8HBM
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7T5S
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![BU of 7t5s by Molmil](/molmil-images/mine/7t5s) | P. aeruginosa LpxA in complex with ligand H16 | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7T5R
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![BU of 7t5r by Molmil](/molmil-images/mine/7t5r) | P. aeruginosa LpxA in complex with ligand H7 | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7T5X
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![BU of 7t5x by Molmil](/molmil-images/mine/7t5x) | P. aeruginosa LpxA in complex with ligand L6 | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7T5Z
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![BU of 7t5z by Molmil](/molmil-images/mine/7t5z) | P. aeruginosa LpxA in complex with ligand L8 | Descriptor: | (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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8HYK
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![BU of 8hyk by Molmil](/molmil-images/mine/8hyk) | CD-NTase EfCdnE in complex with intermediate pppU[2'-5']p | Descriptor: | EfCdnE, MAGNESIUM ION, [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7T60
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![BU of 7t60 by Molmil](/molmil-images/mine/7t60) | P. aeruginosa LpxA in complex with ligand L13 | Descriptor: | (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7T61
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![BU of 7t61 by Molmil](/molmil-images/mine/7t61) | P. aeruginosa LpxA in complex with ligand L15 | Descriptor: | (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7STA
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3V3E
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![BU of 3v3e by Molmil](/molmil-images/mine/3v3e) | Crystal Structure of the Human Nur77 Ligand-binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-13 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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6UN3
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![BU of 6un3 by Molmil](/molmil-images/mine/6un3) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-10 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
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7S0V
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6UN1
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![BU of 6un1 by Molmil](/molmil-images/mine/6un1) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-10 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
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6V1M
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![BU of 6v1m by Molmil](/molmil-images/mine/6v1m) | Structure of NDM-1 bound to QPX7728 at 1.05 A | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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1XKL
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![BU of 1xkl by Molmil](/molmil-images/mine/1xkl) | Crystal Structure of Salicylic Acid-binding Protein 2 (SABP2) from Nicotiana tabacum, NESG Target AR2241 | Descriptor: | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Chen, Y, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-09-29 | Release date: | 2004-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.USA, 102, 2005
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6V7H
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![BU of 6v7h by Molmil](/molmil-images/mine/6v7h) | Structure of CTX-M-14 bound to Vaborbactam at 1.0 A | Descriptor: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-12-08 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition. Antimicrob.Agents Chemother., 64, 2020
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6P49
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![BU of 6p49 by Molmil](/molmil-images/mine/6p49) | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl2 | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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6P46
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![BU of 6p46 by Molmil](/molmil-images/mine/6p46) | Cryo-EM structure of TMEM16F in digitonin with calcium bound | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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6V1J
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![BU of 6v1j by Molmil](/molmil-images/mine/6v1j) | Structure of KPC-2 bound to QPX7728 at 1.30 A | Descriptor: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V1P
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![BU of 6v1p by Molmil](/molmil-images/mine/6v1p) | Structure of VIM-2 bound to QPX7728 at 1.20 A | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6P47
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![BU of 6p47 by Molmil](/molmil-images/mine/6p47) | Cryo-EM structure of TMEM16F in digitonin without calcium | Descriptor: | Anoctamin-6 | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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6P48
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![BU of 6p48 by Molmil](/molmil-images/mine/6p48) | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl1 | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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1FGL
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![BU of 1fgl by Molmil](/molmil-images/mine/1fgl) | Cyclophilin A complexed with a fragment of HIV-1 GAG protein | Descriptor: | CYCLOPHILIN A, HIV-1 GAG PROTEIN | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1996-11-18 | Release date: | 1997-04-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity. Structure, 5, 1997
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8IQM
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![BU of 8iqm by Molmil](/molmil-images/mine/8iqm) | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Bcl2 modifying factor, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.967 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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8IQK
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![BU of 8iqk by Molmil](/molmil-images/mine/8iqk) | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Bcl-2-like protein 1, Bcl-2-modifying factor | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.879 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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