6DQF
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1RJL
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![BU of 1rjl by Molmil](/molmil-images/mine/1rjl) | Structure of the complex between OspB-CT and bactericidal Fab-H6831 | Descriptor: | Fab H6831 H-chain, Fab H6831 L-chain, Outer surface protein B | Authors: | Becker, M, Bunikis, J, Lade, B.D, Dunn, J.J, Barbour, A.G, Lawson, C.L. | Deposit date: | 2003-11-19 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Investigation of Borrelia burgdorferi OspB, a BactericidalFab Target. J.Biol.Chem., 280, 2005
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5L3J
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![BU of 5l3j by Molmil](/molmil-images/mine/5l3j) | ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR | Descriptor: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid, DNA gyrase subunit B, IODIDE ION | Authors: | Gjorgjieva, M, Tomasic, T, Barancokova, M, Katsamakas, S, Ilas, J, Montalvao, S, Tammella, P, Peterlin Masic, L, Kikelj, D. | Deposit date: | 2016-05-23 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors. J.Med.Chem., 59, 2016
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5A3Q
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![BU of 5a3q by Molmil](/molmil-images/mine/5a3q) | Crystal structure of the (SR) Calcium ATPase E2-vanadate complex bound to thapsigargin and TNP-AMPPCP | Descriptor: | CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Clausen, J.D, Bublitz, M, Arnou, B, Olesen, C, Andersen, J.P, Moller, J.V, Nissen, P. | Deposit date: | 2015-06-02 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal Structure of the Vanadate-Inhibited Ca(2+)-ATPase. Structure, 24, 2016
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8TCO
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![BU of 8tco by Molmil](/molmil-images/mine/8tco) | HCMV Trimer in complex with CS2it1p2_F7K Fab and CS4tt1p1_E3K Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CS2it1p2_F7K Fab heavy chain, ... | Authors: | Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2023-07-02 | Release date: | 2023-08-09 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Single-cell analysis of memory B cells from top neutralizers reveals multiple sites of vulnerability within HCMV Trimer and Pentamer. Immunity, 56, 2023
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1RF3
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![BU of 1rf3 by Molmil](/molmil-images/mine/1rf3) | Structurally Distinct Recognition Motifs in Lymphotoxin-B Receptor and CD40 for TRAF-mediated Signaling | Descriptor: | 24-residue peptide from Lymphotoxin-B Receptor, TNF receptor associated factor 3 | Authors: | Li, C, Norris, P.S, Ni, C.Z, Havert, M.L, Chiong, E.M, Tran, B.R, Cabezas, E, Cheng, G, Reed, J.C, Satterthwait, A.C, Ware, C.F, Ely, K.R. | Deposit date: | 2003-11-07 | Release date: | 2004-07-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structurally distinct recognition motifs in lymphotoxin-beta receptor and CD40 for tumor necrosis factor receptor-associated factor (TRAF)-mediated signaling. J.Biol.Chem., 278, 2003
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2AZR
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![BU of 2azr by Molmil](/molmil-images/mine/2azr) | Crystal structure of PTP1B with Bicyclic Thiophene inhibitor | Descriptor: | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase, non-receptor type 1 | Authors: | Moretto, A.F, Kirincich, S.J, Xu, W.X, Smith, M.J, Wan, Z.K, Wilson, D.P, Follows, B.C, Binnun, E, Joseph-McCarthy, D, Foreman, K, Erbe, D.V, Zhang, Y.L, Tam, S.K, Tam, S.Y, Lee, J. | Deposit date: | 2005-09-12 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Bioorg.Med.Chem., 14, 2006
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2B07
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![BU of 2b07 by Molmil](/molmil-images/mine/2b07) | Crystal structure of PTP1B with Tricyclic Thiophene inhibitor. | Descriptor: | 6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase, non-receptor type 1 | Authors: | Moretto, A.F, Kirincich, S.J, Xu, W.X, Smith, M.J, Wan, Z.K, Wilson, D.P, Follows, B.C, Binnun, E, Joseph-McCarthy, D, Foreman, K, Erbe, D.V, Zhang, Y.L, Tam, S.K, Tam, S.Y, Lee, J. | Deposit date: | 2005-09-13 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Bioorg.Med.Chem., 14, 2006
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8Y39
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![BU of 8y39 by Molmil](/molmil-images/mine/8y39) | cryo-EM structure of Staphylococcus aureus(ATCC 29213) 70S ribosome in complex with MCX-190. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Li, Y, Lu, G, Li, J, Pei, X, Lin, J. | Deposit date: | 2024-01-28 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Synthetic macrolides overcoming MLS B K-resistant pathogens. Cell Discov, 10, 2024
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8Y38
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![BU of 8y38 by Molmil](/molmil-images/mine/8y38) | Cryo-EM structure of Staphylococcus aureus 70S ribosome (strain 15B196) in complex with MCX-190. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Li, Y, Lu, G, Li, J, Pei, X, Lin, J. | Deposit date: | 2024-01-28 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Synthetic macrolides overcoming MLS B K-resistant pathogens. Cell Discov, 10, 2024
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8Y37
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![BU of 8y37 by Molmil](/molmil-images/mine/8y37) | Cryo-EM structure of Staphylococcus aureus (15B196) 50S ribosome in complex with MCX-190. | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, 7-[4-[3-[[(1~{S},2~{R},5~{R},6~{S},7~{S},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-tris(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl]oxycarbonylamino]propoxy]but-1-ynyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid, ... | Authors: | Li, Y, Lu, G, Li, J, Pei, X, Lin, J. | Deposit date: | 2024-01-28 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Synthetic macrolides overcoming MLS B K-resistant pathogens. Cell Discov, 10, 2024
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8Y36
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![BU of 8y36 by Molmil](/molmil-images/mine/8y36) | cryo-EM structure of Staphylococcus aureus(ATCC 29213) 50S ribosome in complex with MCX-190. | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, 7-[4-[3-[[(1~{S},2~{R},5~{R},6~{S},7~{S},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-tris(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl]oxycarbonylamino]propoxy]but-1-ynyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid, ... | Authors: | Li, Y, Lu, G, Li, J, Pei, X, Lin, J. | Deposit date: | 2024-01-28 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Synthetic macrolides overcoming MLS B K-resistant pathogens. Cell Discov, 10, 2024
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4URN
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![BU of 4urn by Molmil](/molmil-images/mine/4urn) | Crystal Structure of Staph ParE 24kDa in complex with Novobiocin | Descriptor: | DNA TOPOISOMERASE IV, B SUBUNIT, NOVOBIOCIN | Authors: | Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B. | Deposit date: | 2014-07-01 | Release date: | 2014-07-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode. Acs Chem.Biol., 9, 2014
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4W2O
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4URO
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![BU of 4uro by Molmil](/molmil-images/mine/4uro) | Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin | Descriptor: | DNA GYRASE SUBUNIT B, NOVOBIOCIN | Authors: | Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B. | Deposit date: | 2014-07-01 | Release date: | 2014-07-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode. Acs Chem.Biol., 9, 2014
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4UZD
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![BU of 4uzd by Molmil](/molmil-images/mine/4uzd) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Authors: | Pouzieux, S, Delarbre, L, Crenne, J.Y. | Deposit date: | 2014-09-05 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4URM
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![BU of 4urm by Molmil](/molmil-images/mine/4urm) | Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin | Descriptor: | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside, DNA GYRASE SUBUNIT B | Authors: | Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B. | Deposit date: | 2014-06-30 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode. Acs Chem.Biol., 9, 2014
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6DUJ
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![BU of 6duj by Molmil](/molmil-images/mine/6duj) | Crystal structure of A51V variant of Human Cytochrome c | Descriptor: | Cytochrome c, HEME C | Authors: | Lei, H, Bowler, B.E. | Deposit date: | 2018-06-20 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.82202721 Å) | Cite: | Naturally Occurring A51V Variant of Human CytochromecDestabilizes the Native State and Enhances Peroxidase Activity. J.Phys.Chem.B, 123, 2019
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5KIZ
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![BU of 5kiz by Molmil](/molmil-images/mine/5kiz) | |
8TEA
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9BE1
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![BU of 9be1 by Molmil](/molmil-images/mine/9be1) | CG-centric NF-kappaB RelA binding DNA | Descriptor: | ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3'), ZINC ION | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G. | Deposit date: | 2024-04-13 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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9BDY
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![BU of 9bdy by Molmil](/molmil-images/mine/9bdy) | AT-centric NF-kappaB RelA binding DNA | Descriptor: | ACETATE ION, DNA (5'-D(*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*G)-3'), ... | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | Deposit date: | 2024-04-13 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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4UZH
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![BU of 4uzh by Molmil](/molmil-images/mine/4uzh) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN | Authors: | Pouzieux, S, Maignan, S, Crenne, J.Y. | Deposit date: | 2014-09-05 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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9AVS
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![BU of 9avs by Molmil](/molmil-images/mine/9avs) | Human alpha-galactosidase A in complex with saposin B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ... | Authors: | Sawyer, T.K, Garman, S.C. | Deposit date: | 2024-03-04 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | Human Saposin B Ligand Binding and Presentation to alpha-Galactosidase A. Biorxiv, 2024
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9BDU
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![BU of 9bdu by Molmil](/molmil-images/mine/9bdu) | NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | Authors: | Biswas, T, Huang, D, Ghosh, G. | Deposit date: | 2024-04-12 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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