8PL8
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![BU of 8pl8 by Molmil](/molmil-images/mine/8pl8) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 9. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLU
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![BU of 8plu by Molmil](/molmil-images/mine/8plu) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 31. | Descriptor: | 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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5XNM
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![BU of 5xnm by Molmil](/molmil-images/mine/5xnm) | Structure of unstacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | Deposit date: | 2017-05-23 | Release date: | 2017-09-20 | Last modified: | 2019-05-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex Science, 357, 2017
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3T28
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![BU of 3t28 by Molmil](/molmil-images/mine/3t28) | TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Saxby, S, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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8PLE
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![BU of 8ple by Molmil](/molmil-images/mine/8ple) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 15. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PPW
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![BU of 8ppw by Molmil](/molmil-images/mine/8ppw) | Structure of human PARK7 in complex with GK16S | Descriptor: | (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide, Parkinson disease protein 7 | Authors: | Grethe, C, Gersch, M. | Deposit date: | 2023-07-10 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1. Angew.Chem.Int.Ed.Engl., 63, 2024
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8I0J
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![BU of 8i0j by Molmil](/molmil-images/mine/8i0j) | JB13GH39P28 mutant-D41G | Descriptor: | CHLORIDE ION, Glycoside hydrolase family 39 beta-xylosidase | Authors: | Zhou, J.P, Cao, L.J, Lin, M.Y, Zhang, R, Huang, Z.X. | Deposit date: | 2023-01-11 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | beta-Xylosidase JB13GH39P28 (D41G) showing salt/ethanol/trypsin tolerance and transformation of notoginsenosides To Be Published
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8PLY
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![BU of 8ply by Molmil](/molmil-images/mine/8ply) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 35. | Descriptor: | 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8IN2
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![BU of 8in2 by Molmil](/molmil-images/mine/8in2) | |
8I0X
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![BU of 8i0x by Molmil](/molmil-images/mine/8i0x) | Beta-Xylosidase JB13GH39P28 showing salt/ethanol/trypsin tolerance, low-pH/low-Temperature activity, and transformation of notoginsenosides | Descriptor: | Glycoside hydrolase family 39 beta-xylosidase | Authors: | Zhou, J.P, Cao, L.J, Lin, M.Y, Zhang, R, Huang, Z.X. | Deposit date: | 2023-01-11 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | beta-Xylosidase JB13GH39P28(D41G)showing salt/ethanol/trypsin tolerance and transformation of notoginsenosides To Be Published
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3T2I
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![BU of 3t2i by Molmil](/molmil-images/mine/3t2i) | Tetragonal thermolysin in the presence of sarcosine | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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6UTN
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![BU of 6utn by Molmil](/molmil-images/mine/6utn) | Native E. coli Glyceraldehyde 3-phosphate dehydrogenase | Descriptor: | ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ... | Authors: | Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A. | Deposit date: | 2019-10-29 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion Crystals, 9, 2019
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8I12
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![BU of 8i12 by Molmil](/molmil-images/mine/8i12) | InuAMN8 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glycosyl hydrolase family 32 exo-inulinase | Authors: | Zhou, J.P, Cen, X.L, He, L.M, Zhang, R, Huang, Z.X. | Deposit date: | 2023-01-12 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Cold-active and NaCl-tolerant exo-inulinase InuAMN8. To Be Published
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8C39
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![BU of 8c39 by Molmil](/molmil-images/mine/8c39) | X-ray structure of HEWL upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5) | Descriptor: | CHLORIDE ION, Lysozyme, NITRATE ION, ... | Authors: | Ferraro, G, Merlino, A. | Deposit date: | 2022-12-23 | Release date: | 2024-01-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ruthenium(II)–Arene Complexes with Glycosylated NHC-Carbene Co-Ligands: Synthesis, Hydrolytic Behavior, and Binding to Biological Molecules Organometallics, 42, 2023
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8I0K
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![BU of 8i0k by Molmil](/molmil-images/mine/8i0k) | Cryo-electron microscopic structure of the 2-oxoglutarate dehydrogenase(E1) with TCAIM complex | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-oxoglutarate dehydrogenase complex component E1, CALCIUM ION, ... | Authors: | Yu, X, Yang, W, Zhong, Y.H, Ma, X.M, Gao, Y.Z. | Deposit date: | 2023-01-11 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Cryo-electron microscopic structure of the 2-oxoglutarate dehydrogenase (E1) with TCAIM complex To Be Published
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5XTG
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![BU of 5xtg by Molmil](/molmil-images/mine/5xtg) | Crystal structure of the cis-dihydrodiol naphthalene dehydrogenase NahB from Pseudomonas sp. MC1 in the presence of NAD+ and 2,3-dihydroxybiphenyl | Descriptor: | 2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenase, BIPHENYL-2,3-DIOL, CITRIC ACID, ... | Authors: | Park, A.K, Kim, H.-W. | Deposit date: | 2017-06-19 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.318 Å) | Cite: | Crystal structure of cis-dihydrodiol naphthalene dehydrogenase (NahB) from Pseudomonas sp. MC1: Insights into the early binding process of the substrate Biochem. Biophys. Res. Commun., 491, 2017
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8CJK
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![BU of 8cjk by Molmil](/molmil-images/mine/8cjk) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | Descriptor: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45914972 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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3T72
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![BU of 3t72 by Molmil](/molmil-images/mine/3t72) | PhoB(E)-Sigma70(4)-(RNAP-Betha-flap-tip-helix)-DNA Transcription Activation Sub-Complex | Descriptor: | PHO BOX DNA (STRAND 1), PHO BOX DNA (STRAND 2), Phosphate regulon transcriptional regulatory protein phoB, ... | Authors: | Blanco, A.G, Canals, A, Bernues, J, Sola, M, Coll, M. | Deposit date: | 2011-07-29 | Release date: | 2011-09-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (4.33 Å) | Cite: | The structure of a transcription activation subcomplex reveals how sigma (70) is recruited to PhoB promoters. Embo J., 30, 2011
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5XTI
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![BU of 5xti by Molmil](/molmil-images/mine/5xti) | Cryo-EM architecture of human respiratory chain megacomplex-I2III2IV2 | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ... | Authors: | Gu, J, Wu, M, Yang, M. | Deposit date: | 2017-06-19 | Release date: | 2017-09-13 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (17.4 Å) | Cite: | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2. Cell, 170, 2017
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5MBB
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![BU of 5mbb by Molmil](/molmil-images/mine/5mbb) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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8CJI
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![BU of 8cji by Molmil](/molmil-images/mine/8cji) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | Descriptor: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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5MXO
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![BU of 5mxo by Molmil](/molmil-images/mine/5mxo) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | Authors: | Andrei, S, Ottmann, C, Leysen, S. | Deposit date: | 2017-01-24 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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5XVS
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![BU of 5xvs by Molmil](/molmil-images/mine/5xvs) | Crystal structure of UDP-GlcNAc 2-epimerase NeuC complexed with UDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP/UDP-N,N'-diacetylbacillosamine 2-epimerase (Hydrolyzing), LITHIUM ION, ... | Authors: | Ko, T.P, Hsieh, T.J, Chen, S.C, Wu, S.C, Guan, H.H, Yang, C.H, Chen, C.J, Chen, Y. | Deposit date: | 2017-06-28 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.383 Å) | Cite: | The tetrameric structure of sialic acid-synthesizing UDP-GlcNAc 2-epimerase fromAcinetobacter baumannii: A comparative study with human GNE. J. Biol. Chem., 293, 2018
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8CJJ
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![BU of 8cjj by Molmil](/molmil-images/mine/8cjj) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057 | Descriptor: | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66415656 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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8C7F
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![BU of 8c7f by Molmil](/molmil-images/mine/8c7f) | |