7UOQ
 
 | | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | | Descriptor: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-04-13 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8867 Å) | | Cite: | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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8OKA
 | | Human Mitochondrial Lon Y394F Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-03-28 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OM7
 | | Human Mitochondrial Lon Y186E Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-03-31 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OJL
 | | Human Mitochondrial Lon Y394E Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-03-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OVF
 | | Human Mitochondrial Lon Y186F Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-04-26 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.23 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OXI
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8OXL
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8PHY
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8OXK
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8OVG
 | | Human Mitochondrial Lon Y186E Mutant ADP Bound | | Descriptor: | Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-04-26 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.47 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OXH
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1XH3
 | | Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Probst-Kepper, M, Hecht, H.J, Herrmann, H, Janke, V, Ocklenburg, F, Klempnauer, J, van den Eynde, B.J, Weiss, S. | | Deposit date: | 2004-09-17 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Conformational restraints and flexibility of 14-meric peptides in complex with HLA-B*3501.
J.Immunol., 173, 2004
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3N0I
 | | Crystal Structure of Ad37 fiber knob in complex with GD1a oligosaccharide | | Descriptor: | Fiber, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ZINC ION | | Authors: | Nilsson, E.C, Storm, R.J, Bauer, J, Johansson, S.M.C, Lookene, A, Angstroem, J, Hedenstroem, M, Fraengsmyr, L, Rinaldi, S, Willison, H, Domelloef, F.P, Stehle, T, Arnberg, N. | | Deposit date: | 2010-05-14 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The GD1a glycan is a cellular receptor for adenoviruses causing epidemic keratoconjunctivitis.
NAT.MED. (N.Y.), 17, 2011
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3SXR
 | | Crystal structure of BMX non-receptor tyrosine kinase complex with dasatinib | | Descriptor: | Cytoplasmic tyrosine-protein kinase BMX, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION | | Authors: | Sack, J, Muckelbauer, J. | | Deposit date: | 2011-07-15 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
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3SXS
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2X36
 | | Structure of the proteolytic domain of the Human Mitochondrial Lon protease | | Descriptor: | LON PROTEASE HOMOLOG, MITOCHONDRIAL | | Authors: | Garcia, J, Ondrovicova, G, Blagova, E, Levdikov, V.M, Bauer, J.A, Kutejova, E, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2010-01-21 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Catalytic Domain of the Human Mitochondrial Lon Protease: Proposed Relation of Oligomer Formation and Activity.
Protein Sci., 19, 2010
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4K6V
 | | Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0407 | | Descriptor: | 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol, 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ACETATE ION, ... | | Authors: | Stehle, T, Bauer, J. | | Deposit date: | 2013-04-16 | | Release date: | 2014-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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4K6U
 | | Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0386 | | Descriptor: | 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol, ACETATE ION, Fiber protein, ... | | Authors: | Stehle, T, Bauer, J. | | Deposit date: | 2013-04-16 | | Release date: | 2014-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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4K6T
 | | Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385 | | Descriptor: | 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, ACETATE ION, ... | | Authors: | Stehle, T, Bauer, J. | | Deposit date: | 2013-04-16 | | Release date: | 2014-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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4K6W
 | | Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0408 | | Descriptor: | 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Stehle, T, Bauer, J. | | Deposit date: | 2013-04-16 | | Release date: | 2014-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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3PTG
 | | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | | Deposit date: | 2010-12-02 | | Release date: | 2011-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | Deposit date: | 2011-05-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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2LLP
 | | Solution structure of a THP type 1 alpha 1 collagen fragment (772-786) | | Descriptor: | Collagen alpha-1(I) chain | | Authors: | Bertini, I, Fragai, M, Luchinat, C, Melikian, M, Toccafondi, M, Lauer, J.L, Fields, G.B, Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2011-11-15 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis.
J.Am.Chem.Soc., 134, 2012
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4AU3
 | | Crystal Structure of a Hsp47-collagen complex | | Descriptor: | 18ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47 ), ... | | Authors: | Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U. | | Deposit date: | 2012-05-14 | | Release date: | 2012-08-15 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3QND
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