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3FHW
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Crystal structure of the protein priB from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR162.
分子名称: DI(HYDROXYETHYL)ETHER, Primosomal replication protein n, SODIUM ION
著者Kuzin, A.P, Neely, H, Seetharaman, J, Forouhar, F, Wang, D, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-12-10
公開日2008-12-30
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the protein priB from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR162.
To be Published
6E5Z
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Crystal structure of human DJ-1 with a natural modification on Cys-106
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Shumilin, I.A, Shumilina, S.V, Minor, W.
登録日2018-07-23
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1.
Biochem. Biophys. Res. Commun., 504, 2018
5PZS
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea
分子名称: Fructose-1,6-bisphosphatase 1, N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-11
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea
To be published
5PZR
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BU of 5pzr by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[3-[3-[(3-chlorophenyl)sulfonylcarbamoylamino]propoxy]propyl]urea
分子名称: Fructose-1,6-bisphosphatase 1, N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-11
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[3-[3-[(3-chlorophenyl)sulfonylcarbamoylamino]propoxy]propyl]urea
To be published
5Q06
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylurea
To be published
5Q09
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-[4-bromo-6-(carbamoylamino)pyridin-2-yl]-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-16
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-[4-bromo-6-(carbamoylamino)pyridin-2-yl]-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
To be published
6B31
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Structure of RORgt in complex with a novel inverse agonist 2
分子名称: (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma
著者Skene, R.J, Hoffman, I.
登録日2017-09-20
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist.
Bioorg. Med. Chem., 26, 2018
6O98
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Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
分子名称: 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2019-03-13
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
ACS Med Chem Lett, 10, 2019
5C31
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Constitutively active Sin recombinase catalytic domain reveals two rotational intermediates
分子名称: SULFATE ION, Sin, putative plasmid resolvase dimer
著者Trejo, C.S, Rice, P.A.
登録日2015-06-16
公開日2016-12-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Snapshots of a molecular swivel in action
Nucleic Acids Res., 2018
5NPT
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BU of 5npt by Molmil
Structure of the N-terminal domain of the yeast telomerase reverse transcriptase
分子名称: Telomerase reverse transcriptase
著者Rodina, E.V, Lebedev, A.A, Hakanpaa, J, Hackenberg, C, Petrova, O.A, Zvereva, M.I, Dontsova, O.A, Lamzin, V.S.
登録日2017-04-18
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and function of the N-terminal domain of the yeast telomerase reverse transcriptase.
Nucleic Acids Res., 46, 2018
5IXK
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BU of 5ixk by Molmil
RORgamma in complex with inverse agonist BIO399.
分子名称: N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma
著者Marcotte, D.J.
登録日2016-03-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
5IZ0
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BU of 5iz0 by Molmil
RORgamma in complex with agonist BIO592 and Coactivator EBI96
分子名称: CHLORIDE ION, GLU-PHE-PRO-TYR-LEU-LEU-SER-LEU-LEU-GLY-GLU-VAL-SER-PRO-GLN, N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, ...
著者Marcotte, D.J.
登録日2016-03-24
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.635 Å)
主引用文献Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
6AUG
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BU of 6aug by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with SR16832
分子名称: 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2017-08-31
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
4XYI
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BU of 4xyi by Molmil
Mis16 with H4 peptide
分子名称: Histone H4, Kinetochore protein Mis16
著者An, S, Kim, H, Cho, U.-S.
登録日2015-02-02
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mis16 Independently Recognizes Histone H4 and the CENP-ACnp1-Specific Chaperone Scm3sp.
J.Mol.Biol., 427, 2015
4XT9
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RORgamma (263-509) complexed with GSK2435341A and SRC2
分子名称: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Wang, Y, Ma, Y.
登録日2015-01-23
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
6ONJ
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BU of 6onj by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with TRAP220 peptide and agonist rosiglitazone
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Mediator of RNA polymerase II transcription subunit 1, ...
著者Shang, J, Kojetin, D.J.
登録日2019-04-22
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
4XUH
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PPARgamma ligand binding domain in complex with sulindac sulfide
分子名称: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Polikaporv, I, Webb, P.
登録日2015-01-25
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
5J9S
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BU of 5j9s by Molmil
ENL YEATS in complex with histone H3 acetylation at K27
分子名称: H3K27ac peptide from Histone H3.1, Protein ENL, SULFATE ION
著者Li, Y, Li, H.
登録日2016-04-11
公開日2017-03-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献ENL links histone acetylation to oncogenic gene expression in acute myeloid leukaemia
Nature, 543, 2017
4XUM
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PPARgamma ligand binding domain in complex with indomethacin
分子名称: INDOMETHACIN, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Webb, P, Polikarpov, I.
登録日2015-01-26
公開日2015-11-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
2A0C
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Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
分子名称: 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2
著者Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M.
登録日2005-06-16
公開日2006-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
5TOA
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Crystal Structure of ER beta bound to Estradiol
分子名称: ESTRADIOL, Estrogen receptor beta
著者Textor, L, Nascimento, A.S, Polikarpov, I.
登録日2016-10-17
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternative conformation of ER beta bound to estradiol reveals H12 in a stable antagonist position.
Sci Rep, 7, 2017
5U3R
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BU of 5u3r by Molmil
Human PPARdelta ligand-binding domain in complexed with specific agonist 2
分子名称: 6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ...
著者Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P.
登録日2016-12-03
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U43
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Human PPARdelta ligand-binding domain in complexed with specific agonist 12
分子名称: 6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ...
著者Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P.
登録日2016-12-03
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5PZT
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea
To be published
5PZY
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(2-chlorophenyl)sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(2-chlorophenyl)sulfonylurea
To be published

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