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3GJR
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Caspase-3 Binds Diverse P4 Residues in Peptides
分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ...
著者Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
登録日2009-03-09
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
2VQV
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BU of 2vqv by Molmil
Structure of HDAC4 catalytic domain with a gain-of-function mutation bound to a hydroxamic acid inhibitor
分子名称: HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ...
著者Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
登録日2008-03-19
公開日2008-07-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
3BOR
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Crystal structure of the DEADc domain of human translation initiation factor 4A-2
分子名称: Human initiation factor 4A-II
著者Dimov, S, Hong, B, Tempel, W, MacKenzie, F, Karlberg, T, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2007-12-17
公開日2008-01-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
2VWZ
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BU of 2vwz by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-30
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VX1
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ephB4 kinase domain inhibitor complex
分子名称: 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE, EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-30
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VUK
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BU of 2vuk by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083
分子名称: 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Boeckler, F.M, Fersht, A.R.
登録日2008-05-26
公開日2008-07-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Targeted Rescue of a Destabilized Mutant of P53 by an in Silico Screened Drug.
Proc.Natl.Acad.Sci.USA, 105, 2008
3C05
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Crystal structure of Acostatin from Agkistrodon Contortrix Contortrix
分子名称: Disintegrin acostatin alpha, Disintegrin acostatin-beta, SULFATE ION
著者Moiseeva, N, Bau, R, Allaire, M.
登録日2008-01-18
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of acostatin, a dimeric disintegrin from southern copperhead (Agkistrodon contortrix contortrix) at 1.7 A resolution
Acta Crystallogr.,Sect.D, 64, 2008
3BT1
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BU of 3bt1 by Molmil
Structure of urokinase receptor, urokinase and vitronectin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator, ...
著者Huang, M.
登録日2007-12-27
公開日2008-03-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
3BU5
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Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB peptide and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Insulin receptor substrate 2, MAGNESIUM ION, ...
著者Wu, J, Hubbard, S.R.
登録日2007-12-31
公開日2008-02-19
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical characterization of the KRLB region in insulin receptor substrate-2.
Nat.Struct.Mol.Biol., 15, 2008
3C0Y
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Crystal structure of catalytic domain of human histone deacetylase HDAC7
分子名称: Histone deacetylase 7a, POTASSIUM ION, ZINC ION
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Loppnau, P, Kwiatkowski, N.P, Mazitschek, R, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2008-01-21
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
3C64
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The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1)
分子名称: CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL
著者Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N.
登録日2008-02-02
公開日2008-09-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
3GW5
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BU of 3gw5 by Molmil
Crystal structure of human renin complexed with a novel inhibitor
分子名称: (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, Z, McKeever, B.M.
登録日2009-03-31
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.
Bioorg.Med.Chem.Lett., 19, 2009
3BZ8
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BU of 3bz8 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
2VUE
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BU of 2vue by Molmil
Human serum albumin complexed with 4Z,15E-bilirubin-IX-alpha
分子名称: BILIVERDINE IX ALPHA, SERUM ALBUMIN
著者Zunszain, P.A, Ghuman, J, Curry, S.
登録日2008-05-24
公開日2008-06-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystallographic Analysis of Human Serum Albumin Complexed with 4Z,15E-Bilirubin-Ixalpha.
J.Mol.Biol., 381, 2008
2VV0
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hPPARgamma Ligand binding domain in complex with DHA
分子名称: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-06-02
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
2VUM
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Alpha-amanitin inhibited complete RNA polymerase II elongation complex
分子名称: 5'-D(*AP*AP*AP*CP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *GP*TP*TP*AP*CP*GP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*AP*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ...
著者Brueckner, F, Cramer, P.
登録日2008-05-27
公開日2008-06-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Basis of Transcription Inhibition by Alpha-Amanitin and Implications for RNA Polymerase II Translocation.
Nat.Struct.Mol.Biol., 15, 2008
3BK3
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Crystal structure of the complex of BMP-2 and the first Von Willebrand domain type C of Crossveinless-2
分子名称: Bone morphogenetic protein 2, Crossveinless 2
著者Mueller, T.D, Sebald, W, Zhang, J.-L.
登録日2007-12-05
公開日2008-05-27
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure analysis reveals how the Chordin family member crossveinless 2 blocks BMP-2 receptor binding
Dev.Cell, 14, 2008
2VWU
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ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Rowsell, S, Packer, M, McAlister, M.
登録日2008-06-27
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
3GY4
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A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY5
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A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3BL0
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Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Temperini, C, Supuran, C.T, Blackburn, G.M.
登録日2007-12-10
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of 2-N,N-dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
3BLA
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BU of 3bla by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG153249
分子名称: 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
著者Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-12-10
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
2W0Z
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Grb2 SH3C (3)
分子名称: GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
著者Harkiolaki, M, Tsirka, T, Feller, S.M.
登録日2008-10-13
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
2VV3
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hPPARgamma Ligand binding domain in complex with 4-oxoDHA
分子名称: (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-06-02
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids.
Nat.Struct.Mol.Biol., 15, 2008
3BLH
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Crystal Structure of Human CDK9/cyclinT1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1
著者Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
登録日2007-12-11
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008

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