4L4Y
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2CT1
| Solution Structure of the zinc finger domain of Transcriptional repressor CTCF protein | Descriptor: | Transcriptional repressor CTCF, ZINC ION | Authors: | Miyamoto, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-23 | Release date: | 2005-11-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of the zinc finger domain of Transcriptional repressor CTCF protein To be Published
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2CTP
| Solution structure of J-domain from human DnaJ subfamily B menber 12 | Descriptor: | DnaJ homolog subfamily B member 12 | Authors: | Kobayashi, N, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-24 | Release date: | 2005-11-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of J-domain from human DnaJ subfamily B menber 12 To be Published
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4WX0
| UndA complexed with beta-hydroxydodecanoic acid | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, FE (III) ION, PEROXIDE ION, ... | Authors: | Li, X, Cate, J.D.H. | Deposit date: | 2014-11-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase. Proc.Natl.Acad.Sci.USA, 111, 2014
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6W2C
| Anomalous iodine signal reveals the position of I-paroxetine complexed with the serotonin transporter at the central site | Descriptor: | 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, I-paroxetine, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-03-05 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (6.3 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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6H52
| Crystal structure of human KDM5B in complex with compound 34g | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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3TKM
| Crystal structure PPAR delta binding GW0742 | Descriptor: | GLYCEROL, Peroxisome proliferator-activated receptor delta, {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid | Authors: | Trivella, D.B.B, Batista, F.H, Polikarpov, I. | Deposit date: | 2011-08-27 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding. Plos One, 7, 2012
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4L4Z
| Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition | Descriptor: | (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate, Transcriptional regulator LsrR | Authors: | Ryu, K.S, Ha, J.H, Eo, Y. | Deposit date: | 2013-06-10 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition. J.Am.Chem.Soc., 135, 2013
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7UBF
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7UBD
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7UBI
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7UCP
| computationally designed macrocycle | Descriptor: | computationally designed cyclic peptide D8.3.p2 | Authors: | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | Deposit date: | 2022-03-17 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
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7UZL
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7UBC
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7UBE
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7UBG
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7UBH
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4WNH
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6VRK
| Cryo-EM structure of the wild-type human serotonin transporter complexed with Br-paroxetine and 8B6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-02-07 | Release date: | 2020-03-11 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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6H51
| Crystal structure of human KDM5B in complex with compound 34f | Descriptor: | 1,2-ETHANEDIOL, 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6W2B
| Anomalous bromine signal reveals the position of Br-paroxetine complexed with the serotonin transporter at the central site | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-03-05 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.7 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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6VZI
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6W03
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6FM4
| The crystal structure of S. aureus Gyrase complex with ID-130 and DNA | Descriptor: | 5'-O-CARBOXY-2'-DEOXYADENOSINE, DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*C)-3'), DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Ombrato, R, Garofalo, B, Mangano, G, Mancini, F. | Deposit date: | 2018-01-30 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens. J.Med.Chem., 62, 2019
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2CU7
| Solution structure of the SANT domain of human KIAA1915 protein | Descriptor: | KIAA1915 protein | Authors: | Yoneyama, M, Umehara, T, Saito, K, Tochio, N, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-25 | Release date: | 2005-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural and Functional Differences of SWIRM Domain Subtypes J.Mol.Biol., 369, 2007
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