8AYH
 
 | |
7DH5
 | | Dog beta3 adrenergic receptor bound to mirabegron in complex with a miniGs heterotrimer | | Descriptor: | 2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide, Beta-3 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shihoya, W, Yamashita, K, Nureki, O. | | Deposit date: | 2020-11-12 | | Release date: | 2021-08-04 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Cryo-EM structure of the beta 3-adrenergic receptor reveals the molecular basis of subtype selectivity.
Mol.Cell, 81, 2021
|
|
4TN2
 | | NS5b in complex with lactam-thiophene carboxylic acids | | Descriptor: | 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein | | Authors: | Chopra, R. | | Deposit date: | 2014-06-02 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
4TLR
 | | NS5b in complex with lactam-thiophene carboxylic acids | | Descriptor: | 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b | | Authors: | Chopra, R. | | Deposit date: | 2014-05-30 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
6BMV
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP504 | | Descriptor: | 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
|
|
6BMR
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244 | | Descriptor: | 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.205 Å) | | Cite: | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
|
|
6BMY
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844 | | Descriptor: | 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ... | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
|
|
6BMU
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP244 | | Descriptor: | 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ... | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
|
|
6BMX
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844 | | Descriptor: | 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
|
|
6BMW
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504 | | Descriptor: | 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ... | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
|
|
6G3B
 | | AvaII restriction endonuclease in complex with an RNA/DNA hybrid | | Descriptor: | DNA (5'-D(*CP*CP*AP*TP*GP*GP*TP*CP*CP*TP*A)-3'), RNA (5'-R(P*GP*UP*AP*GP*GP*AP*CP*CP*AP*UP*G)-3'), Type II site-specific deoxyribonuclease | | Authors: | Kisiala, M, Kowalska, M, Czapinska, H, Bochtler, M. | | Deposit date: | 2018-03-24 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation
Nucleic Acids Res., 2020
|
|
6S58
 | | AvaII restriction endonuclease in the absence of nucleic acids | | Descriptor: | CALCIUM ION, Type II site-specific deoxyribonuclease, UNKNOWN ATOM OR ION | | Authors: | Kisiala, M, Kowalska, M, Korza, H, Czapinska, H, Bochtler, M. | | Deposit date: | 2019-06-30 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation.
Nucleic Acids Res., 48, 2020
|
|
6S48
 | | AvaII RESTRICTION ENDONUCLEASE IN COMPLEX WITH PARTIALLY CLEAVED dsDNA | | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, DNA (5'-D(*GP*AP*TP*G)-3'), ... | | Authors: | Kisiala, M, Kowalska, M, Korza, H, Czapinska, H, Bochtler, M. | | Deposit date: | 2019-06-26 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation.
Nucleic Acids Res., 48, 2020
|
|
7ZW0
 | | FAP-80S Complex - Rotated state | | Descriptor: | 18S ribosomal RNA (RDN18-1), 25S ribosomal RNA (RDN25-1), 40S ribosomal protein S0-A, ... | | Authors: | Ikeuchi, K, Buschauer, R, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2022-05-17 | | Release date: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Sensing of individual stalled 80S ribosomes by Fap1 for nonfunctional rRNA turnover.
Mol.Cell, 82, 2022
|
|
3WRY
 | | Crystal structure of helicase complex 2 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Matsumura, H, Katoh, E. | | Deposit date: | 2014-02-27 | | Release date: | 2014-08-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
3WRX
 | | Crystal structure of helicase complex 1 | | Descriptor: | CESIUM ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Matsumura, H, Katoh, E. | | Deposit date: | 2014-02-27 | | Release date: | 2014-08-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5DRB
 | | Crystal structure of WNK1 in complex with WNK463 | | Descriptor: | N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1 | | Authors: | Kohls, D, Xie, X. | | Deposit date: | 2015-09-15 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
|
|
5EHR
 | |
5EHP
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836 | | Descriptor: | 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2015-10-28 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
|
|
5GTF
 | | Crystal structure of onion lachrymatory factor synthase (LFS) containing glycerol | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Lachrymatory-factor synthase, ... | | Authors: | Takabe, J, Arakawa, T, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | | Deposit date: | 2016-08-20 | | Release date: | 2017-08-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
|
|
5GTE
 | | Crystal structure of onion lachrymatory factor synthase (LFS), solute-free form | | Descriptor: | Lachrymatory-factor synthase, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Takabe, J, Arakawa, T, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | | Deposit date: | 2016-08-20 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
|
|
5GTG
 | | Crystal structure of onion lachrymatory factor synthase (LFS) containing 1,2-propanediol | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lachrymatory-factor synthase, S-1,2-PROPANEDIOL, ... | | Authors: | Arakawa, T, Sato, Y, Takabe, J, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | | Deposit date: | 2016-08-20 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
|
|
7JVN
 | |
7CDC
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
|
|
7CDF
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
|
|
