8FNM
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![BU of 8fnm by Molmil](/molmil-images/mine/8fnm) | Structure of G140A/Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FVT
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![BU of 8fvt by Molmil](/molmil-images/mine/8fvt) | |
8FNQ
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![BU of 8fnq by Molmil](/molmil-images/mine/8fnq) | Structure of E138K/G140A/Q148K HIV-1 intasome with 4d bound | Descriptor: | 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-28 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FIN
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![BU of 8fin by Molmil](/molmil-images/mine/8fin) | |
8FIH
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![BU of 8fih by Molmil](/molmil-images/mine/8fih) | |
8FIT
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![BU of 8fit by Molmil](/molmil-images/mine/8fit) | |
7P2W
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![BU of 7p2w by Molmil](/molmil-images/mine/7p2w) | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 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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7P2M
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![BU of 7p2m by Molmil](/molmil-images/mine/7p2m) | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 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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5ZB5
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![BU of 5zb5 by Molmil](/molmil-images/mine/5zb5) | The structural basis of histone chaperoneVps75 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NAP family histone chaperone vps75 | Authors: | Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D. | Deposit date: | 2018-02-09 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii. Signal Transduct Target Ther, 4, 2019
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8OVY
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![BU of 8ovy by Molmil](/molmil-images/mine/8ovy) | Structure of analogue of superfolded GFP | Descriptor: | Green fluorescent protein | Authors: | Dunkelmann, D, Fiedler, M, Bellini, D, Alvira, C.P, Chin, J.W. | Deposit date: | 2023-04-26 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.537 Å) | Cite: | Adding alpha , alpha-disubstituted and beta-linked monomers to the genetic code of an organism. Nature, 625, 2024
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5X4X
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![BU of 5x4x by Molmil](/molmil-images/mine/5x4x) | Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X69
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![BU of 5x69 by Molmil](/molmil-images/mine/5x69) | Human thymidylate synthase with a fragment bound in the dimer interface | Descriptor: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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1RLC
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![BU of 1rlc by Molmil](/molmil-images/mine/1rlc) | CRYSTAL STRUCTURE OF THE UNACTIVATED RIBULOSE 1, 5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE COMPLEXED WITH A TRANSITION STATE ANALOG, 2-CARBOXY-D-ARABINITOL 1,5-BISPHOSPHATE | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN) | Authors: | Zhang, K.Y.J, Cascio, D, Eisenberg, D. | Deposit date: | 1993-08-04 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the unactivated ribulose 1,5-bisphosphate carboxylase/oxygenase complexed with a transition state analog, 2-carboxy-D-arabinitol 1,5-bisphosphate. Protein Sci., 3, 1994
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5X4W
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![BU of 5x4w by Molmil](/molmil-images/mine/5x4w) | Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition | Descriptor: | PHOSPHATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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8H93
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![BU of 8h93 by Molmil](/molmil-images/mine/8h93) | Structure of dimeric mouse SCMC core complex | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | Authors: | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | Deposit date: | 2022-10-24 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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8H95
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![BU of 8h95 by Molmil](/molmil-images/mine/8h95) | Structure of mouse SCMC bound with full-length FILIA | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | Authors: | Chi, P, Ou, G, Han, Z, Li, L, Deng, D. | Deposit date: | 2022-10-24 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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8H94
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![BU of 8h94 by Molmil](/molmil-images/mine/8h94) | Structure of mouse SCMC bound with KH domain of FILIA | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | Authors: | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | Deposit date: | 2022-10-24 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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8H96
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![BU of 8h96 by Molmil](/molmil-images/mine/8h96) | Structure of mouse SCMC core complex | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | Authors: | Chi, P, Ou, G, Li, J, Han, Z, Deng, D. | Deposit date: | 2022-10-24 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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5DAA
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![BU of 5daa by Molmil](/molmil-images/mine/5daa) | |
8FRP
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![BU of 8frp by Molmil](/molmil-images/mine/8frp) | Acinetobacter baylyi LptB2FGC | Descriptor: | LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | Deposit date: | 2023-01-07 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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8FRM
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![BU of 8frm by Molmil](/molmil-images/mine/8frm) | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide. | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | Deposit date: | 2023-01-07 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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8FRL
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![BU of 8frl by Molmil](/molmil-images/mine/8frl) | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | Deposit date: | 2023-01-07 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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8FRN
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![BU of 8frn by Molmil](/molmil-images/mine/8frn) | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and Zosurabalpin | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, LPS export ABC transporter permease LptG, ... | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | Deposit date: | 2023-01-07 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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8FRO
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![BU of 8fro by Molmil](/molmil-images/mine/8fro) | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, LPS export ABC transporter permease LptG, ... | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | Deposit date: | 2023-01-07 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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6QMR
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![BU of 6qmr by Molmil](/molmil-images/mine/6qmr) | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | Descriptor: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | Deposit date: | 2019-02-08 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J.Med.Chem., 62, 2019
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