6PR4
 
 | |
6P7C
 | |
6P9E
 | | Crystal structure of IL-36gamma complexed to A-552 | | 分子名称: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | | 著者 | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | | 登録日 | 2019-06-10 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
|
|
6PDT
 | | cryoEM structure of yeast glucokinase filament | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Glucokinase-1, MAGNESIUM ION, ... | | 著者 | Lynch, E.M, Dosey, A.M, Farrell, D.P, Stoddard, P.R, Kollman, J.M. | | 登録日 | 2019-06-19 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Polymerization in the actin ATPase clan regulates hexokinase activity in yeast.
Science, 367, 2020
|
|
6P7D
 | | D104N S. typhimurium siroheme synthase | | 分子名称: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase | | 著者 | Pennington, J.M, Stroupe, M.E. | | 登録日 | 2019-06-05 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
|
|
6P90
 | | Crystal structure of PaDHDPS2-H56Q mutant | | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, GLYCEROL | | 著者 | Impey, R.E, Panjikar, S, Hall, C.J, Bock, L.J, Sutton, J.M, Perugini, M.A, Soares da Costa, T.P. | | 登録日 | 2019-06-08 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of two dihydrodipicolinate synthase isoforms from Pseudomonas aeruginosa that differ in allosteric regulation.
Febs J., 287, 2020
|
|
6PDN
 | | Human PIM1 bound to benzothiophene inhibitor 292 | | 分子名称: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Human PIM1
To Be Published
|
|
6PDO
 | | Human PIM1 bound to benzothiophene inhibitor 354 | | 分子名称: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Human PIM1
To Be Published
|
|
8TFV
 | | INSECT DEFENSE PEPTIDE | | 分子名称: | PROTEIN (THANATIN) | | 著者 | Mandard, N, Sodano, P, Labbe, H, Bonmatin, J.M, Bulet, P, Hetru, C, Ptak, M, Vovelle, F. | | 登録日 | 1998-11-24 | | 公開日 | 1998-12-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of thanatin, a potent bactericidal and fungicidal insect peptide, determined from proton two-dimensional nuclear magnetic resonance data.
Eur.J.Biochem., 256, 1998
|
|
6PR2
 | | R261A/S128A S. typhimurium siroheme synthase | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Pennington, J.M, Stroupe, M.E. | | 登録日 | 2019-07-10 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
|
|
6PHS
 | | Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-25 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.129 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
|
|
4IW0
 | | Crystal structure and mechanism of activation of TBK1 | | 分子名称: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | | 著者 | Larabi, A, Devos, J.M, Ng, S.-L, Nanao, M.H, Round, A, Maniatis, T, Panne, D. | | 登録日 | 2013-01-23 | | 公開日 | 2013-03-13 | | 最終更新日 | 2013-05-22 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
|
|
6PFW
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, apo state | | 分子名称: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
|
|
6P5X
 | | Sirohydrochlorin-bound S. typhimurium siroheme synthase | | 分子名称: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Pennington, J.M, Stroupe, M.E. | | 登録日 | 2019-05-31 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
|
|
6PK7
 | |
6PJJ
 | | Human PRPF4B bound to benzothiophene inhibitor 224 | | 分子名称: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | to be published
To Be Published
|
|
5QD4
 | | Crystal structure of BACE complex with BMC023 | | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-12-01 | | 公開日 | 2020-06-03 | | 最終更新日 | 2021-02-10 | | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
|
|
4IGI
 | | Crystal structure of the Collagen VI alpha3 N5 domain | | 分子名称: | Collagen alpha3(VI) | | 著者 | Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M. | | 登録日 | 2012-12-17 | | 公開日 | 2013-12-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein
Structure, 22, 2014
|
|
6P9W
 | | Poliovirus (Type 1 Mahoney), receptor catalysed 135S particle map | | 分子名称: | VP1, VP2, VP3 | | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | | 登録日 | 2019-06-10 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-10-21 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate.
Plos Pathog., 16, 2020
|
|
8TB7
 | | Cryo-EM Structure of GPR61- | | 分子名称: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | | 著者 | Lees, J.A, Dias, J.M, Han, S. | | 登録日 | 2023-06-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
|
|
4IJI
 | | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione | | 分子名称: | ACRYLIC ACID, BENZOIC ACID, Glutathione S-transferase-like protein YibF, ... | | 著者 | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2012-12-21 | | 公開日 | 2013-02-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione
To be Published
|
|
8TB0
 | | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | | 分子名称: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Lees, J.A, Dias, J.M, Han, S. | | 登録日 | 2023-06-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
|
|
6PDI
 | | Human PIM1 bound to benzothiophene inhibitor 224 | | 分子名称: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... | | 著者 | Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Human PIM1
To Be Published
|
|
6PG0
 | | Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, vanadate bound state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-06-23 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
|
|
8SMR
 | |
