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1BMA
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BU of 1bma by Molmil
BENZYL METHYL AMINIMIDE INHIBITOR COMPLEXED TO PORCINE PANCREATIC ELASTASE
分子名称: (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Peisach, E, Casebier, D, Gallion, S.L, Furth, P, Petsko, G.A, Hogan Jr, J.C, Ringe, D.
登録日1995-05-01
公開日1995-12-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of a peptidomimetic aminimide inhibitor with elastase.
Science, 269, 1995
1TH3
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BU of 1th3 by Molmil
Crystal structure of NADPH depleted bovine live catalase complexed with cyanide
分子名称: CYANIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE
著者Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K.
登録日2004-06-01
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of bovine liver catalase
TO BE PUBLISHED
6GQP
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BU of 6gqp by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23)
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
5AP8
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BU of 5ap8 by Molmil
Structure of the SAM-dependent rRNA:acp-transferase Tsr3 from S. solfataricus
分子名称: TSR3
著者Wurm, J.P, Immer, C, Pogoryelov, D, Meyer, B, Koetter, P, Entian, K.-D, Woehnert, J.
登録日2015-09-14
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Ribosome Biogenesis Factor Tsr3 is the Aminocarboxypropyl Transferase Responsible for 18S Rrna Hypermodification in Yeast and Humans
Nucleic Acids Res., 44, 2016
6GQL
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BU of 6gql by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6MXG
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BU of 6mxg by Molmil
Crystal structure of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltranferase in complex with XMP
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ...
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
1TOX
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BU of 1tox by Molmil
DIPHTHERIA TOXIN DIMER COMPLEXED WITH NAD
分子名称: DIPHTHERIA TOXIN (DIMERIC), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Bell, C.E, Eisenberg, D.
登録日1995-10-06
公開日1996-06-10
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of diphtheria toxin bound to nicotinamide adenine dinucleotide.
Biochemistry, 35, 1996
1VSG
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BU of 1vsg by Molmil
2.9 ANGSTROMS RESOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF A VARIANT SURFACE GLYCOPROTEIN FROM TRYPANOSOMA BRUCEI
分子名称: VARIANT SURFACE GLYCOPROTEIN MITAT 1.2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Freymann, D, Down, J, Wiley, D.C.
登録日1990-10-22
公開日1992-01-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2.9 A resolution structure of the N-terminal domain of a variant surface glycoprotein from Trypanosoma brucei.
J.Mol.Biol., 216, 1990
2Y2A
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BU of 2y2a by Molmil
Structure of segment KLVFFA from the amyloid-beta peptide (Ab, residues 16-21), alternate polymorph I
分子名称: ACETATE ION, AMYLOID BETA A4 PROTEIN
著者Colletier, J, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-14
公開日2011-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
5DZ5
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BU of 5dz5 by Molmil
Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P41212 space group
分子名称: Mambalgin-1
著者Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D.
登録日2015-09-25
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
1T9R
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BU of 1t9r by Molmil
Catalytic Domain Of Human Phosphodiesterase 5A
分子名称: CITRIC ACID, PHOSPHATE ION, ZINC ION, ...
著者Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G.
登録日2004-05-18
公開日2004-08-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
1VL9
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BU of 1vl9 by Molmil
Atomic resolution (0.97A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Sekar, K, Velmurugan, D, Rajakannan, V, Gayathri, D, Poi, M.-J, Tsai, M.-D, Dauter, M, Dauter, Z.
登録日2004-07-15
公開日2004-10-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.F, 61, 2005
1VJ3
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BU of 1vj3 by Molmil
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE.
分子名称: ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G.
登録日2004-01-13
公開日2004-01-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000
1T9S
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BU of 1t9s by Molmil
Catalytic Domain Of Human Phosphodiesterase 5A in Complex with GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ...
著者Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G.
登録日2004-05-18
公開日2004-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
1TBB
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BU of 1tbb by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ...
著者Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G.
登録日2004-05-19
公開日2004-08-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
1CGL
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BU of 1cgl by Molmil
Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor
分子名称: CALCIUM ION, FIBROBLAST COLLAGENASE, N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide, ...
著者Lovejoy, B, Cleasby, A, Hassell, A.M, Longley, K, Luther, M.A, Weigl, D, Mcgeehan, G, Mcelroy, A.B, Drewry, D, Lambert, M.H, Jordan, S.R.
登録日1993-11-17
公開日1995-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor.
Science, 263, 1994
1DTP
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BU of 1dtp by Molmil
THE STRUCTURE OF THE ISOLATED CATALYTIC DOMAIN OF DIPHTHERIA TOXIN
分子名称: ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE, DIPHTHERIA TOXIN
著者Weiss, M.S, Eisenberg, D.
登録日1994-09-08
公開日1994-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the isolated catalytic domain of diphtheria toxin.
Biochemistry, 34, 1995
1TH2
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BU of 1th2 by Molmil
crystal structure of NADPH depleted bovine liver catalase complexed with azide
分子名称: AZIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE
著者Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K.
登録日2004-06-01
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of bovine liver catalase
TO BE PUBLISHED
2Y3L
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BU of 2y3l by Molmil
Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 2
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-21
公開日2011-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
2Y29
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Structure of segment KLVFFA from the amyloid-beta peptide (Ab, residues 16-21), alternate polymorph III
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-14
公開日2011-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
2Y3K
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BU of 2y3k by Molmil
Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 1
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-21
公開日2011-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
2Y3J
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Structure of segment AIIGLM from the amyloid-beta peptide (Ab, residues 30-35)
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-21
公開日2011-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
1QQ9
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STREPTOMYCES GRISEUS AMINOPEPTIDASE COMPLEXED WITH METHIONINE
分子名称: AMINOPEPTIDASE, CALCIUM ION, METHIONINE, ...
著者Gilboa, R, Greenblatt, H.M, Perach, M, Spungin-Bialik, A, Lessel, U, Schomburg, D, Blumberg, S, Shoham, G.
登録日1999-06-12
公開日2000-05-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1EPG
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BU of 1epg by Molmil
THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURES OF MOUSE EPIDERMAL GROWTH FACTOR IN ACIDIC AND PHYSIOLOGICAL PH SOLUTIONS
分子名称: EPIDERMAL GROWTH FACTOR
著者Kohda, D, Inagaki, F.
登録日1992-03-24
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Three-dimensional nuclear magnetic resonance structures of mouse epidermal growth factor in acidic and physiological pH solutions.
Biochemistry, 31, 1992
1EPJ
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BU of 1epj by Molmil
THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURES OF MOUSE EPIDERMAL GROWTH FACTOR IN ACIDIC AND PHYSIOLOGICAL PH SOLUTIONS
分子名称: EPIDERMAL GROWTH FACTOR
著者Kohda, D, Inagaki, F.
登録日1992-03-24
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Three-dimensional nuclear magnetic resonance structures of mouse epidermal growth factor in acidic and physiological pH solutions.
Biochemistry, 31, 1992

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