1WPK
 
 | | Methylated Form of N-terminal Transcriptional Regulator Domain of Escherichia Coli Ada Protein | | Descriptor: | ADA regulatory protein, ZINC ION | | Authors: | Takinowaki, H, Matsuda, Y, Yoshida, T, Kobayashi, Y, Ohkubo, T. | | Deposit date: | 2004-09-07 | | Release date: | 2005-09-13 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the methylated form of the N-terminal 16-kDa domain of Escherichia coli Ada protein
Protein Sci., 15, 2006
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2D35
 | | Solution structure of Cell Division Reactivation Factor, CedA | | Descriptor: | Cell division activator cedA | | Authors: | Abe, Y, Watanabe, N, Matsuda, Y, Yoshida, Y, Katayama, T, Ueda, T. | | Deposit date: | 2005-09-26 | | Release date: | 2006-12-12 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis and Molecular Interaction of Cell Division Reactivation Factor, CedA from Escherichia coli
To be Published
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5WQH
 | | Structure of fungal meroterpenoid isomerase Trt14 complexed with substrate analog and endo-terretonin D | | Descriptor: | CALCIUM ION, Isomerase trt14, methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate, ... | | Authors: | Mori, T, Matsuda, Y, Abe, I. | | Deposit date: | 2016-11-26 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017
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5WQI
 | | Structure of fungal meroterpenoid isomerase Trt14 complexed with hydrolyzed product | | Descriptor: | (1R,2S,4aS,4bS,8aS,10S,10aS)-2-[(2S)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid, CALCIUM ION, Isomerase trt14 | | Authors: | Mori, T, Matsuda, Y, Abe, I. | | Deposit date: | 2016-11-27 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017
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5WQF
 | | Structure of fungal meroterpenoid isomerase Trt14 | | Descriptor: | CALCIUM ION, Isomerase trt14, N-PROPANOL | | Authors: | Mori, T, Iwabuchi, T, Matsuda, Y, Abe, I. | | Deposit date: | 2016-11-26 | | Release date: | 2017-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017
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5WQG
 | | Structure of fungal meroterpenoid isomerase Trt14 complexed with terretonin D | | Descriptor: | CALCIUM ION, Isomerase trt14, methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate | | Authors: | Mori, T, Matsuda, Y, Abe, I. | | Deposit date: | 2016-11-26 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017
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5X9K
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5X9J
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7DEM
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | 5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Mima, M, Ushiyama, F, Matsuda, Y. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532.
Bioorg.Med.Chem., 30, 2020
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6LZH
 | | Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18 | | Descriptor: | GrgF, SODIUM ION | | Authors: | Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M. | | Deposit date: | 2020-02-19 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
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8GRT
 | | Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7 | | Descriptor: | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, Dipeptidyl-peptidase, TYROSINE | | Authors: | Yasumitsu, S, Koushi, H, Akihiro, N, Yoshiyuki, Y, Wataru, O, Mizuki, S, Saori, R, Nobutada, T, Anna, M, Keiko, H, Tsuda, Y. | | Deposit date: | 2022-09-02 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia
To Be Published
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5UGG
 | | Protease Inhibitor | | Descriptor: | Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide, Plasminogen | | Authors: | Law, R.H.P, Wu, G, Whisstock, J.C. | | Deposit date: | 2017-01-08 | | Release date: | 2017-05-31 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
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5UGD
 | | Protease Inhibitor | | Descriptor: | Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide, Plasminogen | | Authors: | Law, R.H.P, Wu, G, Whisstock, J.C. | | Deposit date: | 2017-01-08 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
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6IXD
 | | X-ray crystal structure of bPI-11 hiv-1 protease complex | | Descriptor: | (4R)-3-[(2S,3S)-3-[2-[4-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Adachi, M, Hidaka, K. | | Deposit date: | 2018-12-10 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Acquired Removability of Aspartic Protease Inhibitors by Direct Biotinylation.
Bioconjug.Chem., 30, 2019
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3ANS
 | | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | | Descriptor: | 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide, Epoxide hydrolase 2 | | Authors: | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | | Deposit date: | 2010-09-08 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
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3ANT
 | | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | | Descriptor: | 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2 | | Authors: | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | | Deposit date: | 2010-09-08 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
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3CLF
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3CLE
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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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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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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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2E0G
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4XYD
 | | Nitric oxide reductase from Roseobacter denitrificans (RdNOR) | | Descriptor: | CALCIUM ION, COPPER (II) ION, FE (III) ION, ... | | Authors: | Crow, A. | | Deposit date: | 2015-02-02 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of the Membrane-intrinsic Nitric Oxide Reductase from Roseobacter denitrificans.
Biochemistry, 55, 2016
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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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