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4M2O
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BU of 4m2o by Molmil
Crystal structure of a non-myristoylated C39A recoverin mutant with one calcium ion bound to EF-hand 3
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2013-08-05
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
4M2P
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BU of 4m2p by Molmil
Crystal structure of a non-myristoylated C39D recoverin mutant with one calcium ion bound to EF-hand 3
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2013-08-05
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
4MLW
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BU of 4mlw by Molmil
Crystal structure of non-myristoylated recoverin at 1.45 A resolution with calcium bound to EF-hand 3
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2013-09-06
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A highly conserved cysteine of neuronal calcium-sensing proteins controls cooperative binding of Ca2+ to recoverin.
J.Biol.Chem., 288, 2013
5GRM
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BU of 5grm by Molmil
Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP)
分子名称: Stimulator of interferon genes protein, cGAMP
著者Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D.
登録日2016-08-11
公開日2017-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP)
To Be Published
5GS5
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BU of 5gs5 by Molmil
Crystal structure of apo rat STING
分子名称: SULFATE ION, Stimulator of interferon genes protein
著者Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D.
登録日2016-08-13
公開日2017-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure of apo ratSTING
To Be Published
3KYQ
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BU of 3kyq by Molmil
Lipid-induced Conformational Switch Controls Fusion Activity of Longin Domain SNARE Ykt6
分子名称: SULFATE ION, Synaptobrevin homolog YKT6, dodecyl 2-(trimethylammonio)ethyl phosphate
著者Yu, J, Wen, W.Y, Zhang, M.J.
登録日2009-12-07
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.443 Å)
主引用文献Lipid-Induced Conformational Switch Controls Fusion Activity of Longin Domain SNARE Ykt6
Mol.Cell, 37, 2010
2ADU
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BU of 2adu by Molmil
Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-triazole Inhibitor
分子名称: 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE, COBALT (II) ION, Methionine aminopeptidase 2
著者Kallander, L.S, Lu, Q, Chen, W, Tomaszek, T, Yang, G, Tew, D, Meek, T.D, Hofmann, G.A, Schulz-Pritchard, C.K, Smith, W.W, Janson, C.A, Ryan, M.D, Zhang, G.F, Johanson, K.O, Kirkpatrick, R.B, Ho, T.F, Fisher, P.W, Mattern, M.R, Johnson, R.K, Hansbury, M.J, Winkler, J.D, Ward, K.W, Veber, D.F, Thompson, S.K.
登録日2005-07-20
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo
J.Med.Chem., 48, 2005
4YI9
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BU of 4yi9 by Molmil
Crystal structure of non-myristoylated E153A recoverin at 1.35 A resolution with a sodium ion bound to EF-hand 2 and calcium ion bound to EF-hand 3
分子名称: CALCIUM ION, Recoverin, SODIUM ION
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2015-02-28
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of Recoverin with Calcium Ions Bound to Both Functional EF Hands.
Biochemistry, 54, 2015
4YI8
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BU of 4yi8 by Molmil
Crystal structure of non-myristoylated E153A recoverin at 1.2 A resolution with calcium ions bound to EF-hands 2 and 3
分子名称: CALCIUM ION, Recoverin, SULFATE ION
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2015-02-28
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of Recoverin with Calcium Ions Bound to Both Functional EF Hands.
Biochemistry, 54, 2015
2KA9
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BU of 2ka9 by Molmil
Solution structure of PSD-95 PDZ12 complexed with cypin peptide
分子名称: Disks large homolog 4, cypin peptide
著者Wang, W.N, Weng, J.W, Zhang, X, Liu, M.L, Zhang, M.J.
登録日2008-11-03
公開日2009-06-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Creating conformational entropy by increasing interdomain mobility in ligand binding regulation: a revisit to N-terminal tandem PDZ domains of PSD-95
J.Am.Chem.Soc., 131, 2009
3I1D
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BU of 3i1d by Molmil
Distinct recognition of three-way DNA junctions by the two enantiomers of a metallo-supramolecular cylinder ('helicate')
分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', FE (II) ION, N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
著者Boer, D.R, Uson, I, Hannon, M.J, Coll, M.
登録日2009-06-26
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Self-Assembly of Functionalizable Two-Component 3D DNA Arrays through the Induced Formation of DNA Three-Way-Junction Branch Points by Supramolecular Cylinders.
Angew.Chem.Int.Ed.Engl., 49, 2010
7XS7
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BU of 7xs7 by Molmil
structure of a membrane-integrated glycosyltransferase
分子名称: (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, Chitin synthase 1, DODECANE, ...
著者Wu, Y.N, Zhang, M, Yang, Y.Z, Ding, X.Y, Liu, X.T, Zhang, M.J, Yu, H.J.
登録日2022-05-13
公開日2023-05-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献structure of a membrane-integrated glycosyltransferase with inhibitor
To Be Published
7XS6
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BU of 7xs6 by Molmil
structure of a membrane-integrated glycosyltransferase with inhibitor
分子名称: (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), Chitin synthase 1, ...
著者Wu, Y.N, Zhang, M, Yang, Y.Z, Ding, X.Y, Liu, X.T, Zhang, M.J, Yu, H.J.
登録日2022-05-12
公開日2023-05-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献structure of a membrane-integrated glycosyltransferase with inhibitor
To Be Published
4JIY
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BU of 4jiy by Molmil
RNA three-way junction stabilized by a supramolecular di-iron(II) cylinder drug
分子名称: 5'-(CGUACG)-3', FE (II) ION, N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
著者Sigel, R.K.O, Schnabl, J.A, Freisinger, E, Spingler, B, Hannon, M.J.
登録日2013-03-07
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Binding of a designed anti-cancer drug to the central cavity of an RNA three-way junction.
Angew.Chem.Int.Ed.Engl., 52, 2013
6S47
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BU of 6s47 by Molmil
Saccharomyces cerevisiae 80S ribosome bound with ABCF protein New1
分子名称: 18S rRNA (1707-MER), 28S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Kasari, V, Pochopien, A.A, Margus, T, Murina, V, Turnbull, K, Zhou, Y, Nissan, T, Graf, M, Novacek, J, Atkinson, G.C, Johansson, M.J.O, Wilson, D.N, Hauryliuk, V.
登録日2019-06-26
公開日2019-07-24
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献A role for the Saccharomyces cerevisiae ABCF protein New1 in translation termination/recycling.
Nucleic Acids Res., 47, 2019
4M2Q
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BU of 4m2q by Molmil
Crystal structure of non-myristoylated recoverin with Cysteine-39 oxidized to sulfenic acid
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Chakrabarti, K, Kern, D, Oprian, D.D.
登録日2013-08-05
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
分子名称: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
著者Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
登録日2019-08-21
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7CKG
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BU of 7ckg by Molmil
Crystal structure of TMSiPheRS complexed with TMSiPhe
分子名称: 4-(trimethylsilyl)-L-phenylalanine, Tyrosine--tRNA ligase
著者Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
登録日2020-07-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7CKH
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BU of 7ckh by Molmil
Crystal structure of TMSiPheRS
分子名称: Tyrosine--tRNA ligase
著者Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
登録日2020-07-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79492676 Å)
主引用文献DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
8J26
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BU of 8j26 by Molmil
CryoEM structure of SARS CoV-2 RBD and Aptamer complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-4, AM047-6, ...
著者Rahman, M.S, Jang, S.K, Lee, J.O.
登録日2023-04-14
公開日2023-06-21
最終更新日2023-07-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
8J1Q
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BU of 8j1q by Molmil
CryoEM structure of SARS CoV-2 RBD and Aptamer complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-0, AM047-0, ...
著者Rahman, M.S, Jang, S.K, Lee, J.O.
登録日2023-04-13
公開日2023-06-21
最終更新日2023-07-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
3O71
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BU of 3o71 by Molmil
Crystal structure of ERK2/DCC peptide complex
分子名称: Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION
著者Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J.
登録日2010-07-30
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase
Structure, 18, 2010
2PE2
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BU of 2pe2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX
分子名称: 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.
Bioorg.Med.Chem.Lett., 17, 2007
2PE0
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BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
分子名称: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
分子名称: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007

 

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