2XZG
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![BU of 2xzg by Molmil](/molmil-images/mine/2xzg) | Clathrin Terminal Domain Complexed with Pitstop 1 | Descriptor: | 2-(4-AMINOBENZYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-5-SULFONATE, ACETATE ION, CLATHRIN HEAVY CHAIN 1, ... | Authors: | Bulut, H, Von Kleist, L, Saenger, W, Haucke, V. | Deposit date: | 2010-11-25 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Role of the Clathrin Terminal Domain in Regulating Coated Pit Dynamics Revealed by Small Molecule Inhibition. Cell(Cambridge,Mass.), 146, 2011
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7ET0
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![BU of 7et0 by Molmil](/molmil-images/mine/7et0) | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip | Descriptor: | Bacteria factor A, Bacteria factor B | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-05-12 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors. Proc.Natl.Acad.Sci.USA, 118, 2021
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2IOU
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7ATW
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![BU of 7atw by Molmil](/molmil-images/mine/7atw) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) | Descriptor: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-01 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7EVT
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![BU of 7evt by Molmil](/molmil-images/mine/7evt) | Crystal structure of the N-terminal degron-truncated human glutamine synthetase | Descriptor: | Glutamine synthetase | Authors: | Chek, M.F, Kim, S.Y, Mori, T, Hakoshima, T. | Deposit date: | 2021-05-22 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of N-terminal degron-truncated human glutamine synthetase. Acta Crystallogr.,Sect.F, 77, 2021
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7EOK
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![BU of 7eok by Molmil](/molmil-images/mine/7eok) | Crystal structure of the Pepper aptamer in complex with HBC485 | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2021-04-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based investigation of fluorogenic Pepper aptamer. Nat.Chem.Biol., 17, 2021
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7AUB
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![BU of 7aub by Molmil](/molmil-images/mine/7aub) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) | Descriptor: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.907 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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5L3S
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![BU of 5l3s by Molmil](/molmil-images/mine/5l3s) | Structure of the GTPase heterodimer of crenarchaeal SRP54 and FtsY | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Bange, G, Wild, K, Sinning, I. | Deposit date: | 2016-05-24 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex. J.Mol.Biol., 428, 2016
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7AUH
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![BU of 7auh by Molmil](/molmil-images/mine/7auh) | Structure of P. aeruginosa PBP3 in complex with vaborbactam | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-03 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7FID
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![BU of 7fid by Molmil](/molmil-images/mine/7fid) | Processive cleavage of substrate at individual proteolytic active sites of the Lon proteasecomplex (conformation 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | Deposit date: | 2021-07-31 | Release date: | 2021-11-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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7QY2
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![BU of 7qy2 by Molmil](/molmil-images/mine/7qy2) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2 | Descriptor: | (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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7Q62
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7EOO
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![BU of 7eoo by Molmil](/molmil-images/mine/7eoo) | Crystal structure of the Pepper aptamer in complex with HBC525 | Descriptor: | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2021-04-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure-based investigation of fluorogenic Pepper aptamer. Nat.Chem.Biol., 17, 2021
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7AU1
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![BU of 7au1 by Molmil](/molmil-images/mine/7au1) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) | Descriptor: | 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7FBP
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![BU of 7fbp by Molmil](/molmil-images/mine/7fbp) | FXIIa-cMCoFx1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1 | Authors: | Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K. | Deposit date: | 2021-07-12 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold. J.Am.Chem.Soc., 143, 2021
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7SZC
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7FIZ
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![BU of 7fiz by Molmil](/molmil-images/mine/7fiz) | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 3) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | Deposit date: | 2021-08-01 | Release date: | 2021-11-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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2LY9
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![BU of 2ly9 by Molmil](/molmil-images/mine/2ly9) | Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F | Descriptor: | Zinc fingers and homeoboxes protein 1 | Authors: | Xu, X, Eletsky, A, Mills, J.L, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-09-14 | Release date: | 2012-11-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F To be Published
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7EOP
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![BU of 7eop by Molmil](/molmil-images/mine/7eop) | Crystal structure of the Pepper aptamer in complex with HBC620 | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2021-04-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based investigation of fluorogenic Pepper aptamer. Nat.Chem.Biol., 17, 2021
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2XPA
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![BU of 2xpa by Molmil](/molmil-images/mine/2xpa) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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7QY0
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![BU of 7qy0 by Molmil](/molmil-images/mine/7qy0) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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7EOL
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![BU of 7eol by Molmil](/molmil-images/mine/7eol) | Crystal structure of the Pepper aptamer in complex with HBC497 | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2021-04-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structure-based investigation of fluorogenic Pepper aptamer. Nat.Chem.Biol., 17, 2021
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7QQM
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![BU of 7qqm by Molmil](/molmil-images/mine/7qqm) | The PDZ domain of LRRC7 fused with ANXA2 | Descriptor: | CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2 | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2022-01-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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7KNQ
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![BU of 7knq by Molmil](/molmil-images/mine/7knq) | SARM1 Octamer | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Shen, C, Wu, H. | Deposit date: | 2020-11-05 | Release date: | 2021-11-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Multiple domain interfaces mediate SARM1 autoinhibition. Proc.Natl.Acad.Sci.USA, 118, 2021
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7QY1
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![BU of 7qy1 by Molmil](/molmil-images/mine/7qy1) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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