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2K0N
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BU of 2k0n by Molmil
Solution Structure of Yeast Gal11p kix domain
分子名称: Mediator of RNA polymerase II transcription subunit 15
著者Arthanari, H, Frueh, D.P, Wagner, G.K, Naar, A.M.
登録日2008-02-04
公開日2008-03-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A nuclear receptor-like pathway regulating multidrug resistance in fungi.
Nature, 452, 2008
2KLV
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BU of 2klv by Molmil
Membrane-bound structure of the Pf1 major coat protein in DHPC micelle
分子名称: Capsid protein G8P
著者Park, S, Son, W, Mukhopadhyay, R, Valafar, H, Opella, S.J.
登録日2009-07-08
公開日2009-10-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Phage-induced alignment of membrane proteins enables the measurement and structural analysis of residual dipolar couplings with dipolar waves and lambda-maps.
J.Am.Chem.Soc., 131, 2009
2KPH
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BU of 2kph by Molmil
NMR Structure of AtraPBP1 at pH 4.5
分子名称: Pheromone binding protein
著者Ames, J.
登録日2009-10-15
公開日2010-02-02
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献NMR Structure of Navel Orangeworm Moth Pheromone-Binding Protein (AtraPBP1): Implications for pH-Sensitive Pheromone Detection .
Biochemistry, 49, 2010
2K6P
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BU of 2k6p by Molmil
Solution Structure of hypothetical protein, HP1423
分子名称: Uncharacterized protein HP_1423
著者Kim, J, Park, S, Lee, K, Son, W, Sohn, N, Lee, B.
登録日2008-07-15
公開日2009-06-16
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of hypothetical protein HP1423 (Y1423_HELPY) reveals the presence of alphaL motif related to RNA binding
Proteins, 75, 2009
2LJ2
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BU of 2lj2 by Molmil
Integral membrane core domain of the mercury transporter MerF in lipid bilayer membranes
分子名称: MerF
著者Das, B.B, Nothnagel, H.J, Lu, G.J, Son, W, Park, S, Tian, Y.B, Marassi, F.M, Opella, S.J.
登録日2011-09-03
公開日2012-01-18
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure determination of a membrane protein in proteoliposomes.
J.Am.Chem.Soc., 134, 2012
4BTF
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BU of 4btf by Molmil
Structure of MLKL
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN
著者Czabotar, P.E, Murphy, J.M.
登録日2013-06-16
公開日2013-09-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献The Pseudokinase Mlkl Mediates Necroptosis Via a Molecular Switch Mechanism
Immunity, 39, 2013
8DIJ
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BU of 8dij by Molmil
NMR Structure of Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35
分子名称: Immunoglobulin G-binding protein G
著者Rao, S.R, Reinert, Z.E.
登録日2022-06-29
公開日2022-11-23
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Chemical Shifts of Artificial Monomers Used to Construct Heterogeneous-Backbone Protein Mimetics in Random Coil and Folded States.
Pept Sci (Hoboken), 115, 2023
8D10
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BU of 8d10 by Molmil
Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine
分子名称: 1-(1-methyl-1H-pyrazol-5-yl)methanamine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-26
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CXD
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BU of 8cxd by Molmil
Crystal Structure of EcDsbA in a complex with phenylmethanol
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, phenylmethanol
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-20
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CXE
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BU of 8cxe by Molmil
Crystal Structure of EcDsbA in a complex with 1H-imidazole
分子名称: IMIDAZOLE, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-20
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CZM
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BU of 8czm by Molmil
Crystal Structure of EcDsbA in a complex with 4-bromo-1H-pyrazole
分子名称: 4-bromo-1H-pyrazole, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-25
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CZN
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BU of 8czn by Molmil
Crystal Structure of EcDsbA in a complex with 1H-pyrrole-3-carboxylic acid
分子名称: 1H-pyrrole-3-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-25
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8DG1
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BU of 8dg1 by Molmil
Crystal Structure of EcDsbA in a complex with DMSO
分子名称: COPPER (II) ION, DIMETHYL SULFOXIDE, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-06-23
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D12
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BU of 8d12 by Molmil
Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-4-amine
分子名称: 1-methyl-1H-pyrazol-4-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-26
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D11
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BU of 8d11 by Molmil
Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-5-amine
分子名称: 1-methyl-1H-pyrazol-5-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-26
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8DG2
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BU of 8dg2 by Molmil
Crystal Structure of EcDsbA in a complex with DMSO
分子名称: COPPER (II) ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-06-23
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8DG0
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BU of 8dg0 by Molmil
Crystal Structure of EcDsbA in a complex with Urea
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, UREA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-06-23
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8ER6
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BU of 8er6 by Molmil
FKBP12-FRB in Complex with Compound 11
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER7
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BU of 8er7 by Molmil
FKBP12-FRB in Complex with Compound 12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ERA
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BU of 8era by Molmil
RMC-5552 in complex with mTORC1 and FKBP12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
4DNN
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BU of 4dnn by Molmil
Crystal structure of the Quaking Qua1 homodimerization domain
分子名称: CALCIUM ION, Protein quaking
著者Beuck, C, Qu, S, Williamson, J.R.
登録日2012-02-08
公開日2012-09-12
最終更新日2012-10-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis of the Quaking Homodimerization Interface.
J.Mol.Biol., 423, 2012
4DPZ
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BU of 4dpz by Molmil
Crystal structure of human HRASLS2
分子名称: HRAS-like suppressor 2
著者Kiser, P.D, Golczak, M, Sears, A.E, Lodowski, D.T, Palczewski, K.
登録日2012-02-14
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Basis for the Acyltransferase Activity of Lecithin:Retinol Acyltransferase-like Proteins.
J.Biol.Chem., 287, 2012
4DOT
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BU of 4dot by Molmil
Crystal structure of human HRASLS3.
分子名称: Group XVI phospholipase A2
著者Kiser, P.D, Golczak, M, Sears, A.E, Lodowski, D.T, Palczewski, K.
登録日2012-02-10
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Basis for the Acyltransferase Activity of Lecithin:Retinol Acyltransferase-like Proteins.
J.Biol.Chem., 287, 2012
4EHZ
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BU of 4ehz by Molmil
The Jak1 kinase domain in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4EI4
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BU of 4ei4 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 20
分子名称: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012

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