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3CJF
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BU of 3cjf by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
分子名称: N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
3D0E
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BU of 3d0e by Molmil
Crystal structure of human Akt2 in complex with GSK690693
分子名称: 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Smallwood, A.
登録日2008-05-01
公開日2008-10-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
J.Med.Chem., 51, 2008
3CJG
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BU of 3cjg by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
分子名称: N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
3E88
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BU of 3e88 by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8C
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BU of 3e8c by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-11-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E87
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BU of 3e87 by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8D
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BU of 3e8d by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-11-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
1MO3
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BU of 1mo3 by Molmil
RECA-ADP COMPLEX
分子名称: ADENOSINE-5'-DIPHOSPHATE, RecA
著者Datta, S, Ganesh, N, Chandra, N.R, TB Structural Genomics Consortium (TBSGC)
登録日2002-09-07
公開日2003-02-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural studies on MtRecA-nucleotide complexes: Insights into DNA and nucleotide binding and the structural signature of NTP recognition
Proteins, 50, 2003
1MO5
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BU of 1mo5 by Molmil
RECA-ATP-GAMMA-S-MG COMPLEX
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, RecA
著者Datta, S, Ganesh, N, Chandra, N.R, TB Structural Genomics Consortium (TBSGC)
登録日2002-09-07
公開日2003-02-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural studies on MtRecA-nucleotide complexes: Insights into DNA and nucleotide binding and the structural signature of NTP recognition
Proteins, 50, 2003
1MO4
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BU of 1mo4 by Molmil
RECA-ATP-GAMMA-S COMPLEX
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, RecA
著者Datta, S, Ganesh, N, Chandra, N.R, TB Structural Genomics Consortium (TBSGC)
登録日2002-09-07
公開日2003-02-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural studies on MtRecA-nucleotide complexes: Insights into DNA and nucleotide binding and the structural signature of NTP recognition
Proteins, 50, 2003
1MO6
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BU of 1mo6 by Molmil
RECA-DATP-MG COMPLEX
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, RecA
著者Datta, S, Ganesh, N, Chandra, N.R, TB Structural Genomics Consortium (TBSGC)
登録日2002-09-07
公開日2003-02-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural studies on MtRecA-nucleotide complexes: Insights into DNA and nucleotide binding and the structural signature of NTP recognition
Proteins, 50, 2003
1QPW
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BU of 1qpw by Molmil
CRYSTAL STRUCTURE DETERMINATION OF PORCINE HEMOGLOBIN AT 1.8A RESOLUTION
分子名称: OXYGEN MOLECULE, PORCINE HEMOGLOBIN (ALPHA SUBUNIT), PORCINE HEMOGLOBIN (BETA SUBUNIT), ...
著者Lu, T.-H, Panneerselvam, K, Liaw, Y.-C, Kan, P, Lee, C.-J.
登録日1999-05-30
公開日1999-06-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure determination of porcine haemoglobin.
Acta Crystallogr.,Sect.D, 56, 2000
1SV3
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BU of 1sv3 by Molmil
Structure of the complex formed between Phospholipase A2 and 4-methoxybenzoic acid at 1.3A resolution.
分子名称: 4-METHOXYBENZOIC ACID, Phospholipase A2, SULFATE ION
著者Singh, N, Prahathees, E, Jabeen, T, Pal, A, Ethayathulla, A.S, Prem kumar, R, Sharma, S, Singh, T.P.
登録日2004-03-27
公開日2004-04-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structures of the complexes of a group IIA phospholipase A2 with two natural anti-inflammatory agents, anisic acid, and atropine reveal a similar mode of binding
Proteins, 64, 2006
1HHX
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BU of 1hhx by Molmil
Solution structure of LNA3:RNA hybrid
分子名称: 5- D(*CP*+TP*GP*AP*+TP*AP*+TP*GP*C) -3, 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3
著者Petersen, M, Bondensgaard, K, Wengel, J, Jacobsen, J.P.
登録日2000-12-29
公開日2002-05-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Locked Nucleic Acid (Lna) Recognition of RNA: NMR Solution Structures of Lna:RNA Hybrids
J.Am.Chem.Soc., 124, 2002
2GGM
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BU of 2ggm by Molmil
Human centrin 2 xeroderma pigmentosum group C protein complex
分子名称: CALCIUM ION, Centrin-2, DNA-repair protein complementing XP-C cells
著者Thompson, J.R.
登録日2006-03-24
公開日2006-04-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structure of the human centrin 2-xeroderma pigmentosum group C protein complex.
J.Biol.Chem., 281, 2006
2FB8
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BU of 2fb8 by Molmil
Structure of the B-Raf kinase domain bound to SB-590885
分子名称: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase
著者Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J.
登録日2005-12-08
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885.
Cancer Res., 66, 2006
2PMQ
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BU of 2pmq by Molmil
Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
著者Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-04-23
公開日2007-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
2OBH
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BU of 2obh by Molmil
Centrin-XPC peptide
分子名称: CALCIUM ION, Centrin-2, DNA-repair protein complementing XP-C cells
著者Charbonnier, J.B.
登録日2006-12-19
公開日2007-10-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural, thermodynamic, and cellular characterization of human centrin 2 interaction with xeroderma pigmentosum group C protein.
J.Mol.Biol., 373, 2007
9NK9
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BU of 9nk9 by Molmil
Nano-body peptide complex
分子名称: Nanobody, SER-PHE-GLU-ASP-PHE-TRP-LYS-GLY-GLU-ASP
著者Zhao, G, Cheloha, R.W, Bewley, C.A.
登録日2025-02-28
公開日2025-05-28
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evaluation of AlphaFold modeling for elucidation of nanobody-peptide epitope interactions.
J.Biol.Chem., 301, 2025
8VB0
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BU of 8vb0 by Molmil
Asymmetric unit of bacteriophage PhiM1 mature capsid
分子名称: Alpha-claw decoration protein (gp44), Alpha-paw decoration protein (gp43), Major capsid protein (gp38)
著者Eruera, A, Hodgkinson-Bean, J.
登録日2023-12-11
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Ejectosome of Pectobacterium bacteriophage Phi M1.
Pnas Nexus, 3, 2024
8VBX
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BU of 8vbx by Molmil
C6 nozzle and fibre complex of the mature bacteriophage PhiM1 particle
分子名称: Tail fiber (gp47), Tail nozzle (gp51)
著者Hodgkinson-Bean, J, Eruera, A.
登録日2023-12-12
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Ejectosome of Pectobacterium bacteriophage Phi M1.
Pnas Nexus, 3, 2024
8VB4
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BU of 8vb4 by Molmil
C12 portal and adaptor complex of the mature bacteriophage PhiM1 particle
分子名称: Adaptor protein (gp52), Portal protein (gp35)
著者Hodgkinson-Bean, J, Eruera, A.
登録日2023-12-12
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Ejectosome of Pectobacterium bacteriophage Phi M1.
Pnas Nexus, 3, 2024
8VB2
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BU of 8vb2 by Molmil
C4 pre-infection ejectosome of the mature bacteriophage PhiM1 particle
分子名称: Ejection protein 3 (gp50), Octameric ejection protein (gp49), Tetrameric ejection protein (gp48)
著者Hodgkinson-Bean, J, Eruera, A.
登録日2023-12-11
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Ejectosome of Pectobacterium bacteriophage Phi M1.
Pnas Nexus, 3, 2024
6RCO
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BU of 6rco by Molmil
PfRH5-binding monoclonal antibody R5.004
分子名称: ACETATE ION, GLYCEROL, R5.004 heavy chain, ...
著者Alanine, D.G.W, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019

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件を2025-07-09に公開中

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