3C3M
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![BU of 3c3m by Molmil](/molmil-images/mine/3c3m) | Crystal structure of the N-terminal domain of response regulator receiver protein from Methanoculleus marisnigri JR1 | Descriptor: | GLYCEROL, Response regulator receiver protein | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Dickey, M, Chang, S, Groshong, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-28 | Release date: | 2008-02-05 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the N-terminal domain of response regulator receiver protein from Methanoculleus marisnigri JR1. To be Published
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6D7R
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![BU of 6d7r by Molmil](/molmil-images/mine/6d7r) | Crystal structure of an inactivate variant of the quorum-sensing master regulator HapR from protease-deficient non-O1, non-O139 Vibrio cholerae strain V2 | Descriptor: | Hemagglutinin/protease regulatory protein | Authors: | Cruite, J.T, Succo, P, Raychaudhuri, S, Kull, F.J. | Deposit date: | 2018-04-25 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an inactive variant of the quorum-sensing master regulator HapR from the protease-deficient non-O1, non-O139 Vibrio cholerae strain V2. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6DXP
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![BU of 6dxp by Molmil](/molmil-images/mine/6dxp) | The crystal structure of an FMN-dependent NADH-azoreductase from Klebsiella pneumoniae | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | Authors: | Arcinas, A.J, Ghosh, A, Chamala, S, Bonanno, J.B, Kelly, L, Almo, S.C. | Deposit date: | 2018-06-29 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.478 Å) | Cite: | The crystal structure of an FMN-dependent NADH-azoreductase from Klebsiella pneumoniae To Be Published
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7DP4
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![BU of 7dp4 by Molmil](/molmil-images/mine/7dp4) | Crystal structure of wild type Brugia malayi thymidylate synthase complexed with 2'-deoxyuridine monophosphate and methotrexate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, METHOTREXATE, ... | Authors: | Keyunratsami, K, Nualnoi, T, Wongkamchai, S, Songsiriritthigul, C, Chen, C.-J, Canyuk, B. | Deposit date: | 2020-12-18 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic investigation and inhibition of Brugia malayi thymidylate synthase by a folate analog To Be Published
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7DP5
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![BU of 7dp5 by Molmil](/molmil-images/mine/7dp5) | Crystal structure of mutant V45A Brugia malayi thymidylate synthase complexed with 2'-deoxyuridine monophosphate and methotrexate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, GLYCEROL, ... | Authors: | Keyunratsami, K, Nualnoi, T, Wongkamchai, S, Songsiriritthigul, C, Chen, C.-J, Canyuk, B. | Deposit date: | 2020-12-18 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic investigation and inhibition of Brugia malayi thymidylate synthase by a folate analog To Be Published
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7DP6
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![BU of 7dp6 by Molmil](/molmil-images/mine/7dp6) | Crystal structure of mutant V45T Brugia malayi thymidylate synthase complexed with 2'-deoxyuridine monophosphate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, GLYCEROL, ... | Authors: | Keyunratsami, K, Nualnoi, T, Wongkamchai, S, Songsiriritthigul, C, Chen, C.-J, Canyuk, B. | Deposit date: | 2020-12-18 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic investigation and inhibition of Brugia malayi thymidylate synthase by a folate analog To Be Published
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5KN9
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![BU of 5kn9 by Molmil](/molmil-images/mine/5kn9) | MutY N-terminal domain in complex with DNA containing an intrahelical oxoG:A base-pair | Descriptor: | Adenine DNA glycosylase, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*CP*AP*GP*GP*AP*T)-3'), ... | Authors: | Wang, L, Chakravarthy, S, Verdine, G.L. | Deposit date: | 2016-06-27 | Release date: | 2017-02-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Basis for the Lesion-scanning Mechanism of the MutY DNA Glycosylase. J. Biol. Chem., 292, 2017
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5E38
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![BU of 5e38 by Molmil](/molmil-images/mine/5e38) | Structural basis of mapping the spontaneous mutations with 5-flourouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis | Descriptor: | Uracil phosphoribosyltransferase | Authors: | Ghode, P, Jobichen, C, Ramachandran, S, Bifani, P, Sivaraman, J. | Deposit date: | 2015-10-02 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of mapping the spontaneous mutations with 5-flurouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis Biochem.Biophys.Res.Commun., 467, 2015
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5DW8
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![BU of 5dw8 by Molmil](/molmil-images/mine/5dw8) | |
5KN8
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![BU of 5kn8 by Molmil](/molmil-images/mine/5kn8) | MutY N-terminal domain in complex with undamaged DNA | Descriptor: | Adenine DNA glycosylase, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*CP*AP*GP*GP*AP*T)-3'), ... | Authors: | Wang, L, Chakravarthy, S, Verdine, G.L. | Deposit date: | 2016-06-27 | Release date: | 2017-02-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Basis for the Lesion-scanning Mechanism of the MutY DNA Glycosylase. J. Biol. Chem., 292, 2017
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4DDR
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![BU of 4ddr by Molmil](/molmil-images/mine/4ddr) | Human dihydrofolate reductase complexed with NADPH and P218 | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-01-19 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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4DPH
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![BU of 4dph by Molmil](/molmil-images/mine/4dph) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | Descriptor: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-02-13 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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6A8Y
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![BU of 6a8y by Molmil](/molmil-images/mine/6a8y) | YR26_SDS | Descriptor: | YR26_SDS | Authors: | Sinha, S, Bhattacharjya, S. | Deposit date: | 2018-07-11 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | YR26_SDS To Be Published
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6AAB
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![BU of 6aab by Molmil](/molmil-images/mine/6aab) | |
6H01
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![BU of 6h01 by Molmil](/molmil-images/mine/6h01) | |
6EZ8
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![BU of 6ez8 by Molmil](/molmil-images/mine/6ez8) | Human Huntingtin-HAP40 complex structure | Descriptor: | Factor VIII intron 22 protein, Huntingtin | Authors: | Guo, Q, Bin, H, Cheng, J, Pfeifer, G, Baumeister, W, Fernandez-Busnadiego, R, Kochanek, S. | Deposit date: | 2017-11-14 | Release date: | 2018-02-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | The cryo-electron microscopy structure of huntingtin. Nature, 555, 2018
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6B5V
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![BU of 6b5v by Molmil](/molmil-images/mine/6b5v) | Structure of TRPV5 in complex with econazole | Descriptor: | 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, CALCIUM ION, Transient receptor potential cation channel subfamily V member 5 | Authors: | Hughes, T.E.T, Lodowski, D.T, Huynh, K.W, Yazici, A, del Rosario, J, Kapoor, A, Basak, S, Samanta, A, Chakrapani, S, Zhou, Z.H, Filizola, M, Rohacs, T, Han, S, Moiseenkova-Bell, V.Y. | Deposit date: | 2017-09-29 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural basis of TRPV5 channel inhibition by econazole revealed by cryo-EM. Nat. Struct. Mol. Biol., 25, 2018
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5M7T
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![BU of 5m7t by Molmil](/molmil-images/mine/5m7t) | Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor | Descriptor: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, Protein O-GlcNAcase | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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6TEP
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![BU of 6tep by Molmil](/molmil-images/mine/6tep) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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4DP3
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![BU of 4dp3 by Molmil](/molmil-images/mine/4dp3) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-02-13 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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4IYM
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![BU of 4iym by Molmil](/molmil-images/mine/4iym) | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934 | Descriptor: | MAGNESIUM ION, Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-01-28 | Release date: | 2013-04-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934 To be Published
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5LP5
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![BU of 5lp5 by Molmil](/molmil-images/mine/5lp5) | Complex between Penicillin-Binding Protein (PBP2) and MreC from Helicobacter pylori | Descriptor: | Penicillin-binding protein 2 (Pbp2), Rod shape-determining protein (MreC) | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Hicham, S, Hardouin, P, Boneca, I.G, Dessen, A. | Deposit date: | 2016-08-11 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex. Nat Commun, 8, 2017
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6TEQ
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![BU of 6teq by Molmil](/molmil-images/mine/6teq) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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5M7U
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![BU of 5m7u by Molmil](/molmil-images/mine/5m7u) | Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor | Descriptor: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide, Protein O-GlcNAcase | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5M7S
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![BU of 5m7s by Molmil](/molmil-images/mine/5m7s) | Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, Protein O-GlcNAcase | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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