6LS2
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6LS4
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![BU of 6ls4 by Molmil](/molmil-images/mine/6ls4) | A novel anti-tumor agent S-40 in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity. Cancer Lett., 495, 2020
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6LSU
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![BU of 6lsu by Molmil](/molmil-images/mine/6lsu) | Crystal structure of Uso1-2 | Descriptor: | Intracellular protein transport protein USO1 | Authors: | Heo, Y.Y, Lee, H.H. | Deposit date: | 2020-01-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of Uso1 membrane tether reveal an alternative conformation in the globular head domain Sci Rep, 10, 2020
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6LK3
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![BU of 6lk3 by Molmil](/molmil-images/mine/6lk3) | The Functional Characterization and Crystal Structure of Type II Peptidyl Carrier Protein ColA1a in Collismycins Biosynthesis | Descriptor: | Putative free-standing acyl carrier protein | Authors: | Ma, X.Y, Wang, G.Y, Liu, T, Chi, C.B, Zhang, Z.Y, Yang, D.H, Liu, W, Ma, M. | Deposit date: | 2019-12-18 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The functional characterization and crystal structure of type II peptidyl carrier protein ColA1a in collismycins biosynthesis. Chin.J.Chem., 38, 2020
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6LT9
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6LL4
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![BU of 6ll4 by Molmil](/molmil-images/mine/6ll4) | Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | (9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole, 1,2-ETHANEDIOL, 2'-amino[1,1'-biphenyl]-2,3-diol, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase with To Be Published
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4GL4
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![BU of 4gl4 by Molmil](/molmil-images/mine/4gl4) | Crystal structure of oxidized S-nitrosoglutathione reductase from Arabidopsis thalina, complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-3, SULFATE ION, ... | Authors: | Weichsel, A, Crotty, J, Montfort, W.R. | Deposit date: | 2012-08-13 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and kinetic behavior of alcohol dehydrogenase III/S-nitrosoglutathione reductase from arabidopsis thalina To be Published
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6LLM
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![BU of 6llm by Molmil](/molmil-images/mine/6llm) | Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BIPHENYL-2,3-DIOL, DIMETHYL SULFOXIDE, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase To Be Published
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4V26
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![BU of 4v26 by Molmil](/molmil-images/mine/4v26) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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6LTZ
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6LMY
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![BU of 6lmy by Molmil](/molmil-images/mine/6lmy) | Crystal structure of DUSP22 mutant_C88S/S93A | Descriptor: | Dual specificity protein phosphatase 22, PHOSPHATE ION | Authors: | Lai, C.H, Lyu, P.C. | Deposit date: | 2019-12-27 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases. Int J Mol Sci, 21, 2020
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4V3A
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![BU of 4v3a by Molmil](/molmil-images/mine/4v3a) | Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | Deposit date: | 2014-10-17 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin. Plos Biol., 13, 2015
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6LN4
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![BU of 6ln4 by Molmil](/molmil-images/mine/6ln4) | Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a | Descriptor: | 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-28 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
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4V3M
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![BU of 4v3m by Molmil](/molmil-images/mine/4v3m) | Membrane bound pleurotolysin prepore (TMH2 helix lock) trapped with engineered disulphide cross-link | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | Deposit date: | 2014-10-20 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (17 Å) | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin. Plos Biol., 13, 2015
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6LNL
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![BU of 6lnl by Molmil](/molmil-images/mine/6lnl) | ASFV core shell protein p15 | Descriptor: | 60 kDa polyprotein | Authors: | Guo, F, Shi, Y, Peng, G. | Deposit date: | 2019-12-30 | Release date: | 2020-12-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9286 Å) | Cite: | The structural basis of African swine fever virus core shell protein p15 binding to DNA. Faseb J., 35, 2021
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6LOT
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![BU of 6lot by Molmil](/molmil-images/mine/6lot) | Crystal structure of DUSP22 mutant_N128D | Descriptor: | Dual specificity protein phosphatase 22, SULFATE ION | Authors: | Lai, C.H, Lyu, P.C. | Deposit date: | 2020-01-07 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases. Int J Mol Sci, 21, 2020
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3MLP
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![BU of 3mlp by Molmil](/molmil-images/mine/3mlp) | Early B-cell Factor 1 (Ebf1) bound to DNA | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*TP*TP*TP*AP*TP*TP*CP*CP*CP*AP*TP*GP*GP*GP*AP*AP*TP*AP*AP*AP*G)-3'), Transcription factor COE1, ... | Authors: | Treiber, N, Treiber, T, Zocher, G, Grosschedl, R. | Deposit date: | 2010-04-17 | Release date: | 2010-12-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of an Ebf1:DNA complex reveals unusual DNA recognition and structural homology with Rel proteins Genes Dev., 24, 2010
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4W4M
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![BU of 4w4m by Molmil](/molmil-images/mine/4w4m) | Crystal structure of PrgK 19-92 | Descriptor: | Lipoprotein PrgK | Authors: | Bergeron, J.R.C, Strynadka, N.C.J. | Deposit date: | 2014-08-15 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body. Structure, 23, 2015
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4W4T
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![BU of 4w4t by Molmil](/molmil-images/mine/4w4t) | The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway | Descriptor: | ACETATE ION, MxaA | Authors: | Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J. | Deposit date: | 2014-08-15 | Release date: | 2015-08-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols. Chem.Biol., 22, 2015
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4W4X
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![BU of 4w4x by Molmil](/molmil-images/mine/4w4x) | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | Descriptor: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
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6M2H
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![BU of 6m2h by Molmil](/molmil-images/mine/6m2h) | A reaction intermediate of sirohydrochlorin nickelochelatase CfbA in complex with Ni2+ and sirohydrochlorin | Descriptor: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, NICKEL (II) ION, Sirohydrochlorin cobaltochelatase | Authors: | Fujishiro, T. | Deposit date: | 2020-02-27 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis. Chem Sci, 12, 2021
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4W5C
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![BU of 4w5c by Molmil](/molmil-images/mine/4w5c) | Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide). | Descriptor: | 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... | Authors: | Tochowicz, A, McKerrow, J.H, Craik, C.S. | Deposit date: | 2014-08-17 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
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6M08
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![BU of 6m08 by Molmil](/molmil-images/mine/6m08) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | Descriptor: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | Authors: | Hu, H.C, Xu, Y.C. | Deposit date: | 2020-02-20 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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5I2K
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![BU of 5i2k by Molmil](/molmil-images/mine/5i2k) | Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19) | Descriptor: | 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-02-09 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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6M31
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