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1ZR2
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BU of 1zr2 by Molmil
Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently Linked to two Cleaved DNAs
分子名称: AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ...
著者Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A.
登録日2005-05-18
公開日2005-08-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs.
Science, 309, 2005
1ZR4
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BU of 1zr4 by Molmil
Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently linked to two Cleaved DNAs
分子名称: AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ...
著者Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A.
登録日2005-05-19
公開日2005-08-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs.
Science, 309, 2005
2VYA
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BU of 2vya by Molmil
Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750
分子名称: 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
著者Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C.
登録日2008-07-22
公開日2008-09-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
2PY5
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BU of 2py5 by Molmil
Phi29 DNA polymerase complexed with single-stranded DNA
分子名称: 1,2-ETHANEDIOL, 5'-d(GGACTTT)-3', DNA polymerase
著者Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
登録日2007-05-15
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
2PYJ
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BU of 2pyj by Molmil
Phi29 DNA polymerase complexed with primer-template DNA and incoming nucleotide substrates (ternary complex)
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-d(ACACGTAAGCAGTC)-3', ...
著者Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
登録日2007-05-16
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
2PZS
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BU of 2pzs by Molmil
Phi29 DNA polymerase complexed with primer-template DNA (post-translocation binary complex)
分子名称: 5'-d(CTAACACGTAAGCAGTC)-3', 5'-d(GACTGCTTAC)-3', DNA polymerase
著者Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
登録日2007-05-18
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
2PYL
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BU of 2pyl by Molmil
Phi29 DNA polymerase complexed with primer-template DNA and incoming nucleotide substrates (ternary complex)
分子名称: 1,2-ETHANEDIOL, 5'-d(CTGACGAATGTACA)-3', 5'-d(GACTGCTTAC(2DA))-3', ...
著者Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
登録日2007-05-16
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
3LJ6
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BU of 3lj6 by Molmil
3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845 at 2.42A RESOLUTION
分子名称: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1
著者Mileni, M, Stevens, R.C, Kamtekar, S.
登録日2010-01-25
公開日2010-06-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme inactivation
J.Mol.Biol., 400, 2010
3LJ7
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BU of 3lj7 by Molmil
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with Carbamate inhibitor URB597
分子名称: CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, Fatty-acid amide hydrolase 1
著者Mileni, M, Stevens, R.C, Kamtekar, S.
登録日2010-01-25
公開日2010-06-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme inactivation
J.Mol.Biol., 400, 2010
3GNB
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BU of 3gnb by Molmil
Crystal structure of the RAG1 nonamer-binding domain with DNA
分子名称: 5'-D(*AP*AP*TP*TP*TP*TP*CP*AP*GP*AP*AP*AP*CP*C)-3', 5'-D(*AP*GP*GP*TP*TP*TP*CP*TP*GP*AP*AP*AP*AP*C)-3', V(D)J recombination-activating protein 1
著者Yin, F.F, Bailey, S, Innis, C.A, Steitz, T.A, Schatz, D.G.
登録日2009-03-16
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the RAG1 nonamer binding domain with DNA reveals a dimer that mediates DNA synapsis.
Nat.Struct.Mol.Biol., 16, 2009
3GNA
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BU of 3gna by Molmil
Crystal structure of the RAG1 nonamer-binding domain with DNA
分子名称: 5'-D(*AP*CP*TP*TP*AP*AP*CP*AP*AP*AP*AP*AP*CP*C)-3', 5'-D(*TP*GP*GP*TP*TP*TP*TP*TP*GP*TP*TP*AP*AP*G)-3', V(D)J recombination-activating protein 1
著者Yin, F.F, Bailey, S, Innis, C.A, Steitz, T.A, Schatz, D.G.
登録日2009-03-16
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the RAG1 nonamer binding domain with DNA reveals a dimer that mediates DNA synapsis.
Nat.Struct.Mol.Biol., 16, 2009
5UIS
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BU of 5uis by Molmil
Crystal structure of IRAK4 in complex with compound 12
分子名称: 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIQ
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BU of 5uiq by Molmil
Crystal structure of IRAK4 in complex with compound 9
分子名称: 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIR
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BU of 5uir by Molmil
Crystal structure of IRAK4 in complex with compound 11
分子名称: 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIU
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BU of 5uiu by Molmil
Crystal structure of IRAK4 in complex with compound 30
分子名称: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIT
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BU of 5uit by Molmil
Crystal structure of IRAK4 in complex with compound 14
分子名称: 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5JI2
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BU of 5ji2 by Molmil
HslU L199Q in HslUV complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ...
著者Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
登録日2016-04-21
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.307 Å)
主引用文献A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
2XRG
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BU of 2xrg by Molmil
Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor
分子名称: CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ...
著者Hausmann, J, Albers, H.M.H.G, Perrakis, A.
登録日2010-09-14
公開日2011-01-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis of Substrate Discrimination and Integrin Binding by Autotaxin.
Nat.Struct.Mol.Biol., 18, 2011
5JI3
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BU of 5ji3 by Molmil
HslUV complex
分子名称: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV
著者Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
登録日2016-04-21
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
1YYF
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BU of 1yyf by Molmil
Correction of X-ray Intensities from an HslV-HslU co-crystal containing lattice translocation defects
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent hsl protease ATP-binding subunit hslU, ATP-dependent protease hslV
著者Wang, J, Rho, S.H, Park, H.H, Eom, S.H.
登録日2005-02-24
公開日2005-07-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (4.16 Å)
主引用文献Correction of X-ray intensities from an HslV-HslU co-crystal containing lattice-translocation defects.
Acta Crystallogr.,Sect.D, 61, 2005
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