5X8F
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![BU of 5x8f by Molmil](/molmil-images/mine/5x8f) | |
2QJT
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![BU of 2qjt by Molmil](/molmil-images/mine/2qjt) | Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase complexed with AMP and MN ion from Francisella tularensis | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Nicotinamide-nucleotide adenylyltransferase | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | Deposit date: | 2007-07-09 | Release date: | 2008-03-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism. Structure, 16, 2008
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7YV8
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![BU of 7yv8 by Molmil](/molmil-images/mine/7yv8) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-08-18 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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7YVU
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![BU of 7yvu by Molmil](/molmil-images/mine/7yvu) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-08-19 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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7OJY
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![BU of 7ojy by Molmil](/molmil-images/mine/7ojy) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6 | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OJQ
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![BU of 7ojq by Molmil](/molmil-images/mine/7ojq) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7 | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OJW
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![BU of 7ojw by Molmil](/molmil-images/mine/7ojw) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93 | Descriptor: | 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OK1
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![BU of 7ok1 by Molmil](/molmil-images/mine/7ok1) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OJ6
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![BU of 7oj6 by Molmil](/molmil-images/mine/7oj6) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ... | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-14 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OK2
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![BU of 7ok2 by Molmil](/molmil-images/mine/7ok2) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, SULFATE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OJP
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![BU of 7ojp by Molmil](/molmil-images/mine/7ojp) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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5XGH
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![BU of 5xgh by Molmil](/molmil-images/mine/5xgh) | Crystal structure of PI3K complex with an inhibitor | Descriptor: | 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Song, K, Yang, X, Zhao, Y, Jian, Z. | Deposit date: | 2017-04-13 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound. Sci Rep, 7, 2017
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4N0N
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![BU of 4n0n by Molmil](/molmil-images/mine/4n0n) | Crystal structure of Arterivirus nonstructural protein 10 (helicase) | Descriptor: | MAGNESIUM ION, Replicase polyprotein 1ab, SULFATE ION, ... | Authors: | Deng, Z, Chen, Z. | Deposit date: | 2013-10-02 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase. Nucleic Acids Res., 42, 2014
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4N0O
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![BU of 4n0o by Molmil](/molmil-images/mine/4n0o) | Complex structure of Arterivirus nonstructural protein 10 (helicase) with DNA | Descriptor: | CALCIUM ION, DNA, Replicase polyprotein 1ab, ... | Authors: | Deng, Z, Chen, Z. | Deposit date: | 2013-10-02 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase. Nucleic Acids Res., 42, 2014
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5J9F
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![BU of 5j9f by Molmil](/molmil-images/mine/5j9f) | Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183) | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong, J, Deis, S.M, Dann III, C.E. | Deposit date: | 2016-04-09 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis. J.Med.Chem., 59, 2016
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8XKN
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![BU of 8xkn by Molmil](/molmil-images/mine/8xkn) | Cryo-EM structure of tail tube protein | Descriptor: | a protein | Authors: | Zhang, H, Li, Z, Li, X.Z. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins. Nat Commun, 15, 2024
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8WKN
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![BU of 8wkn by Molmil](/molmil-images/mine/8wkn) | Cryo-EM structure of DSR2-DSAD1 | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | Authors: | Zhang, H, Li, Z, Li, X.Z. | Deposit date: | 2023-09-28 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins. Nat Commun, 15, 2024
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8W56
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![BU of 8w56 by Molmil](/molmil-images/mine/8w56) | Cryo-EM structure of DSR2-DSAD1 state 1 | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | Authors: | Zhang, H, Li, Z, Li, X.Z. | Deposit date: | 2023-08-25 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins. Nat Commun, 15, 2024
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8I88
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![BU of 8i88 by Molmil](/molmil-images/mine/8i88) | Cryo-EM structure of TIR-APAZ/Ago-gRNA complex | Descriptor: | Piwi domain-containing protein, RNA (5'-R(P*GP*A)-3'), TIR domain-containing protein | Authors: | Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S. | Deposit date: | 2023-02-03 | Release date: | 2023-07-05 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity. Cell Res., 33, 2023
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8IN8
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![BU of 8in8 by Molmil](/molmil-images/mine/8in8) | Cryo-EM structure of the target ssDNA-bound SIR2-APAZ/Ago-gRNA quaternary complex | Descriptor: | DNA (5'-D(P*AP*AP*CP*GP*AP*CP*GP*TP*CP*TP*AP*AP*GP*AP*AP*AP*CP*CP*AP*TP*TP*AP*A)-3'), MAGNESIUM ION, Piwi domain protein, ... | Authors: | Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S. | Deposit date: | 2023-03-08 | Release date: | 2023-07-05 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity. Cell Res., 33, 2023
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7YMS
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![BU of 7yms by Molmil](/molmil-images/mine/7yms) | |
7YRF
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![BU of 7yrf by Molmil](/molmil-images/mine/7yrf) | |
7YRH
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![BU of 7yrh by Molmil](/molmil-images/mine/7yrh) | |
7YV2
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![BU of 7yv2 by Molmil](/molmil-images/mine/7yv2) | |
7YV7
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![BU of 7yv7 by Molmil](/molmil-images/mine/7yv7) | |