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6F27
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BU of 6f27 by Molmil
NMR solution structure of non-bound [des-Arg10]-kallidin (DAKD)
分子名称: DAKD
著者Richter, C, Jonker, H.R.A, Schwalbe, H, Joedicke, L, Mao, J, Kuenze, G, Reinhart, C, Kalavacherla, T, Meiler, J, Preu, J, Michel, H, Glaubitz, C.
登録日2017-11-23
公開日2018-01-10
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
6F3Y
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BU of 6f3y by Molmil
Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR
分子名称: Kininogen-1
著者Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C.
登録日2017-11-29
公開日2018-01-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
6F3X
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BU of 6f3x by Molmil
Backbone structure of Des-Arg10-Kallidin (DAKD) peptide in frozen DDM/CHS detergent micelle solution determined by DNP-enhanced MAS SSNMR
分子名称: Kininogen-1
著者Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C.
登録日2017-11-29
公開日2018-01-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
2FHG
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BU of 2fhg by Molmil
Crystal Structure of Mycobacterial Tuberculosis Proteasome
分子名称: 20S proteasome, alpha and beta subunits, proteasome, ...
著者Hu, G, Lin, G, Wang, M, Dick, L, Xu, R.M, Nathan, C, Li, H.
登録日2005-12-23
公開日2006-02-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structure of the Mycobacterium tuberculosis proteasome and mechanism of inhibition by a peptidyl boronate.
Mol.Microbiol., 59, 2006
6F3V
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BU of 6f3v by Molmil
Backbone structure of bradykinin (BK) peptide bound to human Bradykinin 2 Receptor (B2R) determined by MAS SSNMR
分子名称: Bradykinin (BK)
著者Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C.
登録日2017-11-29
公開日2018-01-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
6F3W
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BU of 6f3w by Molmil
Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR
分子名称: Kininogen-1
著者Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C.
登録日2017-11-29
公開日2018-01-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
2FHH
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BU of 2fhh by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with a peptidyl boronate inhibitor MLN-273
分子名称: (1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID, 20S proteasome, alpha and beta subunits, ...
著者Li, H.
登録日2005-12-23
公開日2006-02-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structure of the Mycobacterium tuberculosis proteasome and mechanism of inhibition by a peptidyl boronate.
Mol.Microbiol., 59, 2006
5TR4
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BU of 5tr4 by Molmil
Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243
分子名称: Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
著者Sintchak, M.D.
登録日2016-10-25
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
1R4L
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BU of 1r4l by Molmil
Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
分子名称: (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
登録日2003-10-07
公開日2004-02-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
1R42
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BU of 1r42 by Molmil
Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ...
著者Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
登録日2003-10-07
公開日2004-02-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
1DM2
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BU of 1dm2 by Molmil
HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE
分子名称: 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2
著者Thunnissen, A.M, Kim, S.-H.
登録日1999-12-13
公開日2000-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent.
Chem.Biol., 7, 2000
1CKP
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BU of 1ckp by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B
分子名称: 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B
著者Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H.
登録日1998-07-14
公開日1999-01-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998
2GST
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BU of 2gst by Molmil
STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE
分子名称: GLUTATHIONE S-TRANSFERASE, L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, SULFATE ION
著者Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1993-06-07
公開日1993-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene.
Biochemistry, 33, 1994
3M93
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BU of 3m93 by Molmil
Complex crystal structure of Ascaris suum eIF4E-3 with m7G cap
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, Translation initiation factor 4E
著者Liu, W, Berkeley Structural Genomics Center (BSGC)
登録日2010-03-19
公開日2011-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation.
Nucleic Acids Res., 39, 2011
3M94
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BU of 3m94 by Molmil
Complex crystal structure of Ascaris suum eIF4E-3 with m2,2,7G cap
分子名称: ACETYL GROUP, Eukaryotic translation initiation factor 4E-binding protein 1, N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate), ...
著者Liu, W, Berkeley Structural Genomics Center (BSGC)
登録日2010-03-19
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation.
Nucleic Acids Res., 39, 2011
3GST
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BU of 3gst by Molmil
STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE
分子名称: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION
著者Ji, X, Ammon, H.L, Armstrong, R.N, Gilliland, G.L.
登録日1993-06-07
公開日1993-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene.
Biochemistry, 33, 1994
1PGT
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BU of 1pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
著者Ji, X.
登録日1997-02-17
公開日1997-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
1GSU
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BU of 1gsu by Molmil
AN AVIAN CLASS-MU GLUTATHIONE S-TRANSFERASE, CGSTM1-1 AT 1.94 ANGSTROM RESOLUTION
分子名称: CLASS-MU GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
著者Sun, Y.-J, Kuan, C, Tam, M.F, Hsiao, C.-D.
登録日1997-09-02
公開日1998-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The three-dimensional structure of an avian class-mu glutathione S-transferase, cGSTM1-1 at 1.94 A resolution.
J.Mol.Biol., 278, 1998
1GSQ
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BU of 1gsq by Molmil
THREE-DIMENSIONAL STRUCTURE, CATALYTIC PROPERTIES AND EVOLUTION OF A SIGMA CLASS GLUTATHIONE TRANSFERASE FROM SQUID, A PROGENITOR OF THE LENS-CRYSTALLINS OF CEPHALOPODS
分子名称: GLUTATHIONE S-(2,4 DINITROBENZENE), GLUTATHIONE S-TRANSFERASE
著者Ji, X, Rosenvinge, E.C.V, Armstrong, R.N, Gilliland, G.L.
登録日1995-01-09
公開日1995-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three-dimensional structure, catalytic properties, and evolution of a sigma class glutathione transferase from squid, a progenitor of the lens S-crystallins of cephalopods.
Biochemistry, 34, 1995
6GSY
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BU of 6gsy by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSV
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BU of 6gsv by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSU
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BU of 6gsu by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSW
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BU of 6gsw by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSX
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BU of 6gsx by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GST
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BU of 6gst by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996

 

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