7N6W
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![BU of 7n6w by Molmil](/molmil-images/mine/7n6w) | Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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7N6U
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![BU of 7n6u by Molmil](/molmil-images/mine/7n6u) | Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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3NCX
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![BU of 3ncx by Molmil](/molmil-images/mine/3ncx) | |
3NFG
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![BU of 3nfg by Molmil](/molmil-images/mine/3nfg) | |
7NP9
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6VG5
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![BU of 6vg5 by Molmil](/molmil-images/mine/6vg5) | DengueV-2 Capsid ST148 inhibitor Complex | Descriptor: | 3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, Capsid premembrane protein, GLYCEROL, ... | Authors: | White, M, Xia, H, Shi, P. | Deposit date: | 2020-01-07 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A cocrystal structure of dengue capsid protein in complex of inhibitor. Proc.Natl.Acad.Sci.USA, 117, 2020
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3MNN
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![BU of 3mnn by Molmil](/molmil-images/mine/3mnn) | A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core | Descriptor: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ... | Authors: | Ong, M.S, Davey, C.A. | Deposit date: | 2010-04-22 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core Chemistry, 17, 2011
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6M7H
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![BU of 6m7h by Molmil](/molmil-images/mine/6m7h) | Structure of calmodulin with KN93 | Descriptor: | CALCIUM ION, Calmodulin-1, N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide | Authors: | Damo, S.M, Pattanayek, R, Johnson, C.N. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The CaMKII inhibitor KN93-calmodulin interaction and implications for calmodulin tuning of NaV1.5 and RyR2 function. Cell Calcium, 82, 2019
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7N2W
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![BU of 7n2w by Molmil](/molmil-images/mine/7n2w) | The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40 | Descriptor: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid, FLAVIN MONONUCLEOTIDE, FMN dependent NADH:quinone oxidoreductase | Authors: | Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
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3N2E
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![BU of 3n2e by Molmil](/molmil-images/mine/3n2e) | Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535 | Descriptor: | 7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid, L(+)-TARTARIC ACID, Shikimate kinase | Authors: | Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C. | Deposit date: | 2010-05-18 | Release date: | 2011-05-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism Plos One, 7, 2012
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5IJ3
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![BU of 5ij3 by Molmil](/molmil-images/mine/5ij3) | SrpA adhesin in complex with sialyl T antigen | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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3N33
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![BU of 3n33 by Molmil](/molmil-images/mine/3n33) | Crystal structure of the N-terminal beta-aminopeptidase BapA in complex with pefabloc SC (AEBSF) | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-peptidyl aminopeptidase, ... | Authors: | Merz, T, Heck, T, Geueke, B, Kohler, H.-P, Gruetter, M.G. | Deposit date: | 2010-05-19 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Autoproteolytic and catalytic mechanisms for the beta-aminopeptidase BapA--a member of the Ntn hydrolase family. Structure, 20, 2012
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3N8Y
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![BU of 3n8y by Molmil](/molmil-images/mine/3n8y) | Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac | Descriptor: | 2-HYDROXYBENZOIC ACID, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sidhu, R.S. | Deposit date: | 2010-05-28 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers Biochemistry, 49, 2010
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3NCW
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3NBP
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![BU of 3nbp by Molmil](/molmil-images/mine/3nbp) | HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 | Descriptor: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Harris, S.F, Villasenor, A.G. | Deposit date: | 2010-06-03 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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6FZ5
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![BU of 6fz5 by Molmil](/molmil-images/mine/6fz5) | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound | Descriptor: | 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | Authors: | Kersten, F.C, Brenk, R. | Deposit date: | 2018-03-14 | Release date: | 2019-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System. J.Med.Chem., 63, 2020
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6ML2
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![BU of 6ml2 by Molmil](/molmil-images/mine/6ml2) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 1) | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ZINC ION, ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.874 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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7PGB
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![BU of 7pgb by Molmil](/molmil-images/mine/7pgb) | NaV_Ae1/Sp1CTD_pore-SAT09 complex | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-NITROBENZOIC ACID, ... | Authors: | Lolicato, M, Arrigoni, C. | Deposit date: | 2021-08-13 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Quaternary structure independent folding of voltage-gated ion channel pore domain subunits. Nat.Struct.Mol.Biol., 29, 2022
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7Q6C
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![BU of 7q6c by Molmil](/molmil-images/mine/7q6c) | complement C6 FIM1-2 bound to CP010 antibody | Descriptor: | ACETATE ION, CP010 heavy chain, CP010 light chain, ... | Authors: | Olesen, H.G, Andersen, G.R. | Deposit date: | 2021-11-06 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29274 Å) | Cite: | Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex. J Innate Immun, 2022
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5JMZ
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![BU of 5jmz by Molmil](/molmil-images/mine/5jmz) | |
6G4C
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6ML7
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![BU of 6ml7 by Molmil](/molmil-images/mine/6ml7) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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6N4D
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![BU of 6n4d by Molmil](/molmil-images/mine/6n4d) | The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yang, H, Stevens, J. | Deposit date: | 2018-11-19 | Release date: | 2019-01-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States. J. Infect. Dis., 216, 2017
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1HZM
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6G9E
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![BU of 6g9e by Molmil](/molmil-images/mine/6g9e) | Crystal structure of immunomodulatory active chitinase from Trichuris suis - TsES1 - 6 molecules in ASU | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. J Immunol Res, 2021, 2021
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