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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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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7Q62
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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