2V5G
 
 | | Crystal structure of the mutated N263A YscU C-terminal domain | | Descriptor: | CHLORIDE ION, YSCU | | Authors: | Wiesand, U, Sorg, I, Amstutz, M, Wagner, S, Van Den Heuvel, J, Luehrs, T, Cornelis, G.R, Heinz, D.W. | | Deposit date: | 2008-10-06 | | Release date: | 2008-11-04 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Type III Secretion Recognition Protein Yscu from Yersinia Enterocolitica
J.Mol.Biol., 385, 2009
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4A10
 | | Apo-structure of 2-octenoyl-CoA carboxylase reductase CinF from streptomyces sp. | | Descriptor: | OCTENOYL-COA REDUCTASE/CARBOXYLASE | | Authors: | Quade, N, Huo, L, Rachid, S, Heinz, D.W, Muller, R. | | Deposit date: | 2011-09-13 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Unusual Carbon Fixation Giving Rise to Diverse Polyketide Extender Units
Nat.Chem.Biol., 8, 2011
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5LQ6
 | | Salmonella effector SpvD - R161 variant | | Descriptor: | SODIUM ION, Virulence protein vsdE | | Authors: | Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
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2V8I
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2VVU
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-11 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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8SU4
 | | F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Eaton, S.A, Christianson, D.W. | | Deposit date: | 2023-05-11 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
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4BSQ
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | Descriptor: | (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION | | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H. | | Deposit date: | 2013-06-11 | | Release date: | 2013-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
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8SW1
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4BS5
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | Descriptor: | (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide, CATHEPSIN S | | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | | Deposit date: | 2013-06-07 | | Release date: | 2013-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
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8SU1
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8SU3
 | | F95S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Eaton, S.A, Christianson, D.W. | | Deposit date: | 2023-05-11 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
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8SU0
 | | Unliganded F96H epi-Isozizaene Synthase | | Descriptor: | Epi-isozizaene synthase, SULFATE ION | | Authors: | Eaton, S.A, Christianson, D.W. | | Deposit date: | 2023-05-11 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
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4BS6
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | Descriptor: | (2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN S, GLYCEROL | | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | | Deposit date: | 2013-06-07 | | Release date: | 2014-06-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Cathepsin S Nitrile Inhibitors
To be Published
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8SU5
 | | F198T epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Eaton, S.A, Christianson, D.W. | | Deposit date: | 2023-05-11 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
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6T8W
 | | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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8SU2
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8SW0
 | | Puromycin sensitive aminopeptidase | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Puromycin-sensitive aminopeptidase, ... | | Authors: | Rodgers, D.W, Sampath, S. | | Deposit date: | 2023-05-17 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure of puromycin-sensitive aminopeptidase and polyglutamine binding.
Plos One, 18, 2023
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2VXY
 | | The structure of FTsZ from Bacillus subtilis at 1.7A resolution | | Descriptor: | CELL DIVISION PROTEIN FTSZ, CITRIC ACID, POTASSIUM ION | | Authors: | Barynin, V.V, Baker, P.J, Rice, D.W, Sedelnikova, S.E, Haydon, D.J, Stokes, N.R, Ure, R, Galbraith, G, Bennett, J.M, Brown, D.R, Heal, J.R, Sheridan, J.M, Aiwale, S.T, Chauhan, P.K, Srivastava, A, Taneja, A, Collins, I, Errington, J, Czaplewski, L.G. | | Deposit date: | 2008-07-15 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An Inhibitor of Ftsz with Potent and Selective Anti-Staphylococcal Activity.
Science, 321, 2008
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4CH7
 | | Crystal structure of the siroheme decarboxylase NirDL | | Descriptor: | NIRD-LIKE PROTEIN | | Authors: | Schmelz, S, Kriegler, T.M, Haufschildt, K, Layer, G, Heinz, D.W. | | Deposit date: | 2013-11-29 | | Release date: | 2014-07-30 | | Last modified: | 2014-09-10 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues
J.Mol.Biol., 426, 2014
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8SYF
 | | Homology model of Acto-HMM complex in ADP-state. Chicken smooth muscle HMM and chicken pectoralis actin | | Descriptor: | Actin, alpha skeletal muscle, Myosin light polypeptide 6, ... | | Authors: | Hojjatian, A, Taylor, D.W, Daneshparvar, N, Trybus, K.M, Taylor, K.A. | | Deposit date: | 2023-05-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (19 Å) | | Cite: | Double-headed binding of myosin II to F-actin shows the effect of strain on head structure.
J.Struct.Biol., 215, 2023
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4AW4
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1SVI
 | | Crystal Structure of the GTP-binding protein YsxC complexed with GDP | | Descriptor: | GTP-binding protein YSXC, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Baker, P.J, Artymiuk, P.J, Garcia-Lara, J, Foster, S.J, Rice, D.W. | | Deposit date: | 2004-03-29 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of the Open and Closed Conformations of the GTP-binding Protein YsxC from Bacillus subtilis.
J.Mol.Biol., 339, 2004
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6ABR
 | | Actin interacting protein 5 (Aip5, wild type) | | Descriptor: | Actin binding protein | | Authors: | Sun, J, Xie, Y, Toh, J.D.W, Hong, W, MIao, Y, Gao, Y.G. | | Deposit date: | 2018-07-23 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019
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6T8U
 | | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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1H6U
 | | Internalin H: crystal structure of fused N-terminal domains. | | Descriptor: | INTERNALIN H | | Authors: | Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W. | | Deposit date: | 2001-06-25 | | Release date: | 2001-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain.
J.Mol.Biol., 312, 2001
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