQ
 | | PPS10 plasmid DNA replication initiator protein RepA. Replication inactive, dimeric N-terminal domain. | | Descriptor: | BENZOIC ACID, MERCURY (II) ION, PHOSPHATE ION, ... | | Authors: | Giraldo, R, Fernandez-Tornero, C, Evans, P.R, Diaz-Orejas, R, Romero, A. | | Deposit date: | 2003-03-11 | | Release date: | 2003-05-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A Conformational Switch between Transcriptional Repression and Replication Initiation in Repa Dimerization Domain
Nat.Struct.Biol., 10, 2003
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1QFD
 | | NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI) | | Descriptor: | PROTEIN (ALPHA-AMYLASE INHIBITOR) | | Authors: | Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S. | | Deposit date: | 1999-04-08 | | Release date: | 1999-07-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth.
J.Biol.Chem., 274, 1999
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6U6Z
 | | Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide | | Descriptor: | DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | | Authors: | Taylor, A.B, Yu, C.H, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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1JMP
 | | Solution Structure of the Viscotoxin B | | Descriptor: | viscotoxin B | | Authors: | Coulon, A, Mosbah, A, Bernard, C, Rouge, P, Urech, K, Darbon, H. | | Deposit date: | 2001-07-19 | | Release date: | 2003-11-11 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Comparative membrane interaction study of viscotoxins A3, A2 and B from mistletoe (Viscum album) and connections with their structures
Biochem.J., 374, 2003
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6XTF
 | | Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Buey, R.M, Gonzalez-Holgado, G, Fernandez-Justel, D, Balsera, M. | | Deposit date: | 2020-01-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria.
Plant Physiol., 186, 2021
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8P2E
 | | Homotypic interacting B1 fab bound to Chondroitin Sulfate A | | Descriptor: | B1 fab heavy, B1 fab light | | Authors: | Raghavan, S.S.R, Dagil, R, Wang, K.T, Salanti, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Tumor-agnostic cancer therapy using antibodies targeting oncofetal chondroitin sulfate.
Nat Commun, 15, 2024
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6MFE
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000773 (Compound 11g) Complex | | Descriptor: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | | Authors: | Taylor, A.B. | | Deposit date: | 2018-09-10 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.444 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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7PJI
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6BDP
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000071 (Compound 9c) Complex | | Descriptor: | (4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | | Authors: | Taylor, A.B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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6BDR
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000206 (Compound 9f) Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol | | Authors: | Taylor, A.B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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6BDS
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000204 (Compound 11f) Complex | | Descriptor: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | | Authors: | Taylor, A.B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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6BDQ
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8C14
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8C1D
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.115 Å) | | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8C1H
 | | Aurora A kinase in complex with TPX2-inhibitor 8 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8C1M
 | | Aurora A kinase in complex with TPX2-inhibitor 2 | | Descriptor: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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