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2P1I
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BU of 2p1i by Molmil
Plasmodium yoelii Ribonucleotide Reductase Subunit R2 (PY03671)
分子名称: FE (III) ION, Ribonucleotide reductase, small chain
著者Wernimont, A.K, Dong, A, Choe, J, Gao, M, Walker, J, Lew, J, Alam, Z, Zhao, Y, Nordlund, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2007-03-05
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Plasmodium yoelii Ribonucleotide Reductase Subunit R2 (PY03671)
To be Published
5K2S
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BU of 5k2s by Molmil
Lysozyme with nano particles
分子名称: Lysozyme C
著者Ko, S, Choe, J.
登録日2016-05-19
公開日2017-05-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of lysozyme with nano particles
To Be Published
5K2K
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BU of 5k2k by Molmil
Crystal structure of lysozyme
分子名称: Lysozyme C
著者Ko, S, Choe, J.
登録日2016-05-19
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of lysozyme
To Be Published
5K2Q
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BU of 5k2q by Molmil
Lysozyme with nano particles
分子名称: Lysozyme C
著者Ko, S, Choe, J.
登録日2016-05-19
公開日2017-05-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of lysozyme with nano particle
To Be Published
5K2R
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BU of 5k2r by Molmil
Crystal structure of lysozyme
分子名称: Lysozyme C
著者Ko, S, Choe, J.
登録日2016-05-19
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of lysozyme with nano particles
To Be Published
5K2N
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BU of 5k2n by Molmil
lysozyme with nano particles
分子名称: Lysozyme C
著者Ko, S, Choe, J.
登録日2016-05-19
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Lysozyme
To Be Published
5K2P
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BU of 5k2p by Molmil
Crystal structure of lysozyme
分子名称: Lysozyme C
著者Ko, S, Choe, J.
登録日2016-05-19
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of lysozyme
To Be Published
3KCY
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BU of 3kcy by Molmil
Factor inhibiting HIF-1 alpha in complex with 8-hydroxyquinoline
分子名称: FE (II) ION, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Moon, H, Han, S, Choe, J.
登録日2009-10-22
公開日2010-04-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
3KCX
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BU of 3kcx by Molmil
Factor inhibiting HIF-1 alpha in complex with Clioquinol
分子名称: 5-chloro-7-iodoquinolin-8-ol, FE (II) ION, GLYCEROL, ...
著者Moon, H, Han, S, Choe, J.
登録日2009-10-22
公開日2010-04-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
2R9U
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BU of 2r9u by Molmil
Crystal Structure of Lamprey Variable Lymphocyte Receptor 2913 Ectodomain
分子名称: Variable lymphocyte receptor
著者Han, B.W, Herrin, B.R, Choe, J, Cooper, M.D, Wilson, I.A.
登録日2007-09-13
公開日2009-03-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Lamprey Variable Lymphocyte Receptor 2913 Ectodomain.
To be Published
4K5C
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BU of 4k5c by Molmil
From DARPins to LoopDARPins: Novel LoopDARPin Design Allows the Selection of Low Picomolar Binders in a Single Round of Ribosome Display
分子名称: Loop Designed Ankyrin Repeat Protein Nran1_G06_C
著者Schilling, J, Schoeppe, J, Plueckthun, A.
登録日2013-04-14
公開日2013-11-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From DARPins to LoopDARPins: novel LoopDARPin design allows the selection of low picomolar binders in a single round of ribosome display
J.Mol.Biol., 426, 2014
6X9H
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BU of 6x9h by Molmil
Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1)
分子名称: 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ...
著者Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M.
登録日2020-06-02
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Commun Biol, 4, 2021
4FCR
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BU of 4fcr by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCQ
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Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCP
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BU of 4fcp by Molmil
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
著者Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
3G7M
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BU of 3g7m by Molmil
Structure of the thaumatin-like xylanase inhibitor TLXI
分子名称: GLYCEROL, SODIUM ION, Xylanase inhibitor TL-XI
著者Vandermarliere, E, Courtin, C.M, Lammens, W, Schoepe, J, Strelkov, S.V.
登録日2009-02-10
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of the noncompetitive xylanase inhibitor TLXI, member of the small thaumatin-like protein family.
Proteins, 78, 2010
2WI6
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BU of 2wi6 by Molmil
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI1
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BU of 2wi1 by Molmil
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI5
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI2
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI3
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ...
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI7
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI4
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2Y2W
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Elucidation of the substrate specificity and protein structure of AbfB, a family 51 alpha-L-arabinofuranosidase from Bifidobacterium longum.
分子名称: ARABINOFURANOSIDASE
著者Lagaert, S, Schoepe, J, Delcour, J.A, Lavigne, R, Strelkov, S.V, Courtin, C.M, Mikkelsen, N.E, Sandgren, M, Volckaert, G.
登録日2010-12-16
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Elucidation of the Substrate Specificity and Protein Structure of Abfb, a Family 51 Alpha-L- Arabinofuranosidase from Bifidobacterium Longum.
To be Published
4LDS
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BU of 4lds by Molmil
The inward-facing structure of the glucose transporter from Staphylococcus epidermidis
分子名称: Glucose transporter GlcP
著者Choe, J, Aleshin, A, Iancu, C.V.
登録日2013-06-25
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a glucose/H+ symporter and its mechanism of action.
Proc.Natl.Acad.Sci.USA, 110, 2013

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