2ZVW
 
 | | Crystal structure of Proliferating cell nuclear antigen 2 and Short peptide from human P21 | | Descriptor: | Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen 2, SULFATE ION | | Authors: | Strzalka, W, Oyama, T, Tori, K, Morikawa, K. | | Deposit date: | 2008-11-21 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment
Protein Sci., 18, 2009
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2ZVV
 | | Crystal structure of Proliferating cellular nuclear antigen 1 and Short peptide from human P21 | | Descriptor: | Cyclin-dependent kinase inhibitor 1, Proliferating cellular nuclear antigen 1, SULFATE ION | | Authors: | Strzalka, W, Oyama, T, Tori, K, Morikawa, K. | | Deposit date: | 2008-11-21 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment
Protein Sci., 18, 2009
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2A9K
 | | Crystal structure of the C3bot-NAD-RalA complex reveals a novel type of action of a bacterial exoenzyme | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ... | | Authors: | Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K. | | Deposit date: | 2005-07-12 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme.
Embo J., 24, 2005
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1WOK
 | | Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase complexed with a quinoxaline-type inhibitor | | Descriptor: | 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE, Poly [ADP-ribose] polymerase-1 | | Authors: | Iwashita, A, Hattori, K, Yamamoto, H, Ishida, J, Kido, Y, Kamijo, K, Murano, K, Miyake, H, Kinoshita, T, Warizaya, M, Ohkubo, M, Matsuoka, N, Mutoh, S. | | Deposit date: | 2004-08-20 | | Release date: | 2005-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of quinazolinone and quinoxaline derivatives as potent and selective poly(ADP-ribose) polymerase-1/2 inhibitors.
Febs Lett., 579, 2005
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1WCZ
 | | Crystal structure of an alkaline form of v8 protease from Staphylococcus aureus | | Descriptor: | Glutamyl endopeptidase, ZINC ION | | Authors: | Yamada, K, Ohta, M, Hasegawa, T, Torii, K, Murakami, M, Kouyama, K. | | Deposit date: | 2004-05-10 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of an alkaline form of v8 protease from Staphylococcus aureus
To be Published
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1WTG
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | | Authors: | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-11-23 | | Release date: | 2005-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
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3JT1
 | | Legionella pneumophila glucosyltransferase Lgt1, UDP-bound form | | Descriptor: | Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE | | Authors: | Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O. | | Deposit date: | 2009-09-11 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
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3JSZ
 | | Legionella pneumophila glucosyltransferase Lgt1 N293A with UDP-Glc | | Descriptor: | MAGNESIUM ION, Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O. | | Deposit date: | 2009-09-11 | | Release date: | 2010-02-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
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1WUN
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-12-08 | | Release date: | 2005-12-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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1WV7
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-12-11 | | Release date: | 2005-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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3VV6
 | | Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
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3VV8
 | | Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3VV7
 | | Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one | | Descriptor: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3WB5
 | | Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one | | Descriptor: | (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2013-05-13 | | Release date: | 2013-10-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
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5AZE
 | | Fab fragment of calcium-dependent antigen binding antibody, 6RL#9 | | Descriptor: | 6RL#9 FAB HEAVY CHAIN, 6RL#9 FAB LIGHT CHAIN, CALCIUM ION | | Authors: | Kadono, S, Hironiwa, N, Ishii, S, Igawa, T, Hattori, K. | | Deposit date: | 2015-10-02 | | Release date: | 2015-11-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Calcium-dependent antigen binding as a novel modality for antibody recycling by endosomal antigen dissociation
Mabs, 8, 2016
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3BW8
 | | Crystal structure of the Clostridium limosum C3 exoenzyme | | Descriptor: | Mono-ADP-ribosyltransferase C3, SULFATE ION | | Authors: | Vogelsgesang, M, Stieglitz, B, Herrmann, C, Pautsch, A, Aktories, K. | | Deposit date: | 2008-01-08 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the Clostridium limosum C3 exoenzyme.
Febs Lett., 582, 2008
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4O9Y
 | | Crystal Structure of TcdA1 | | Descriptor: | TcdA1 | | Authors: | Meusch, D, Gatsogiannis, C, Efremov, R.G, Lang, A.E, Hofnagel, O, Vetter, I.R, Aktories, K, Raunser, S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.502 Å) | | Cite: | Mechanism of Tc toxin action revealed in molecular detail.
Nature, 508, 2014
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4O9X
 | | Crystal Structure of TcdB2-TccC3 | | Descriptor: | MERCURY (II) ION, TcdB2, TccC3 | | Authors: | Meusch, D, Gatsogiannis, C, Efremov, R.G, Lang, A.E, Hofnagel, O, Vetter, I.R, Aktories, K, Raunser, S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Mechanism of Tc toxin action revealed in molecular detail.
Nature, 508, 2014
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1R4T
 | | Solution structure of exoenzyme S | | Descriptor: | exoenzyme S | | Authors: | Langdon, G.M, Leitner, D, Labudde, D, Kuhne, R, Schmieder, P, Aktories, K, Oschkinat, H.O, Schmidt, G. | | Deposit date: | 2003-10-08 | | Release date: | 2005-04-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal GTPase activating domain of Pseudomonas aeruginosa exoenzyme S
To be Published
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2VKD
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LETHAL TOXIN FROM CLOSTRIDIUM SORDELLII IN COMPLEX WITH UDP-GLC AND MANGANESE ION | | Descriptor: | CYTOTOXIN L, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Ziegler, M.O.P, Jank, T, Aktories, K, Schulz, G.E. | | Deposit date: | 2007-12-18 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Conformational Changes and Reaction of Clostridial Glycosylating Toxins.
J.Mol.Biol., 377, 2008
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2VSA
 | | Structure and mode of action of a mosquitocidal holotoxin | | Descriptor: | MOSQUITOCIDAL TOXIN | | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | | Deposit date: | 2008-04-22 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin
J.Mol.Biol., 381, 2008
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2VL8
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LETHAL TOXIN FROM CLOSTRIDIUM SORDELLII IN COMPLEX WITH UDP, CASTANOSPERMINE AND CALCIUM ION | | Descriptor: | CALCIUM ION, CASTANOSPERMINE, CYTOTOXIN L, ... | | Authors: | Jank, T, Ziegler, M.O.P, Schulz, G.E, Aktories, K. | | Deposit date: | 2008-01-09 | | Release date: | 2008-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Inhibition of the Glucosyltransferase Activity of Clostridial Rho/Ras-Glucosylating Toxins by Castanospermine.
FEBS Lett., 582, 2008
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2VK9
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2VKH
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LETHAL TOXIN FROM CLOSTRIDIUM SORDELLII IN COMPLEX WITH UDP-GLC AND CALCIUM ION | | Descriptor: | CALCIUM ION, CYTOTOXIN L, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Ziegler, M.O.P, Jank, T, Aktories, K, Schulz, G.E. | | Deposit date: | 2007-12-19 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational Changes and Reaction of Clostridial Glycosylating Toxins.
J.Mol.Biol., 377, 2008
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2VSE
 | | Structure and mode of action of a mosquitocidal holotoxin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MOSQUITOCIDAL TOXIN | | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | | Deposit date: | 2008-04-22 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin.
J.Mol.Biol., 381, 2008
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