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4FV0
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BU of 4fv0 by Molmil
Crystal Structure of the ERK2 complexed with EK3
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-28
公開日2012-08-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK3
TO BE PUBLISHED
2MLJ
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BU of 2mlj by Molmil
Structure of Lasso Peptide Caulonodin V
分子名称: Caulonodin V
著者Zimmermann, M, Hegemann, J.D, Xie, X, Marahiel, M.A.
登録日2014-02-28
公開日2015-01-14
実験手法SOLUTION NMR
主引用文献Characterization of caulonodin lasso peptides revealed unprecedented N-terminal residues and a precursor motif essential for peptide maturation
CHEM SCI, 5, 2014
2MFV
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BU of 2mfv by Molmil
Structure of lasso peptide xanthomonin ii
分子名称: Xanthomonin II
著者Hegemann, J.D, Zimmermann, M, Harms, K, Xie, X, Marahiel, M.A.
登録日2013-10-23
公開日2014-10-29
実験手法SOLUTION NMR
主引用文献Xanthomonin I-III are Lasso Peptides Featuring Macrolactam Rings Consisting of Only Seven Amino Acids
To be Published
4FV3
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BU of 4fv3 by Molmil
Crystal Structure of the ERK2 complexed with EK6
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK6
TO BE PUBLISHED
2MMW
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BU of 2mmw by Molmil
LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGD SUBSTITUTION of GLY12-ILE13-GLY14
分子名称: Microcin J25
著者Knappe, T.A, Linne, U, Xie, X, Marahiel, M.A.
登録日2014-03-20
公開日2014-05-14
実験手法SOLUTION NMR
主引用文献Introducing lasso peptides as molecular scaffolds for drug design: engineering of an integrin antagonist.
Angew.Chem.Int.Ed.Engl., 50, 2011
4FV6
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BU of 4fv6 by Molmil
Crystal Structure of the ERK2 complexed with E57
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the ERK2 complexed with E57
TO BE PUBLISHED
4FV7
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BU of 4fv7 by Molmil
Crystal Structure of the ERK2 complexed with E94
分子名称: 1,2-ETHANEDIOL, 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the ERK2 complexed with E94
TO BE PUBLISHED
4FUX
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BU of 4fux by Molmil
Crystal Structure of the ERK2 complexed with E75
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-28
公開日2012-08-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the ERK2 complexed with E75
TO BE PUBLISHED
4G6O
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BU of 4g6o by Molmil
Crystal Structure of the ERK2
分子名称: 1,2-ETHANEDIOL, 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-07-19
公開日2012-09-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the ERK2 complexed with E28
to be published
2MMT
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BU of 2mmt by Molmil
Lasso peptide-based integrin inhibitor: Microcin J25 variant with RGDF substitution of Gly12-Ile13-Gly14-Thr15
分子名称: Microcin J25 RGDF mutant
著者Hegemann, J.D, Zimmermann, M, Knappe, T.A, Xie, X, Marahiel, M.A.
登録日2014-03-18
公開日2014-07-02
最終更新日2014-07-23
実験手法SOLUTION NMR
主引用文献Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides.
J.Med.Chem., 57, 2014
4FUY
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BU of 4fuy by Molmil
Crystal Structure of the ERK2 complexed with EK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-28
公開日2012-08-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK2
TO BE PUBLISHED
4FV9
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BU of 4fv9 by Molmil
Crystal Structure of the ERK2 complexed with E71
分子名称: 1,2-ETHANEDIOL, 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of the ERK2 complexed with E71
TO BE PUBLISHED
4G6N
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BU of 4g6n by Molmil
Crystal Structure of the ERK2
分子名称: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-07-19
公開日2012-09-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK0
to be published
4FV1
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BU of 4fv1 by Molmil
Crystal Structure of the ERK2 complexed with EK4
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-28
公開日2012-08-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK4
TO BE PUBLISHED
2LX6
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BU of 2lx6 by Molmil
Structure of Lasso Peptide Caulosegnin I
分子名称: Putative uncharacterized protein
著者Hegemann, J.D, Zimmermann, M, Xie, X, Marahiel, M.A.
登録日2012-08-15
公開日2012-12-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Caulosegnins I-III: A Highly Diverse Group of Lasso Peptides Derived from a Single Biosynthetic Gene Cluster.
J.Am.Chem.Soc., 135, 2013
4FV4
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BU of 4fv4 by Molmil
Crystal Structure of the ERK2 complexed with EK7
分子名称: 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK7
TO BE PUBLISHED
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
分子名称: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
著者Kohls, D, Xie, X.
登録日2015-09-15
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
5TPY
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BU of 5tpy by Molmil
Crystal structure of an exonuclease resistant RNA from Zika virus
分子名称: HEXANE-1,6-DIOL, MAGNESIUM ION, RNA (71-MER)
著者Akiyama, B.M, Laurence, H.M, Massey, A.R, Costantino, D.A, Xie, X, Yang, Y, Shi, P.-Y, Nix, J.C, Beckham, J.D, Kieft, J.S.
登録日2016-10-21
公開日2016-12-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献Zika virus produces noncoding RNAs using a multi-pseudoknot structure that confounds a cellular exonuclease.
Science, 354, 2016
5EP6
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BU of 5ep6 by Molmil
The crystal structure of NAP1 in complex with TBK1
分子名称: 5-azacytidine-induced protein 2, GLYCEROL, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-11
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5EOF
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BU of 5eof by Molmil
Crystal structure of OPTN NTD and TBK1 CTD complex
分子名称: Optineurin, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-10
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
4NAG
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BU of 4nag by Molmil
Xanthomonins I III are a New Class of Lasso Peptides Featuringa Seven-Membered Macrolactam Ring
分子名称: HEXANE-1,6-DIOL, Xanthomonin I
著者Hegemann, J.D, Zimmermann, M, Zhu, S, Steuber, H, Harms, K, Xie, X, Marahiel, M.A.
登録日2013-10-22
公開日2014-04-30
最終更新日2014-05-21
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring.
Angew.Chem.Int.Ed.Engl., 53, 2014
4OPI
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BU of 4opi by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
分子名称: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE
著者McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
登録日2014-02-05
公開日2014-07-09
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
4OPT
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BU of 4opt by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase
分子名称: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE, ...
著者McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
登録日2014-02-06
公開日2014-07-09
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
4OPC
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BU of 4opc by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
登録日2014-02-05
公開日2014-07-09
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
4OPU
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BU of 4opu by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase
分子名称: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE
著者McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
登録日2014-02-06
公開日2014-07-09
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014

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