3NEV
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![BU of 3nev by Molmil](/molmil-images/mine/3nev) | Crystal structure of YagE, a prophage protein from E. coli K12 in complex with KDGal | Descriptor: | 1,2-ETHANEDIOL, 3-DEOXY-D-LYXO-HEXONIC ACID, Uncharacterized protein yagE | Authors: | Bhaskar, V, Kumar, P.M, Manicka, S, Krishnaswamy, S. | Deposit date: | 2010-06-09 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysis. Proteins, 79, 2011
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4BAE
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![BU of 4bae by Molmil](/molmil-images/mine/4bae) | Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | Descriptor: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | Authors: | Read, J.A, Gingell, H.G, Madhavapeddi, P. | Deposit date: | 2012-09-13 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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6OA6
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6O31
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![BU of 6o31 by Molmil](/molmil-images/mine/6o31) | |
2PQM
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4OE7
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![BU of 4oe7 by Molmil](/molmil-images/mine/4oe7) | Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal | Descriptor: | (4R)-4-hydroxy-2,5-dioxopentanoic acid, (4S)-4-hydroxy-2,5-dioxopentanoic acid, 1,2-ETHANEDIOL, ... | Authors: | Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-01-12 | Release date: | 2014-12-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal To be Published
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4ONV
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![BU of 4onv by Molmil](/molmil-images/mine/4onv) | Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate | Descriptor: | 1,2-ETHANEDIOL, 2-KETO-3-DEOXYGLUCONATE, GLYCEROL, ... | Authors: | Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-01-29 | Release date: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate To be Published
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8B9X
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![BU of 8b9x by Molmil](/molmil-images/mine/8b9x) | Chimeric protein of human UFM1 E3 ligase, UFL1, and DDRGK1 | Descriptor: | CHLORIDE ION, DDRGK domain-containing protein 1,E3 UFM1-protein ligase 1 | Authors: | Wiener, R, Isupov, M, banerjee, S. | Deposit date: | 2022-10-10 | Release date: | 2023-10-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.066 Å) | Cite: | Structural study of UFL1-UFC1 interaction uncovers the role of UFL1 N-terminal helix in ufmylation. Embo Rep., 24, 2023
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5XI1
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![BU of 5xi1 by Molmil](/molmil-images/mine/5xi1) | Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs) | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3') | Authors: | Tawani, A, Mishra, S.K, Khan, E, Kumar, A. | Deposit date: | 2017-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs). ACS Chem. Biol., 13, 2018
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8C6C
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![BU of 8c6c by Molmil](/molmil-images/mine/8c6c) | Light SFX structure of D.m(6-4)photolyase at 300ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6H
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![BU of 8c6h by Molmil](/molmil-images/mine/8c6h) | Light SFX structure of D.m(6-4)photolyase at 2ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C1U
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![BU of 8c1u by Molmil](/molmil-images/mine/8c1u) | SFX structure of D.m(6-4)photolyase | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2022-12-21 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C69
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![BU of 8c69 by Molmil](/molmil-images/mine/8c69) | Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6A
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![BU of 8c6a by Molmil](/molmil-images/mine/8c6a) | Light SFX structure of D.m(6-4)photolyase at 1ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6B
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![BU of 8c6b by Molmil](/molmil-images/mine/8c6b) | Light SFX structure of D.m(6-4)photolyase at 20ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6F
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![BU of 8c6f by Molmil](/molmil-images/mine/8c6f) | Light SFX structure of D.m(6-4)photolyase at 400fs time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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6H77
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![BU of 6h77 by Molmil](/molmil-images/mine/6h77) | E1 enzyme for ubiquitin like protein activation in complex with UBL | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Soudah, N, Padala, P, Hassouna, F, Mashahreh, B, Lebedev, A.A, Isupov, M.N, Cohen-Kfir, E, Wiener, R. | Deposit date: | 2018-07-30 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An N-Terminal Extension to UBA5 Adenylation Domain Boosts UFM1 Activation: Isoform-Specific Differences in Ubiquitin-like Protein Activation. J.Mol.Biol., 431, 2019
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6H78
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![BU of 6h78 by Molmil](/molmil-images/mine/6h78) | E1 enzyme for ubiquitin like protein activation. | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Soudah, N, Padala, P, Hassouna, F, Mashahreh, B, Lebedev, A.A, Isupov, M.N, Cohen-Kfir, E, Wiener, R. | Deposit date: | 2018-07-30 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An N-Terminal Extension to UBA5 Adenylation Domain Boosts UFM1 Activation: Isoform-Specific Differences in Ubiquitin-like Protein Activation. J.Mol.Biol., 431, 2019
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5J61
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4EMF
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![BU of 4emf by Molmil](/molmil-images/mine/4emf) | Crystal structure of the complex of type I Ribosome inactivating protein in complex with 7n-methyl-8-hydroguanosine-5-p-diphosphate at 1.77 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Yamini, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-04-12 | Release date: | 2012-05-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina. Proteins, 81, 2013
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4I47
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![BU of 4i47 by Molmil](/molmil-images/mine/4i47) | Crystal structure of the Ribosome inactivating protein complexed with methylated guanine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, rRNA N-glycosidase | Authors: | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-11-27 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina. Proteins, 81, 2013
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2NPH
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![BU of 2nph by Molmil](/molmil-images/mine/2nph) | Crystal structure of HIV1 protease in situ product complex | Descriptor: | PROTEASE RETROPEPSIN, pentapeptide fragment, tetrapeptide fragment | Authors: | Hosur, M.V, Das, A, Prashar, V. | Deposit date: | 2006-10-27 | Release date: | 2006-12-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates Proc.Natl.Acad.Sci.Usa, 103, 2006
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4PTN
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![BU of 4ptn by Molmil](/molmil-images/mine/4ptn) | Crystal Structure of YagE, a KDG aldolase protein in complex with Magnesium cation coordinated L-glyceraldehyde | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, L-glyceraldehyde, ... | Authors: | Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-03-11 | Release date: | 2014-12-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of YagE, a putative DHDPS-like protein from Escherichia coli K12. Proteins, 71, 2008
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8FCB
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![BU of 8fcb by Molmil](/molmil-images/mine/8fcb) | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
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4QBZ
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![BU of 4qbz by Molmil](/molmil-images/mine/4qbz) | Crystal structure of human TLR8 in complex with DS-802 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-05-09 | Release date: | 2014-10-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds J.Med.Chem., 57, 2014
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