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4KIP
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BU of 4kip by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
Descriptor: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
3WUT
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BU of 3wut by Molmil
Structure basis of inactivating cell abscission
Descriptor: Centrosomal protein of 55 kDa, GLYCEROL, Inactive serine/threonine-protein kinase TEX14
Authors:Kim, H.J, Matsuura, A, Lee, H.H.
Deposit date:2014-05-05
Release date:2015-07-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
3WUV
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BU of 3wuv by Molmil
Structure basis of inactivating cell abscission with chimera peptide 2
Descriptor: Centrosomal protein of 55 kDa, peptide from Programmed cell death 6-interacting protein
Authors:Kim, H.J, Matsuura, A, Lee, H.H.
Deposit date:2014-05-05
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
1FE8
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BU of 1fe8 by Molmil
CRYSTAL STRUCTURE OF THE VON WILLEBRAND FACTOR A3 DOMAIN IN COMPLEX WITH A FAB FRAGMENT OF IGG RU5 THAT INHIBITS COLLAGEN BINDING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, IMMUNOGLOBULIN IGG RU5, ...
Authors:Bouma, B, Huizinga, E.G, Schiphorst, M.E, Sixma, J.J, Kroon, J, Gros, P.
Deposit date:2000-07-21
Release date:2001-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identification of the collagen-binding site of the von Willebrand factor A3-domain.
J.Biol.Chem., 276, 2001
3WUU
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BU of 3wuu by Molmil
Structure basis of inactivating cell abscission with chimera peptide 1
Descriptor: Centrosomal protein of 55 kDa, TEX-14
Authors:Kim, H.J, Matsuura, A, Lee, H.H.
Deposit date:2014-05-05
Release date:2015-07-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
7KNA
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BU of 7kna by Molmil
Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,I53_dn5
Authors:Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
4QRS
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BU of 4qrs by Molmil
Crystal Structure of HLA B*0801 in complex with ELK_IYM, ELKRKMIYM
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Twist, K.-A, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-12-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
7K6O
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BU of 7k6o by Molmil
Crystal structure of PI3Kalpha inhibitor 10-5429
Descriptor: (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.738 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7K71
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BU of 7k71 by Molmil
Crystal structure of PI3Kalpha inhibitor 4-0686
Descriptor: 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7K6N
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BU of 7k6n by Molmil
Crystal structure of PI3Kalpha selective Inhibitor 11-1575
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
4PV9
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BU of 4pv9 by Molmil
Crystal Structure of H2Kb-Q600V complex
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Twist, K.-A, Rossjohn, J, Gras, S.
Deposit date:2014-03-15
Release date:2014-04-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes.
J.Immunol., 192, 2014
4PG2
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BU of 4pg2 by Molmil
The crystal structure of H-2Db with a S-glutathionylated peptide
Descriptor: Beta-2-microglobulin, CYS-SER-LEU-TRP-ASN-GLY-PRO-HIS-LEU, GLUTATHIONE, ...
Authors:Theodossis, A, Rossjohn, J.
Deposit date:2014-05-01
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The cellular redox environment alters antigen presentation.
J.Biol.Chem., 289, 2014
7K6M
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BU of 7k6m by Molmil
Crystal structure of PI3Kalpha selective Inhibitor PF-06843195
Descriptor: 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
4PV8
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BU of 4pv8 by Molmil
Crystal Structure of H2Kb-Q600F complex
Descriptor: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Twist, K.-A, Rossjohn, J, Gras, S.
Deposit date:2014-03-15
Release date:2014-04-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes.
J.Immunol., 192, 2014
3KWW
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BU of 3kww by Molmil
Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide
Descriptor: ACETIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
Deposit date:2009-12-01
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 2010
7LYG
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BU of 7lyg by Molmil
Zika virus RNA promoter stem-loop A with tRNA-scaffold
Descriptor: RNA promoter stem-loop A fused with tRNA
Authors:Lee, E.H, Choi, K.H.
Deposit date:2021-03-06
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.804 Å)
Cite:Structures of flavivirus RNA promoters suggest two binding modes with NS5 polymerase.
Nat Commun, 12, 2021
7LYF
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BU of 7lyf by Molmil
Dengue virus RNA promoter stem-loop A fused with tRNA-scaffold
Descriptor: MAGNESIUM ION, RNA promoter stem-loop A fused with tRNA
Authors:Lee, E.H, Choi, K.H.
Deposit date:2021-03-06
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of flavivirus RNA promoters suggest two binding modes with NS5 polymerase.
Nat Commun, 12, 2021
1QA0
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BU of 1qa0 by Molmil
BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN
Authors:Whitlow, M.
Deposit date:1999-04-09
Release date:2000-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
3FHM
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BU of 3fhm by Molmil
Crystal structure of the CBS-domain containing protein ATU1752 from Agrobacterium tumefaciens
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE MONOPHOSPHATE, SULFATE ION, ...
Authors:Singer, A.U, Xu, X, Zhang, R, Cui, H, Kudritsdka, M, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-12-09
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the CBS-domain containing protein ATU1752 from Agrobacterium tumefaciens
To be Published
1MV3
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BU of 1mv3 by Molmil
NMR STRUCTURE OF THE TUMOR SUPPRESSOR BIN1: ALTERNATIVE SPLICING IN MELANOMA AND INTERACTION WITH C-MYC
Descriptor: Myc box dependent interacting protein 1
Authors:Pineda-Lucena, A, Arrowsmith, C.H.
Deposit date:2002-09-24
Release date:2003-09-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A structure-based model of the c-Myc/Bin1 protein interaction shows alternative splicing of Bin1 and c-Myc phosphorylation are key binding determinants.
J.Mol.Biol., 351, 2005
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
Descriptor: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORR
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BU of 2orr by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex
Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
1MUZ
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BU of 1muz by Molmil
NMR STRUCTURE OF THE TUMOR SUPPRESSOR BIN1: ALTERNATIVE SPLICING IN MELANOMA AND INTERACTION WITH C-MYC
Descriptor: Myc box dependent interacting protein 1
Authors:Pineda-Lucena, A, Arrowsmith, C.H.
Deposit date:2002-09-24
Release date:2003-09-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A structure-based model of the c-Myc/Bin1 protein interaction shows alternative splicing of Bin1 and c-Myc phosphorylation are key binding determinants.
J.Mol.Biol., 351, 2005
2ORT
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BU of 2ort by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex
Descriptor: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007

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数据于2024-07-03公开中

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