8K47
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![BU of 8k47 by Molmil](/molmil-images/mine/8k47) | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | Deposit date: | 2023-07-17 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains. MedComm (2020), 4, 2023
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7MLZ
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![BU of 7mlz by Molmil](/molmil-images/mine/7mlz) | Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain | Descriptor: | B1-182.1 Fab heavy chain, B1-182.1 Fab light chain, Spike protein S1, ... | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-04-29 | Release date: | 2021-07-28 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants. Science, 373, 2021
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8KAE
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![BU of 8kae by Molmil](/molmil-images/mine/8kae) | 16d-bound human SPNS2 | Descriptor: | 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, NbFab chain L, NbFab-H chain, ... | Authors: | He, Y, Duan, Y. | Deposit date: | 2023-08-03 | Release date: | 2024-01-03 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2. Cell Res., 34, 2024
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6NZH
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![BU of 6nzh by Molmil](/molmil-images/mine/6nzh) | |
6NZF
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![BU of 6nzf by Molmil](/molmil-images/mine/6nzf) | |
6NZE
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![BU of 6nze by Molmil](/molmil-images/mine/6nze) | |
6OIE
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![BU of 6oie by Molmil](/molmil-images/mine/6oie) | |
6ZOZ
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![BU of 6zoz by Molmil](/molmil-images/mine/6zoz) | Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Locked State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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3W0K
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7AMT
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![BU of 7amt by Molmil](/molmil-images/mine/7amt) | Structure of LuxR with DNA (activation) | Descriptor: | DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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7AMN
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![BU of 7amn by Molmil](/molmil-images/mine/7amn) | Structure of LuxR with DNA (repression) | Descriptor: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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6ZP1
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![BU of 6zp1 by Molmil](/molmil-images/mine/6zp1) | Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Closed State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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7QG1
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![BU of 7qg1 by Molmil](/molmil-images/mine/7qg1) | IRAK4 in complex with inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | Authors: | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | Deposit date: | 2021-12-07 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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7QG3
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![BU of 7qg3 by Molmil](/molmil-images/mine/7qg3) | IRAK4 in complex with inhibitor | Descriptor: | 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | Deposit date: | 2021-12-07 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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6ZP0
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![BU of 6zp0 by Molmil](/molmil-images/mine/6zp0) | Structure of SARS-CoV-2 Spike Protein Trimer (single Arg S1/S2 cleavage site) in Closed State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZOX
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![BU of 6zox by Molmil](/molmil-images/mine/6zox) | Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x2 disulphide-bond mutant, G413C, V987C, single Arg S1/S2 cleavage site) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZP2
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![BU of 6zp2 by Molmil](/molmil-images/mine/6zp2) | Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Locked State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZOY
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![BU of 6zoy by Molmil](/molmil-images/mine/6zoy) | Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Closed State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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7TBH
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![BU of 7tbh by Molmil](/molmil-images/mine/7tbh) | cryo-EM structure of MBP-KIX-apoferritin complex with peptide 7 | Descriptor: | Isoform 2 of CREB-binding protein,Ferritin heavy chain, N-terminally processed, LEU-SER-ARG-ARG-PRO-SEP-TYR-ARG-LYS-ILE-LEU-ASN-ASP-LEU-SER-SER-ASP-ALA-PRO | Authors: | Zhang, K, Horikoshi, N, Li, S, Powers, A, Hameedi, M, Pintilie, G, Chae, H, Khan, Y, Suomivuori, C, Dror, R, Sakamoto, K, Chiu, W, Wakatsuki, S. | Deposit date: | 2021-12-22 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Cryo-EM, Protein Engineering, and Simulation Enable the Development of Peptide Therapeutics against Acute Myeloid Leukemia. Acs Cent.Sci., 8, 2022
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7TB3
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![BU of 7tb3 by Molmil](/molmil-images/mine/7tb3) | cryo-EM structure of MBP-KIX-apoferritin | Descriptor: | Isoform 2 of CREB-binding protein,Ferritin heavy chain, N-terminally processed | Authors: | Zhang, K, Horikoshi, N, Li, S, Powers, A, Hameedi, M, Pintilie, G, Chae, H, Khan, Y, Suomivuori, C, Dror, R, Sakamoto, K, Chiu, W, Wakatsuki, S. | Deposit date: | 2021-12-21 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Cryo-EM, Protein Engineering, and Simulation Enable the Development of Peptide Therapeutics against Acute Myeloid Leukemia. Acs Cent.Sci., 8, 2022
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5WBS
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![BU of 5wbs by Molmil](/molmil-images/mine/5wbs) | Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21 | Descriptor: | Frizzled-7,inhibitor peptide Fz7-21 | Authors: | Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W. | Deposit date: | 2017-06-29 | Release date: | 2018-04-18 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells. Nat. Chem. Biol., 14, 2018
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2JQB
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![BU of 2jqb by Molmil](/molmil-images/mine/2jqb) | Solution structure of a novel D-amiNo acid containing conopeptide, conomarphin at pH 5 | Descriptor: | Conomarphin | Authors: | Huang, F, Du, W, Han, Y, Wang, C, Chi, C. | Deposit date: | 2007-05-31 | Release date: | 2008-06-03 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel D-amiNo acid containing conopeptide, conomarphin at pH 5 To be Published
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7OKB
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![BU of 7okb by Molmil](/molmil-images/mine/7okb) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE 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 (3.58 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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7OKC
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![BU of 7okc by Molmil](/molmil-images/mine/7okc) | Crystal structure of Escherichia coli 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, SODIUM 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 (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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7OKA
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![BU of 7oka by Molmil](/molmil-images/mine/7oka) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14 | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)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: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.74 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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