6IZM
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![BU of 6izm by Molmil](/molmil-images/mine/6izm) | Crystal structure of the PPARgamma-LBD complexed with compound 1l | Descriptor: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2018-12-20 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930. Acs Med.Chem.Lett., 10, 2019
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5Z5S
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![BU of 5z5s by Molmil](/molmil-images/mine/5z5s) | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | Descriptor: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2018-01-19 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification. Bioorg. Med. Chem., 26, 2018
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5Z6S
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![BU of 5z6s by Molmil](/molmil-images/mine/5z6s) | Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | Descriptor: | 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2018-01-25 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization. Bioorg. Med. Chem., 26, 2018
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4L60
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4L6P
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7VWS
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![BU of 7vws by Molmil](/molmil-images/mine/7vws) | Carbazole Prenyl Transferase LvqB4 | Descriptor: | 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione, LvqB4, MAGNESIUM ION, ... | Authors: | Suemune, H, Nagata, R, Kuzuyama, T, Nagano, S. | Deposit date: | 2021-11-11 | Release date: | 2022-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural Basis for the Prenylation Reaction of Carbazole-Containing Natural Products Catalyzed by Squalene Synthase-Like Enzymes. Angew.Chem.Int.Ed.Engl., 61, 2022
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7VWT
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![BU of 7vwt by Molmil](/molmil-images/mine/7vwt) | Carbazole Prenyl Transferase CqsB4 | Descriptor: | 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione, CqsB4, DI(HYDROXYETHYL)ETHER, ... | Authors: | Suemune, H, Nagata, R, Kuzuyama, T, Nagano, S. | Deposit date: | 2021-11-11 | Release date: | 2022-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Basis for the Prenylation Reaction of Carbazole-Containing Natural Products Catalyzed by Squalene Synthase-Like Enzymes. Angew.Chem.Int.Ed.Engl., 61, 2022
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1S17
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![BU of 1s17 by Molmil](/molmil-images/mine/1s17) | Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors | Descriptor: | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ... | Authors: | Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y. | Deposit date: | 2004-01-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of novel potent bicyclic peptide deformylase inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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1KQ3
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![BU of 1kq3 by Molmil](/molmil-images/mine/1kq3) | CRYSTAL STRUCTURE OF A GLYCEROL DEHYDROGENASE (TM0423) FROM THERMOTOGA MARITIMA AT 1.5 A RESOLUTION | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ZINC ION, ... | Authors: | Wilson, I.A, Miller, M.D, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2002-01-03 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural genomics of the Thermotoga maritima proteome implemented in a high-throughput structure determination pipeline Proc.Natl.Acad.Sci.USA, 99, 2002
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1KQ4
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4ZY3
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![BU of 4zy3 by Molmil](/molmil-images/mine/4zy3) | Crystal Structure of Keap1 in Complex with a small chemical compound, K67 | Descriptor: | FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide) | Authors: | Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M. | Deposit date: | 2015-05-21 | Release date: | 2016-05-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming Nat Commun, 7, 2016
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8IG0
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![BU of 8ig0 by Molmil](/molmil-images/mine/8ig0) | Crystal structure of menin in complex with DS-1594b | Descriptor: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Suzuki, M, Yoneyama, T, Imai, E. | Deposit date: | 2023-02-20 | Release date: | 2023-03-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1. Cancer Cell Int, 23, 2023
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6LKM
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![BU of 6lkm by Molmil](/molmil-images/mine/6lkm) | Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide | Descriptor: | 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | Deposit date: | 2019-12-19 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity To be published
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6LOP
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![BU of 6lop by Molmil](/molmil-images/mine/6lop) | Crystal Structure of Class IB terpene synthase bound with geranylgeraniol | Descriptor: | (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol, Tetraprenyl-beta-curcumene synthase | Authors: | Fujihashi, M, Inagi, H, Miki, K. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Characterization of Class IB Terpene Synthase: The First Crystal Structure Bound with a Substrate Surrogate. Acs Chem.Biol., 15, 2020
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7D83
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![BU of 7d83 by Molmil](/molmil-images/mine/7d83) | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid | Descriptor: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION | Authors: | Sugiyama, S, Sekiguchi, Y. | Deposit date: | 2020-10-07 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond. Bioorg.Med.Chem.Lett., 33, 2020
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1W1W
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![BU of 1w1w by Molmil](/molmil-images/mine/1w1w) | Sc Smc1hd:Scc1-C complex, ATPgS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SISTER CHROMATID COHESION PROTEIN 1, ... | Authors: | Haering, C, Nasmyth, K, Lowe, J. | Deposit date: | 2004-06-24 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure and stability of cohesin's Smc1-kleisin interaction. Mol. Cell, 15, 2004
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1DCJ
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![BU of 1dcj by Molmil](/molmil-images/mine/1dcj) | SOLUTION STRUCTURE OF YHHP, A NOVEL ESCHERICHIA COLI PROTEIN IMPLICATED IN THE CELL DIVISION | Descriptor: | YHHP PROTEIN | Authors: | Katoh, E, Hatta, T, Shindo, H, Mizuno, T, Yamazaki, T. | Deposit date: | 1999-11-05 | Release date: | 2001-07-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High precision NMR structure of YhhP, a novel Escherichia coli protein implicated in cell division. J.Mol.Biol., 304, 2000
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6M1B
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![BU of 6m1b by Molmil](/molmil-images/mine/6m1b) | A new V27M variant of beta 2 microglobulin induced amyloidosis in a patient with long-term hemodialysis | Descriptor: | Beta-2-microglobulin, CALCIUM ION, GLYCEROL, ... | Authors: | So, M, Nakahara, S, Nakaniwa, T, Tanaka, H, Kurisu, G, Goto, Y. | Deposit date: | 2020-02-25 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Dialysis-related amyloidosis associated with a novel beta 2 -microglobulin variant. Amyloid, 28, 2021
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1JQN
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1JQO
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1HQC
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![BU of 1hqc by Molmil](/molmil-images/mine/1hqc) | STRUCTURE OF RUVB FROM THERMUS THERMOPHILUS HB8 | Descriptor: | ADENINE, MAGNESIUM ION, RUVB | Authors: | Yamada, K, Kunishima, N, Mayanagi, K, Iwasaki, H, Morikawa, K. | Deposit date: | 2000-12-15 | Release date: | 2001-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the Holliday junction migration motor protein RuvB from Thermus thermophilus HB8. Proc.Natl.Acad.Sci.USA, 98, 2001
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1WU1
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4W4S
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![BU of 4w4s by Molmil](/molmil-images/mine/4w4s) | Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum in complex with BPH-629 | Descriptor: | Uncharacterized protein blr2150, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | Authors: | Liu, W, Zheng, Y, Huang, C.H, Guo, R.T. | Deposit date: | 2014-08-15 | Release date: | 2015-01-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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4W4R
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![BU of 4w4r by Molmil](/molmil-images/mine/4w4r) | Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum | Descriptor: | Uncharacterized protein blr2150 | Authors: | Liu, W, Zheng, Y, Huang, C.H, Ko, T.P, Guo, R.T. | Deposit date: | 2014-08-15 | Release date: | 2015-01-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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1C8A
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![BU of 1c8a by Molmil](/molmil-images/mine/1c8a) | |