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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
Descriptor: CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, Fatty-acid amide hydrolase 1
Authors:Mileni, M, Stevens, R.C, Kamtekar, S.
Deposit date:2010-01-25
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
1ZR4
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BU of 1zr4 by Molmil
Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently linked to two Cleaved DNAs
Descriptor: AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ...
Authors:Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A.
Deposit date:2005-05-19
Release date:2005-08-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs.
Science, 309, 2005
1ZR2
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BU of 1zr2 by Molmil
Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently Linked to two Cleaved DNAs
Descriptor: AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ...
Authors:Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A.
Deposit date:2005-05-18
Release date:2005-08-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite: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
Descriptor: 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
Authors: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.
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
2PZS
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BU of 2pzs by Molmil
Phi29 DNA polymerase complexed with primer-template DNA (post-translocation binary complex)
Descriptor: 5'-d(CTAACACGTAAGCAGTC)-3', 5'-d(GACTGCTTAC)-3', DNA polymerase
Authors:Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2007-05-18
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
2PY5
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BU of 2py5 by Molmil
Phi29 DNA polymerase complexed with single-stranded DNA
Descriptor: 1,2-ETHANEDIOL, 5'-d(GGACTTT)-3', DNA polymerase
Authors:Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2007-05-15
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 5'-d(CTGACGAATGTACA)-3', 5'-d(GACTGCTTAC(2DA))-3', ...
Authors:Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2007-05-16
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-d(ACACGTAAGCAGTC)-3', ...
Authors:Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2007-05-16
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1
Authors:Mileni, M, Stevens, R.C, Kamtekar, S.
Deposit date:2010-01-25
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite: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
5UIS
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BU of 5uis by Molmil
Crystal structure of IRAK4 in complex with compound 12
Descriptor: 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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
Descriptor: 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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
Descriptor: 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.02 Å)
Cite: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
2XRG
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BU of 2xrg by Molmil
Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor
Descriptor: CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ...
Authors:Hausmann, J, Albers, H.M.H.G, Perrakis, A.
Deposit date:2010-09-14
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis of Substrate Discrimination and Integrin Binding by Autotaxin.
Nat.Struct.Mol.Biol., 18, 2011
3GNA
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BU of 3gna by Molmil
Crystal structure of the RAG1 nonamer-binding domain with DNA
Descriptor: 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
Authors:Yin, F.F, Bailey, S, Innis, C.A, Steitz, T.A, Schatz, D.G.
Deposit date:2009-03-16
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the RAG1 nonamer binding domain with DNA reveals a dimer that mediates DNA synapsis.
Nat.Struct.Mol.Biol., 16, 2009
3GNB
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BU of 3gnb by Molmil
Crystal structure of the RAG1 nonamer-binding domain with DNA
Descriptor: 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
Authors:Yin, F.F, Bailey, S, Innis, C.A, Steitz, T.A, Schatz, D.G.
Deposit date:2009-03-16
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the RAG1 nonamer binding domain with DNA reveals a dimer that mediates DNA synapsis.
Nat.Struct.Mol.Biol., 16, 2009
5JI3
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BU of 5ji3 by Molmil
HslUV complex
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV
Authors:Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
Deposit date:2016-04-21
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
5JI2
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BU of 5ji2 by Molmil
HslU L199Q in HslUV complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ...
Authors:Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
Deposit date:2016-04-21
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.307 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent hsl protease ATP-binding subunit hslU, ATP-dependent protease hslV
Authors:Wang, J, Rho, S.H, Park, H.H, Eom, S.H.
Deposit date:2005-02-24
Release date:2005-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (4.16 Å)
Cite: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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