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PDB: 142 件
2AX6
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Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex With Hydroxyflutamide
分子名称: Androgen receptor, HYDROXYFLUTAMIDE
著者Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
登録日2005-09-03
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
2AQ7
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Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli
分子名称: (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I
著者Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J.
登録日2005-08-17
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
2AX9
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Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With R-3
分子名称: (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, Androgen receptor
著者Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
登録日2005-09-03
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
2AX8
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Crystal Structure Of The Androgen Receptor Ligand Binding Domain W741L Mutant In Complex With S-1
分子名称: Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
著者Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
登録日2005-09-03
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
5D69
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Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-iodoindol-3-yl)acrylic acid) bound
分子名称: (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid], CALCIUM ION, Calpain small subunit 1, ...
著者Adams, S.E, Robinson, E.J, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K.
登録日2015-08-11
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
2AQB
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Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli
分子名称: (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I
著者Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J.
登録日2005-08-17
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
2BAS
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BU of 2bas by Molmil
Crystal Structure of the Bacillus subtilis YkuI Protein, with an EAL Domain.
分子名称: BETA-MERCAPTOETHANOL, YkuI protein
著者Minasov, G, Brunzelle, J.S, Shuvalova, L, Miller, D.J, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2005-10-14
公開日2005-11-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structures of YkuI and its complex with second messenger cyclic Di-GMP suggest catalytic mechanism of phosphodiester bond cleavage by EAL domains.
J.Biol.Chem., 284, 2009
3U3F
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BU of 3u3f by Molmil
Structural basis for the interaction of Pyk2 PAT domain with paxillin LD motifs
分子名称: Paxillin LD2 peptide, Protein-tyrosine kinase 2-beta
著者Vanarotti, M, Miller, D.J, Guibao, C.C, Zheng, J.J.
登録日2011-10-05
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs.
J.Mol.Biol., 426, 2014
7LAD
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BU of 7lad by Molmil
Clobetasol propionate bound to CYP3A5
分子名称: Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE
著者Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T.
登録日2021-01-06
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
5UTO
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BU of 5uto by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstrom resolution
分子名称: EDD domain protein, DegV family, PALMITIC ACID
著者Cuypers, M.G, Ericson, M, Subramanian, C, Broussard, T.C, Miller, D.J, White, S.W, Rock, C.O.
登録日2017-02-15
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
4R32
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Crystal Structure Analysis of Pyk2 and Paxillin LD motifs
分子名称: Paxillin, Protein-tyrosine kinase 2-beta
著者Vanarotti, M, Miller, D.J, Guibao, C.D, Nourse, A, Zheng, J.J.
登録日2014-08-13
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.505 Å)
主引用文献Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs.
J.Mol.Biol., 426, 2014
3H9G
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BU of 3h9g by Molmil
Crystal structure of E. coli MccB + MccA-N7isoASN
分子名称: MccB protein, Microcin C7 analog, SULFATE ION, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-30
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3H9J
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Crystal structure of E. coli MccB + AMPCPP + SeMeT MccA
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MccB protein, Microcin C7 ANALOG, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-30
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3HSV
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BU of 3hsv by Molmil
Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATHx-MacroH2ASBCpep2
分子名称: Core histone macro-H2A.1, SULFATE ION, Speckle-type POZ protein, ...
著者Zhuang, M, Schulman, B.A, Miller, D.
登録日2009-06-10
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structures of SPOP-substrate complexes: insights into molecular architectures of BTB-Cul3 ubiquitin ligases.
Mol.Cell, 36, 2009
4PHM
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BU of 4phm by Molmil
The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids
分子名称: 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid, CALCIUM ION, Calpain small subunit 1
著者Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B.
登録日2014-05-06
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
4PHK
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The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids. The complex with (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid
分子名称: (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid, CALCIUM ION, Calpain small subunit 1
著者Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B, Robinson, E.
登録日2014-05-06
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
3QRI
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The crystal structure of human abl1 kinase domain in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRJ
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The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
4PHN
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BU of 4phn by Molmil
The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids
分子名称: CALCIUM ION, Calpain small subunit 1
著者Allemann, R.K, Rizkallah, P.J, Adams, S.E, Miller, D.J, Hallett, M.B.
登録日2014-05-06
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
3QRK
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The crystal structure of human abl1 kinase domain in complex with DP-987
分子名称: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
4PHJ
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BU of 4phj by Molmil
The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids: Human unliganded protein
分子名称: CALCIUM ION, Calpain small subunit 1
著者Adams, S.E, Rizkallah, P.J, Allemann, R.K, Miller, D.J, Hallett, M.B, Robinson, E.
登録日2014-05-06
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
3RLJ
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22
分子名称: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
登録日2011-04-19
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
3H5A
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BU of 3h5a by Molmil
Crystal structure of E. coli MccB
分子名称: MccB protein, ZINC ION
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-21
公開日2009-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3H9Q
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Crystal structure of E. coli MccB + SeMet MccA
分子名称: MccB protein, Microcin C7 ANALOG, SULFATE ION, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-30
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
4RG7
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BU of 4rg7 by Molmil
Crystal structure of APC3
分子名称: Cell division cycle protein 27 homolog
著者Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A.
登録日2014-09-29
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.25 Å)
主引用文献Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015

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