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PDB: 86 件

488D
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CATALYTIC RNA ENZYME-PRODUCT COMPLEX
分子名称: CADMIUM ION, FIRST RNA FRAGMENT OF CLEAVED SUBSTRATE, RNA RIBOZYME STRAND, ...
著者Murray, J.B, Szoke, H, Szoke, A, Scott, W.G.
登録日2000-02-25
公開日2000-03-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Capture and visualization of a catalytic RNA enzyme-product complex using crystal lattice trapping and X-ray holographic reconstruction.
Mol.Cell, 5, 2000
379D
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THE STRUCTURAL BASIS OF HAMMERHEAD RIBOZYME SELF-CLEAVAGE
分子名称: COBALT (II) ION, RNA (5'-R(*GP*GP*CP*CP*GP*AP*AP*AP*CP*UP*CP*GP*UP*AP*AP*GP*A P*GP*UP*CP*AP*CP*CP*AP*C)-3'), RNA (5'-R(*GP*UP*GP*GP*UP*CP*UP*GP*AP*UP*GP*AP*GP*GP*CP*C)-3')
著者Murray, J.B, Terwey, D.P, Maloney, L, Karpeisky, A, Usman, N, Beigelman, L, Scott, W.G.
登録日1998-02-05
公開日1998-02-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis of hammerhead ribozyme self-cleavage.
Cell(Cambridge,Mass.), 92, 1998
2F4S
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A-site RNA in complex with neamine
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, 5'-R(P*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Murray, J.B, Meroueh, S.O, Russell, R.J, Lentzen, G, Haddad, J, Mobashery, S.
登録日2005-11-24
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site
Chem.Biol., 13, 2006
2F4U
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Asite RNA + designer antibiotic
分子名称: (2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-{2-[(3-AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)-2-HYDROXYBUTANAMIDE, 5'-R(*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Murray, J.B, Meroueh, S.O, Russell, R.J, Lentzen, G, Haddad, J, Mobashery, S.
登録日2005-11-24
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site
Chem.Biol., 13, 2006
2F4V
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30S ribosome + designer antibiotic
分子名称: (2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE, (2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE, 16S ribosomal RNA, ...
著者Murray, J.B, Meroueh, S.O, Russell, R.J, Lentzen, G, Haddad, J, Mobashery, S.
登録日2005-11-24
公開日2006-07-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Interactions of designer antibiotics and the bacterial ribosome aminoacyl-tRNA site
Chem.Biol., 13, 2006
2F4T
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Asite RNA + designer antibiotic
分子名称: (2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE, 5'-R(*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3', 5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Murray, J.B, Meroueh, S.O, Russell, R.J, Lentzen, G, Haddad, J, Mobashery, S.
登録日2005-11-24
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site
Chem.Biol., 13, 2006
299D
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CAPTURING THE STRUCTURE OF A CATALYTIC RNA INTERMEDIATE: THE HAMMERHEAD RIBOZYME
分子名称: RNA HAMMERHEAD RIBOZYME
著者Scott, W.G, Murray, J.B, Arnold, J.R.P, Stoddard, B.L, Klug, A.
登録日1996-12-14
公開日1997-01-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Capturing the structure of a catalytic RNA intermediate: the hammerhead ribozyme.
Science, 274, 1996
3KAG
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Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
分子名称: 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
登録日2009-10-19
公開日2009-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KCE
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Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
分子名称: 5-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
登録日2009-10-21
公開日2009-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
6MSF
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F6 APTAMER MS2 COAT PROTEIN COMPLEX
分子名称: PROTEIN (MS2 PROTEIN CAPSID), RNA (5'-R(*CP*AP*GP*UP*CP*AP*CP*UP*GP*G)-3'), RNA (5'-R(*CP*CP*AP*CP*AP*GP*UP*CP*AP*CP*UP*GP*GP*G)-3')
著者Convery, M.A, Rowsell, S, Stonehouse, N.J, Ellington, A.D, Hirao, I, Murray, J.B, Peabody, D.S, Phillips, S.E.V, Stockley, P.G.
登録日1998-01-06
公開日1998-07-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of an RNA aptamer-protein complex at 2.8 A resolution.
Nat.Struct.Biol., 5, 1998
4P20
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Crystal structures of the bacterial ribosomal decoding site complexed with amikacin
分子名称: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, 5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Kondo, J, Francois, B, Russell, R.J.M, Murray, J.B, Westhof, E.
登録日2014-02-28
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the bacterial ribosomal decoding site complexed with amikacin containing the gamma-amino-alpha-hydroxybutyryl (haba) group.
Biochimie, 88, 2006
5OP4
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Structure of CHK1 10-pt. mutant complex with aminopyrimidine LRRK2 inhibitor
分子名称: Serine/threonine-protein kinase Chk1, [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPS
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Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor
分子名称: 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OOR
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Structure of CHK1 10-pt. mutant complex with staurosporine
分子名称: CHLORIDE ION, STAUROSPORINE, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ7
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Structure of CHK1 8-pt. mutant complex with arylbenzamide LRRK2 inhibitor
分子名称: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPV
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Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor
分子名称: 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ5
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Structure of CHK1 8-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPR
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Structure of CHK1 10-pt. mutant complex with aminopyridine LRRK2 inhibitor
分子名称: 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OP7
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Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor
分子名称: CHLORIDE ION, SODIUM ION, Serine/threonine-protein kinase Chk1, ...
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OOP
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Structure of CHK1 10-pt. mutant complex with AMP-PNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OP5
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Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor
分子名称: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ6
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Structure of CHK1 12-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
分子名称: 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPB
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Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor
分子名称: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ8
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Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor
分子名称: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OOT
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Structure of CHK1 10-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
分子名称: 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017

 

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