5PZT
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![BU of 5pzt by Molmil](/molmil-images/mine/5pzt) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-18 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea To be published
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5PZW
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![BU of 5pzw by Molmil](/molmil-images/mine/5pzw) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[5-[(3-chlorophenyl)sulfonylcarbamoylamino]pentyl]urea | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Fructose-1,6-bisphosphatase 1, N,N'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-16 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[5-[(3-chlorophenyl)sulfonylcarbamoylamino]pentyl]urea To be published
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5Q0B
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![BU of 5q0b by Molmil](/molmil-images/mine/5q0b) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-3-methyl-1,2-thiazol-5-yl)-3-(3-methylphenyl)sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-18 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(4-bromo-3-methyl-1,2-thiazol-5-yl)-3-(3-methylphenyl)sulfonylurea To be published
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2NDF
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![BU of 2ndf by Molmil](/molmil-images/mine/2ndf) | |
2NDG
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![BU of 2ndg by Molmil](/molmil-images/mine/2ndg) | |
6KKT
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![BU of 6kkt by Molmil](/molmil-images/mine/6kkt) | human KCC1 structure determined in KCl and lipid nanodisc | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | Deposit date: | 2019-07-27 | Release date: | 2019-10-23 | Last modified: | 2020-08-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1. Science, 366, 2019
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6KKR
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![BU of 6kkr by Molmil](/molmil-images/mine/6kkr) | human KCC1 structure determined in KCl and detergent GDN | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | Deposit date: | 2019-07-27 | Release date: | 2019-10-23 | Last modified: | 2020-08-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1. Science, 366, 2019
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5VGU
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![BU of 5vgu by Molmil](/molmil-images/mine/5vgu) | |
6KKU
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![BU of 6kku by Molmil](/molmil-images/mine/6kku) | human KCC1 structure determined in NaCl and GDN | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | Deposit date: | 2019-07-27 | Release date: | 2019-10-23 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1. Science, 366, 2019
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7CSW
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![BU of 7csw by Molmil](/molmil-images/mine/7csw) | Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter | Descriptor: | HTH cro/C1-type domain-containing protein, pa2440 | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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7CSV
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![BU of 7csv by Molmil](/molmil-images/mine/7csv) | Pseudomonas aeruginosa antitoxin HigA | Descriptor: | HTH cro/C1-type domain-containing protein | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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7CSY
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![BU of 7csy by Molmil](/molmil-images/mine/7csy) | Pseudomonas aeruginosa antitoxin HigA with higBA promoter | Descriptor: | DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ... | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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7CO5
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![BU of 7co5 by Molmil](/molmil-images/mine/7co5) | HtrA-type protease AlgW with decapeptide | Descriptor: | AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.345 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO3
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![BU of 7co3 by Molmil](/molmil-images/mine/7co3) | HtrA-type protease AlgWS227A with tripeptide | Descriptor: | AlgW protein, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO2
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![BU of 7co2 by Molmil](/molmil-images/mine/7co2) | HtrA-type protease AlgW with tripeptide | Descriptor: | AlgW protein, IMIDAZOLE, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO7
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![BU of 7co7 by Molmil](/molmil-images/mine/7co7) | HtrA-type protease AlgWS227A with decapeptide | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, AlgW protein, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-04 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7BZ5
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![BU of 7bz5 by Molmil](/molmil-images/mine/7bz5) | Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of B38, Light chain of B38, ... | Authors: | Wu, Y, Qi, J, Gao, F. | Deposit date: | 2020-04-26 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2. Science, 368, 2020
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7X9E
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![BU of 7x9e by Molmil](/molmil-images/mine/7x9e) | Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide | Descriptor: | 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide | Authors: | Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B. | Deposit date: | 2022-03-15 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2. Nat Microbiol, 7, 2022
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7DDX
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![BU of 7ddx by Molmil](/molmil-images/mine/7ddx) | Crystal structure of KANK1 S1179F mutant in complex wtih eIF4A1 | Descriptor: | Eukaryotic initiation factor 4A-I, GLYCEROL, KN motif and ankyrin repeat domains 1, ... | Authors: | Pan, W, Xu, Y, Wei, Z. | Deposit date: | 2020-10-30 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nephrotic-syndrome-associated mutation of KANK2 induces pathologic binding competition with physiological interactor KIF21A. J.Biol.Chem., 297, 2021
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6VBN
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![BU of 6vbn by Molmil](/molmil-images/mine/6vbn) | Crystal Structure of hTDO2 bound to inhibitor GNE1 | Descriptor: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Harris, S.F, Oh, A. | Deposit date: | 2019-12-19 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. Acs Med.Chem.Lett., 11, 2020
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7Y6D
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![BU of 7y6d by Molmil](/molmil-images/mine/7y6d) | |
5QC4
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![BU of 5qc4 by Molmil](/molmil-images/mine/5qc4) | Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone, Cathepsin S | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7YQK
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![BU of 7yqk by Molmil](/molmil-images/mine/7yqk) | cryo-EM structure of gammaH2AXK15ub-H4K20me2 nucleosome bound to 53BP1 | Descriptor: | DNA (145-MER), Histone H2AX, Histone H2B, ... | Authors: | Ai, H.S, GuoChao, C, Qingyue, G, Ze-Bin, T, Zhiheng, D, Xin, L, Fan, Y, Ziyu, X, Jia-Bin, L, Changlin, T, Liu, L. | Deposit date: | 2022-08-07 | Release date: | 2022-08-17 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Chemical Synthesis of Post-Translationally Modified H2AX Reveals Redundancy in Interplay between Histone Phosphorylation, Ubiquitination, and Methylation on the Binding of 53BP1 with Nucleosomes. J.Am.Chem.Soc., 144, 2022
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8HQY
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![BU of 8hqy by Molmil](/molmil-images/mine/8hqy) | Cryo-EM structure of SSX1 bound to the H2AK119Ub nucleosome at a resolution of 3.05 angstrom | Descriptor: | DNA (136-MER), DNA (137-MER), Histone H2A type 1-B/E, ... | Authors: | Zebin, T, Ai, H.S, Ziyu, X, GuoChao, C, Man, P, Liu, L. | Deposit date: | 2022-12-14 | Release date: | 2023-09-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes. Nat.Struct.Mol.Biol., 31, 2024
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5QBV
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![BU of 5qbv by Molmil](/molmil-images/mine/5qbv) | Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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