6SMZ
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5NRO
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![BU of 5nro by Molmil](/molmil-images/mine/5nro) | Structure of full-length DnaK with bound J-domain | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaJ, Chaperone protein DnaK, ... | 著者 | Kopp, J, Kityk, R, Mayer, M.P. | 登録日 | 2017-04-25 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Molecular Mechanism of J-Domain-Triggered ATP Hydrolysis by Hsp70 Chaperones. Mol. Cell, 69, 2018
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7BO6
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![BU of 7bo6 by Molmil](/molmil-images/mine/7bo6) | VDR complex with LCA derivative | 分子名称: | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2021-01-24 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Lithocholic acid-based design of noncalcemic vitamin D receptor agonists. Bioorg.Chem., 111, 2021
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7B91
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5N4W
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![BU of 5n4w by Molmil](/molmil-images/mine/5n4w) | Crystal structure of the Cul2-Rbx1-EloBC-VHL ubiquitin ligase complex | 分子名称: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | 著者 | Cardote, T.A.F, Gadd, M.S, Ciulli, A. | 登録日 | 2017-02-11 | 公開日 | 2017-06-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | 主引用文献 | Crystal Structure of the Cul2-Rbx1-EloBC-VHL Ubiquitin Ligase Complex. Structure, 25, 2017
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7BK4
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![BU of 7bk4 by Molmil](/molmil-images/mine/7bk4) | Crystal structure of RXRalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | 分子名称: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | le Maire, A, Bourguet, W. | 登録日 | 2021-01-15 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
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5NBP
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![BU of 5nbp by Molmil](/molmil-images/mine/5nbp) | Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16 in complex with G4G4G3G Product | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | 著者 | Hemsworth, G.R, Tamura, K, Dejean, G, Rogers, T.E, Pudlo, N.A, Urs, K, Jain, N, Martens, E.C, Brumer, H, Davies, G.J. | 登録日 | 2017-03-02 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular Mechanism by which Prominent Human Gut Bacteroidetes Utilize Mixed-Linkage Beta-Glucans, Major Health-Promoting Cereal Polysaccharides. Cell Rep, 21, 2017
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7BFZ
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![BU of 7bfz by Molmil](/molmil-images/mine/7bfz) | X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490 | 分子名称: | (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rakhimbekova, A, Motlova, L, Barinka, C. | 登録日 | 2021-01-05 | 公開日 | 2021-08-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging. Nat Commun, 12, 2021
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7BJ9
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![BU of 7bj9 by Molmil](/molmil-images/mine/7bj9) | Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a | 分子名称: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2021-01-14 | 公開日 | 2021-08-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.21000588 Å) | 主引用文献 | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode. Acs Infect Dis., 7, 2021
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5N6Q
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![BU of 5n6q by Molmil](/molmil-images/mine/5n6q) | Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with 2-phenylacrylic acid | 分子名称: | 2-Phenylacrylic acid, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | 著者 | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | 登録日 | 2017-02-15 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural insights into the ene-reductase synthesis of profens. Org. Biomol. Chem., 15, 2017
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7BIW
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6SKT
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7BJB
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7BJ8
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![BU of 7bj8 by Molmil](/molmil-images/mine/7bj8) | Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | 分子名称: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2021-01-14 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode. Acs Infect Dis., 7, 2021
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5N7V
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![BU of 5n7v by Molmil](/molmil-images/mine/5n7v) | TTK kinase domain in complex with MPI-0479605 | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine | 著者 | Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R. | 登録日 | 2017-02-21 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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6SXT
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![BU of 6sxt by Molmil](/molmil-images/mine/6sxt) | GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | 登録日 | 2019-09-26 | 公開日 | 2020-02-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.466 Å) | 主引用文献 | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
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6SLW
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![BU of 6slw by Molmil](/molmil-images/mine/6slw) | Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1 | 著者 | Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. | 登録日 | 2019-08-20 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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7BIG
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![BU of 7big by Molmil](/molmil-images/mine/7big) | Crystal structure of v13WRAP-T, a 7-bladed designer protein | 分子名称: | CHLORIDE ION, v13WRAP-T | 著者 | Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. | 登録日 | 2021-01-12 | 公開日 | 2021-09-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
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6SM7
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7BID
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![BU of 7bid by Molmil](/molmil-images/mine/7bid) | Crystal structure of v31WRAP-T, a 7-bladed designer protein | 分子名称: | v31WRAP-T | 著者 | Laier, I, Mylemans, B, Lee, X.Y, Voet, A.R.D. | 登録日 | 2021-01-12 | 公開日 | 2021-09-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
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5NFH
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![BU of 5nfh by Molmil](/molmil-images/mine/5nfh) | Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor | 分子名称: | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Robinson, D.A, Eadsforth, T.C, Shepherd, S.M, Torrie, L.S, De Rycker, M, Gilbert, I.H. | 登録日 | 2017-03-14 | 公開日 | 2017-10-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Chemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani. ACS Infect Dis, 3, 2017
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7BIE
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![BU of 7bie by Molmil](/molmil-images/mine/7bie) | Crystal structure of nvWrap-T, a 7-bladed symmetric propeller | 分子名称: | CITRIC ACID, nvWRAP-T | 著者 | Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. | 登録日 | 2021-01-12 | 公開日 | 2021-09-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
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7BIF
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![BU of 7bif by Molmil](/molmil-images/mine/7bif) | Crystal structure of v22WRAP-T, a 7-bladed designer protein | 分子名称: | v22WRAP-T | 著者 | Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. | 登録日 | 2021-01-12 | 公開日 | 2021-09-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
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6SNQ
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![BU of 6snq by Molmil](/molmil-images/mine/6snq) | Crystal structures of human PGM1 isoform 2 | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, Phosphoglucomutase-1, ZINC ION | 著者 | Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M. | 登録日 | 2019-08-27 | 公開日 | 2020-04-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily. Sci Rep, 10, 2020
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7BLY
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![BU of 7bly by Molmil](/molmil-images/mine/7bly) | Structure of the chitin deacetylase AngCDA from Aspergillus niger | 分子名称: | Aspergillus niger contig An12c0130, genomic contig, CHLORIDE ION, ... | 著者 | Roret, T, Bonin, M, Hembach, L, Moerschbacher, B.M. | 登録日 | 2021-01-19 | 公開日 | 2021-09-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences. J.Biol.Chem., 297, 2021
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