1FVV
 
 | | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | | Descriptor: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, CYCLIN A, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | Deposit date: | 2000-09-20 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
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1FVT
 | | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR | | Descriptor: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | Deposit date: | 2000-09-20 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
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3UTZ
 | | Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential | | Descriptor: | Metalloproteinase, heavy chain, light chain, ... | | Authors: | Sela-Passwell, N, Kikkeri, R, Dym, O, Rozenberg, H, Margalit, R, Arad-Yellin, R, Eisenstein, M, Brenner, O, Shoham, T, Danon, T, Shanzer, A, Sagi, I, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-11-27 | | Release date: | 2011-12-14 | | Last modified: | 2017-03-15 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Antibodies targeting the catalytic zinc complex of activated matrix metalloproteinases show therapeutic potential.
NAT.MED. (N.Y.), 18, 2012
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2F12
 | | Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor | | Descriptor: | 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, PHOSPHATE ION, Sialidase 2 | | Authors: | Chavas, L.M.G, Kato, R, Mann, M.C, Thomson, R.J, Dyason, J.C, von Itzstein, M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S. | | Deposit date: | 2005-11-14 | | Release date: | 2006-11-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor
To be Published
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2F11
 | | Crystal Structure of the Human Sialidase Neu2 in Complex with isobutyl ether mimetic Inhibitor | | Descriptor: | 2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, PHOSPHATE ION, Sialidase 2 | | Authors: | Chavas, L.M.G, Kato, R, Mann, M.C, Thomson, R.J, Dyason, J.C, von Itzstein, M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S. | | Deposit date: | 2005-11-14 | | Release date: | 2006-11-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Crystal Structure of the Human Sialidase Neu2 in Complex with isobutyl ether mimetic Inhibitor
To be Published
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2F13
 | | Crystal Structure of the Human Sialidase Neu2 in Complex with 2',3'- dihydroxypropyl ether mimetic Inhibitor | | Descriptor: | (2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, PHOSPHATE ION, Sialidase 2 | | Authors: | Chavas, L.M.G, Kato, R, Mann, M.C, Thomson, R.J, Dyason, J.C, von Itzstein, M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S. | | Deposit date: | 2005-11-14 | | Release date: | 2006-11-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal Structure of the Human Sialidase Neu2 in Complex with 2',3'- dihydroxypropyl ether mimetic Inhibitor
To be Published
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5KV9
 | | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | | Deposit date: | 2016-07-13 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
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5KV8
 | | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | | Deposit date: | 2016-07-13 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
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6S8K
 | | Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes | | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sharma, A, Olieric, N, Steinmetz, M. | | Deposit date: | 2019-07-10 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes
Chem, 5, 2019
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7SE9
 | | Crystal structure of human Fibrillarin in complex with compound 1 from single soak | | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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6S8L
 | | Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes | | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sharma, A, Olieric, N, Steinmetz, M. | | Deposit date: | 2019-07-10 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes
Chem, 2019
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7SE6
 | | Crystal structure of human Fibrillarin in ligand-free state | | Descriptor: | FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE7
 | | Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine | | Descriptor: | S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEA
 | | Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SED
 | | Crystal structure of human Fibrillarin in complex with compound 2a | | Descriptor: | FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEC
 | | Crystal structure of human Fibrillarin in complex with compound 1a | | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEB
 | | Crystal structure of human Fibrillarin in complex with compound 2 from single soak | | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE8
 | | Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak | | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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5N74
 | | Microtubule end binding protein complex | | Descriptor: | Karyogamy protein KAR9, Microtubule-associated protein RP/EB family member 1 | | Authors: | Kumar, A, Steinmetz, M. | | Deposit date: | 2017-02-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Short Linear Sequence Motif LxxPTPh Targets Diverse Proteins to Growing Microtubule Ends.
Structure, 25, 2017
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