7RU5
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![BU of 7ru5 by Molmil](/molmil-images/mine/7ru5) | CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab heavy chain Fv, ... | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | Deposit date: | 2021-08-16 | Release date: | 2022-08-24 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways. Iscience, 25, 2022
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5AGT
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![BU of 5agt by Molmil](/molmil-images/mine/5agt) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5AGS
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![BU of 5ags by Molmil](/molmil-images/mine/5ags) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5AGR
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![BU of 5agr by Molmil](/molmil-images/mine/5agr) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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8JEU
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![BU of 8jeu by Molmil](/molmil-images/mine/8jeu) | |
8JEC
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![BU of 8jec by Molmil](/molmil-images/mine/8jec) | |
8JET
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![BU of 8jet by Molmil](/molmil-images/mine/8jet) | |
3NK6
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![BU of 3nk6 by Molmil](/molmil-images/mine/3nk6) | Structure of the Nosiheptide-resistance methyltransferase | Descriptor: | 23S rRNA methyltransferase | Authors: | Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y. | Deposit date: | 2010-06-18 | Release date: | 2010-07-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus Biochemistry, 49, 2010
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3NK7
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![BU of 3nk7 by Molmil](/molmil-images/mine/3nk7) | Structure of the Nosiheptide-resistance methyltransferase S-adenosyl-L-methionine Complex | Descriptor: | 23S rRNA methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y. | Deposit date: | 2010-06-18 | Release date: | 2010-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus Biochemistry, 49, 2010
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6IUT
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![BU of 6iut by Molmil](/molmil-images/mine/6iut) | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody AVFluIgG01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AVFluIgG01 Heavy Chain, ... | Authors: | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | Deposit date: | 2018-11-30 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1. J. Biol. Chem., 294, 2019
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5W5D
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![BU of 5w5d by Molmil](/molmil-images/mine/5w5d) | |
5W5C
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![BU of 5w5c by Molmil](/molmil-images/mine/5w5c) | |
3OOZ
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![BU of 3ooz by Molmil](/molmil-images/mine/3ooz) | Bace1 in complex with the aminohydantoin Compound 102 | Descriptor: | (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2010-08-31 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability Bioorg.Med.Chem.Lett., 20, 2010
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8DTI
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![BU of 8dti by Molmil](/molmil-images/mine/8dti) | Cryo-EM structure of Arabidopsis SPY in complex with GDP-fucose | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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8DTG
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![BU of 8dtg by Molmil](/molmil-images/mine/8dtg) | Cryo-EM structure of Arabidopsis SPY alternative conformation 1 | Descriptor: | Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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8DTH
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![BU of 8dth by Molmil](/molmil-images/mine/8dth) | Cryo-EM structure of Arabidopsis SPY alternative conformation 2 | Descriptor: | Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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8DTF
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![BU of 8dtf by Molmil](/molmil-images/mine/8dtf) | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs | Descriptor: | Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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3IN4
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![BU of 3in4 by Molmil](/molmil-images/mine/3in4) | Bace1 with Compound 38 | Descriptor: | (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2009-08-11 | Release date: | 2010-01-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18, 2010
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3IN3
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![BU of 3in3 by Molmil](/molmil-images/mine/3in3) | Bace1 with Compound 30 | Descriptor: | (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2009-08-11 | Release date: | 2010-01-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18, 2010
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5XC2
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![BU of 5xc2 by Molmil](/molmil-images/mine/5xc2) | Crystal structure of GH family 81 beta-1,3-glucanase from Rhizomucr miehei complexed with laminarihexaose | Descriptor: | Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | Authors: | Qin, Z, Yang, S, Peng, Z, Yan, Q, Jiang, Z. | Deposit date: | 2017-03-22 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase To Be Published
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6A67
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![BU of 6a67 by Molmil](/molmil-images/mine/6a67) | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody FLD21.140 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLD21.140 Heavy Chain, FLD21.140 Light Chain, ... | Authors: | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | Deposit date: | 2018-06-26 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Complementary recognition of the receptor-binding site of highly pathogenic H5N1 influenza viruses by two human neutralizing antibodies. J. Biol. Chem., 293, 2018
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7PTF
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![BU of 7ptf by Molmil](/molmil-images/mine/7ptf) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PTG
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![BU of 7ptg by Molmil](/molmil-images/mine/7ptg) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQI
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![BU of 7pqi by Molmil](/molmil-images/mine/7pqi) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQM
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![BU of 7pqm by Molmil](/molmil-images/mine/7pqm) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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