5X8Q
 
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. | | Descriptor: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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9F8W
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5AYG
 | | Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g | | Descriptor: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma | | Authors: | Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T. | | Deposit date: | 2015-08-20 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
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5X8X
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. | | Descriptor: | (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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6IVX
 | | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | | Descriptor: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | Authors: | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
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5KCA
 | | Crystal structure of the Cbln1 C1q domain trimer in complex with the amino-terminal domain (ATD) of iGluR Delta-2 (GluD2) | | Descriptor: | CALCIUM ION, Cerebellin-1,Cerebellin-1,Cerebellin-1,Glutamate receptor ionotropic, delta-2 | | Authors: | Elegheert, J, Aricescu, A.R. | | Deposit date: | 2016-06-05 | | Release date: | 2016-07-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
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5KC8
 | | Crystal structure of the amino-terminal domain (ATD) of iGluR Delta-2 (GluD2) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glutamate receptor ionotropic, ... | | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | | Deposit date: | 2016-06-05 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
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5KC5
 | | Crystal structure of the Cbln1 C1q domain trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | | Deposit date: | 2016-06-05 | | Release date: | 2016-07-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
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5KC9
 | | Crystal structure of the amino-terminal domain (ATD) of iGluR Delta-1 (GluD1) | | Descriptor: | 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | | Deposit date: | 2016-06-05 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
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5KC7
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5KC6
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5X8U
 | | Crystal Structure of the wild Human ROR gamma Ligand Binding Domain. | | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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5X8S
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Ursolic acid. | | Descriptor: | Nuclear receptor ROR-gamma, Ursolic acid | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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5X8W
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain. | | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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5XDN
 | | Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in P22121 space group | | Descriptor: | DECANE, DODECANE, HEXANE, ... | | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | | Deposit date: | 2017-03-28 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structural characterization reveals novel oligomeric interactions of human voltage-dependent anion channel 1
Protein Sci., 26, 2017
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7C3N
 | | Crystal structure of JAK3 in complex with Delgocitinib | | Descriptor: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | | Authors: | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | | Deposit date: | 2020-05-13 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
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5GZ9
 | | Crystal structure of catalytic domain of Protein O-mannosyl Kinase in complexes with AMP-PNP, Magnesium ions and glycopeptide | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein O-mannose kinase, ... | | Authors: | Nagae, M, Yamaguchi, Y. | | Deposit date: | 2016-09-27 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 3D structural analysis of protein O-mannosyl kinase, POMK, a causative gene product of dystroglycanopathy.
Genes Cells, 22, 2017
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5GZ8
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5XDO
 | | Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in C222 space group | | Descriptor: | HEXANE, N-OCTANE, PENTANE, ... | | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | | Deposit date: | 2017-03-28 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structural characterization reveals novel oligomeric interactions of human voltage-dependent anion channel 1
Protein Sci., 26, 2017
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4L1G
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4ZHK
 | | Crystal structure of RPE65 in complex with MB-002 | | Descriptor: | (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, FE (II) ION, ... | | Authors: | Kiser, P.D, Palczewski, K. | | Deposit date: | 2015-04-25 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
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5ZM4
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid C | | Descriptor: | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ... | | Authors: | Nakashima, Y, Senda, T. | | Deposit date: | 2018-04-01 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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5ZM2
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2ADM
 | | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI | | Descriptor: | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYLMETHIONINE | | Authors: | Schluckebier, G, Saenger, W. | | Deposit date: | 1996-07-15 | | Release date: | 1997-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
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7DV6
 | | Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents | | Descriptor: | 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2 | | Authors: | Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T. | | Deposit date: | 2021-01-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents.
Acs Med.Chem.Lett., 12, 2021
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