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PDB: 119 件

6B8A
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Crystal structure of MvfR ligand binding domain in complex with M64
分子名称: 2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide, COBALT HEXAMMINE(III), DNA-binding transcriptional regulator
著者Kitao, T, Steinbacher, S, Maskos, K, Blaesse, M, Rahme, L.G.
登録日2017-10-05
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Molecular Insights into Function and Competitive Inhibition ofPseudomonas aeruginosaMultiple Virulence Factor Regulator.
MBio, 9, 2018
6GL3
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Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44
分子名称: (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
著者Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J.
登録日2018-05-22
公開日2018-08-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
2JDW
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CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREATINE BIOSYNTHESIS
分子名称: L-ARGININE:GLYCINE AMIDINOTRANSFERASE
著者Humm, A, Fritsche, E, Steinbacher, S, Huber, R.
登録日1997-01-24
公開日1998-01-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and mechanism of human L-arginine:glycine amidinotransferase: a mitochondrial enzyme involved in creatine biosynthesis.
EMBO J., 16, 1997
3HKF
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Murine unglycosylated IgG Fc fragment
分子名称: CHLORIDE ION, Igh protein, MAGNESIUM ION
著者Feige, M.J, Nath, S, Catharino, S.R, Weinfurtner, D, Steinbacher, S, Buchner, J.
登録日2009-05-23
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the murine unglycosylated IgG1 Fc fragment
J.Mol.Biol., 391, 2009
4GV1
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PKB alpha in complex with AZD5363
分子名称: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
著者Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
登録日2012-08-30
公開日2013-02-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
5MU8
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HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525
分子名称: Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
著者Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J.
登録日2017-01-12
公開日2017-03-29
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.
J. Med. Chem., 60, 2017
3JDW
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CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREATINE BIOSYNTHESIS
分子名称: L-ARGININE:GLYCINE AMIDINOTRANSFERASE, L-ornithine
著者Humm, A, Fritsche, E, Steinbacher, S, Huber, R.
登録日1997-01-24
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure and mechanism of human L-arginine:glycine amidinotransferase: a mitochondrial enzyme involved in creatine biosynthesis.
EMBO J., 16, 1997
4DMX
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Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4JDW
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CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREATINE BIOSYNTHESIS
分子名称: ARGININE, L-ARGININE:GLYCINE AMIDINOTRANSFERASE
著者Humm, A, Fritsche, E, Steinbacher, S, Huber, R.
登録日1997-01-24
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and mechanism of human L-arginine:glycine amidinotransferase: a mitochondrial enzyme involved in creatine biosynthesis.
EMBO J., 16, 1997
1KZ6
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Mutant enzyme W63Y/L119F Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYY
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Lumazine Synthase from S.pombe bound to nitropyrimidinedione
分子名称: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ1
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Mutant enzyme W27G Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ9
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Mutant Enzyme L119F Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYX
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Lumazine Synthase from S.pombe bound to carboxyethyllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ4
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Mutant enzyme W63Y Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYV
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Lumazine Synthase from S.pombe bound to riboflavin
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, RIBOFLAVIN
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
6AY2
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Structure of CathB with covalently linked Compound 28
分子名称: Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
著者Kiefer, J.R, Steinbacher, S.
登録日2017-09-07
公開日2017-12-27
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.
J. Med. Chem., 61, 2018
1KZL
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Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase
著者Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M.
登録日2002-02-07
公開日2002-11-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine
STRUCTURE, 10, 2002
1N08
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BU of 1n08 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, ZINC ION, putative riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1N07
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BU of 1n07 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, PUTATIVE riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1TKU
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Crystal Structure of 3,4-Dihydroxy-2-butanone 4-phosphate Synthase of Candida albicans in complex with Ribulose-5-phosphate
分子名称: 3,4-Dihydroxy-2-butanone 4-phosphate Synthase, RIBULOSE-5-PHOSPHATE
著者Echt, S, Bauer, S, Steinbacher, S, Huber, R, Bacher, A, Fischer, M.
登録日2004-06-09
公開日2004-09-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Potential anti-infective targets in pathogenic yeasts: structure and properties of 3,4-dihydroxy-2-butanone 4-phosphate synthase of Candida albicans.
J.Mol.Biol., 341, 2004
1ALL
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ALLOPHYCOCYANIN
分子名称: ALLOPHYCOCYANIN, PHYCOCYANOBILIN
著者Brejc, K, Ficner, R, Huber, R, Steinbacher, S.
登録日1995-03-01
公開日1996-07-11
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Isolation, crystallization, crystal structure analysis and refinement of allophycocyanin from the cyanobacterium Spirulina platensis at 2.3 A resolution.
J.Mol.Biol., 249, 1995
1B9L
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7,8-DIHYDRONEOPTERIN TRIPHOSPHATE EPIMERASE
分子名称: PROTEIN (EPIMERASE)
著者Ploom, T, Haussmann, C, Hof, P, Steinbacher, S, Bacher, A, Richardson, J, Huber, R.
登録日1999-02-11
公開日2000-02-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of 7,8-dihydroneopterin triphosphate epimerase.
Structure Fold.Des., 7, 1999
6H06
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FAB CBTAU-22.1 IN COMPLEX WITH TAU PEPTIDE V1088-5
分子名称: GLYCEROL, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-22.1, HUMAN FAB ANTIBODY FRAGMENT OF HCBTAU-22.1, ...
著者Juraszek, J, Steinbacher, S.
登録日2018-07-06
公開日2018-07-25
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Enhancement of therapeutic potential of a naturally occurring human antibody targeting a phosphorylated Ser422containing epitope on pathological tau.
Acta Neuropathol Commun, 6, 2018

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