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PDB: 107 件

7UOQ
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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
分子名称: (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
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-04-13
公開日2022-07-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8867 Å)
主引用文献Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022
8OKA
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Human Mitochondrial Lon Y394F Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-28
公開日2024-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OM7
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Human Mitochondrial Lon Y186E Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-31
公開日2024-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OJL
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Human Mitochondrial Lon Y394E Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-24
公開日2024-04-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OVF
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Human Mitochondrial Lon Y186F Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-04-26
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.23 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OXI
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crystal structure of powdery mildews Blumeria graminis f. sp. tritici AVRPM2(1)
分子名称: BgtE-5845_p
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-05-02
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OXL
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crystal structure of powdery mildews Blumeria graminis f. sp. hordei AVRA7
分子名称: AVRA7
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-05-02
公開日2023-08-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8PHY
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crystal structure of powdery mildews Blumeria graminis f. sp. tritici AVRPM2 (2)
分子名称: BgtE-5845_p
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-06-20
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OXK
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crystal structure of powdery mildews Blumeria graminis f. sp. hordei AVRA10
分子名称: CSEP0141 putative effector protein
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-05-02
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OVG
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Human Mitochondrial Lon Y186E Mutant ADP Bound
分子名称: Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-04-26
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.47 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OXH
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crystal structure of powdery mildews Blumeria graminis f. sp. hordei AVRA6
分子名称: AVRA6
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.
登録日2023-05-02
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
1XH3
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BU of 1xh3 by Molmil
Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Probst-Kepper, M, Hecht, H.J, Herrmann, H, Janke, V, Ocklenburg, F, Klempnauer, J, van den Eynde, B.J, Weiss, S.
登録日2004-09-17
公開日2004-11-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Conformational restraints and flexibility of 14-meric peptides in complex with HLA-B*3501.
J.Immunol., 173, 2004
3N0I
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BU of 3n0i by Molmil
Crystal Structure of Ad37 fiber knob in complex with GD1a oligosaccharide
分子名称: 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
著者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.
登録日2010-05-14
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The GD1a glycan is a cellular receptor for adenoviruses causing epidemic keratoconjunctivitis.
NAT.MED. (N.Y.), 17, 2011
3SXR
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BU of 3sxr by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complex with dasatinib
分子名称: 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
著者Sack, J, Muckelbauer, J.
登録日2011-07-15
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
3SXS
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BU of 3sxs by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complexed with PP2
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Cytoplasmic tyrosine-protein kinase BMX
著者Sack, J, Muckelbauer, J.
登録日2011-07-15
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
2X36
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BU of 2x36 by Molmil
Structure of the proteolytic domain of the Human Mitochondrial Lon protease
分子名称: LON PROTEASE HOMOLOG, MITOCHONDRIAL
著者Garcia, J, Ondrovicova, G, Blagova, E, Levdikov, V.M, Bauer, J.A, Kutejova, E, Wilkinson, A.J, Wilson, K.S.
登録日2010-01-21
公開日2010-05-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Catalytic Domain of the Human Mitochondrial Lon Protease: Proposed Relation of Oligomer Formation and Activity.
Protein Sci., 19, 2010
4K6V
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Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0407
分子名称: 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, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6U
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BU of 4k6u by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0386
分子名称: 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol, ACETATE ION, Fiber protein, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6T
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Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385
分子名称: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, ACETATE ION, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6W
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BU of 4k6w by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0408
分子名称: 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, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
3PTG
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BU of 3ptg by Molmil
Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor
分子名称: 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
著者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.
登録日2010-12-02
公開日2011-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
3RTP
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BU of 3rtp by Molmil
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
分子名称: 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
著者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.
登録日2011-05-03
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
2LLP
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BU of 2llp by Molmil
Solution structure of a THP type 1 alpha 1 collagen fragment (772-786)
分子名称: Collagen alpha-1(I) chain
著者Bertini, I, Fragai, M, Luchinat, C, Melikian, M, Toccafondi, M, Lauer, J.L, Fields, G.B, Structural Proteomics in Europe 2 (SPINE-2)
登録日2011-11-15
公開日2012-05-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis.
J.Am.Chem.Soc., 134, 2012
4AU3
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BU of 4au3 by Molmil
Crystal Structure of a Hsp47-collagen complex
分子名称: 18ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47 ), ...
著者Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U.
登録日2012-05-14
公開日2012-08-15
最終更新日2012-08-29
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献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
3QND
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BU of 3qnd by Molmil
crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor
分子名称: Fiber protein, N-acetyl-alpha-neuraminic acid, ZINC ION
著者Stehle, T, Bauer, J, Elofsson, M.
登録日2011-02-08
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A potent trivalent sialic Acid inhibitor of adenovirus type 37 infection of human corneal cells.
Angew.Chem.Int.Ed.Engl., 50, 2011

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