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4FV3
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BU of 4fv3 by Molmil
Crystal Structure of the ERK2 complexed with EK6
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the ERK2 complexed with EK6
TO BE PUBLISHED
4FV6
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BU of 4fv6 by Molmil
Crystal Structure of the ERK2 complexed with E57
Descriptor: 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, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the ERK2 complexed with E57
TO BE PUBLISHED
4FUX
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BU of 4fux by Molmil
Crystal Structure of the ERK2 complexed with E75
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the ERK2 complexed with E75
TO BE PUBLISHED
4FV7
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BU of 4fv7 by Molmil
Crystal Structure of the ERK2 complexed with E94
Descriptor: 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, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the ERK2 complexed with E94
TO BE PUBLISHED
4G6O
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BU of 4g6o by Molmil
Crystal Structure of the ERK2
Descriptor: 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, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-07-19
Release date:2012-09-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the ERK2 complexed with E28
to be published
2M37
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BU of 2m37 by Molmil
Structure of lasso peptide astexin-1
Descriptor: ASTEXIN-1
Authors:Zimmermann, M, Hegemann, J.D, Xie, X, Marahiel, M.A.
Deposit date:2013-01-14
Release date:2013-05-01
Method:SOLUTION NMR
Cite:The astexin-1 lasso peptides: biosynthesis, stability, and structural studies.
Chem.Biol., 20, 2013
4FUY
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BU of 4fuy by Molmil
Crystal Structure of the ERK2 complexed with EK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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
Descriptor: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-07-19
Release date:2012-09-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the ERK2 complexed with EK4
TO BE PUBLISHED
4FV4
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BU of 4fv4 by Molmil
Crystal Structure of the ERK2 complexed with EK7
Descriptor: 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the ERK2 complexed with EK7
TO BE PUBLISHED
2MLJ
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BU of 2mlj by Molmil
Structure of Lasso Peptide Caulonodin V
Descriptor: Caulonodin V
Authors:Zimmermann, M, Hegemann, J.D, Xie, X, Marahiel, M.A.
Deposit date:2014-02-28
Release date:2015-01-14
Method:SOLUTION NMR
Cite: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
Descriptor: Xanthomonin II
Authors:Hegemann, J.D, Zimmermann, M, Harms, K, Xie, X, Marahiel, M.A.
Deposit date:2013-10-23
Release date:2014-10-29
Method:SOLUTION NMR
Cite:Xanthomonin I-III are Lasso Peptides Featuring Macrolactam Rings Consisting of Only Seven Amino Acids
To be Published
2LX6
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BU of 2lx6 by Molmil
Structure of Lasso Peptide Caulosegnin I
Descriptor: Putative uncharacterized protein
Authors:Hegemann, J.D, Zimmermann, M, Xie, X, Marahiel, M.A.
Deposit date:2012-08-15
Release date:2012-12-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Caulosegnins I-III: A Highly Diverse Group of Lasso Peptides Derived from a Single Biosynthetic Gene Cluster.
J.Am.Chem.Soc., 135, 2013
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
Descriptor: 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
Authors:Kohls, D, Xie, X.
Deposit date:2015-09-15
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
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
Descriptor: Microcin J25
Authors:Knappe, T.A, Linne, U, Xie, X, Marahiel, M.A.
Deposit date:2014-03-20
Release date:2014-05-14
Method:SOLUTION NMR
Cite:Introducing lasso peptides as molecular scaffolds for drug design: engineering of an integrin antagonist.
Angew.Chem.Int.Ed.Engl., 50, 2011
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
Descriptor: Microcin J25 RGDF mutant
Authors:Hegemann, J.D, Zimmermann, M, Knappe, T.A, Xie, X, Marahiel, M.A.
Deposit date:2014-03-18
Release date:2014-07-02
Last modified:2014-07-23
Method:SOLUTION NMR
Cite:Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides.
J.Med.Chem., 57, 2014
4OPT
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BU of 4opt by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase
Descriptor: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE, ...
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-06
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
4OPI
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BU of 4opi by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Descriptor: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-05
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
4OPL
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BU of 4opl by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Descriptor: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-05
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
4OPD
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BU of 4opd by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Descriptor: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-05
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-06
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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.
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-05
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
4OPG
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BU of 4opg by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Descriptor: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE, ...
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-05
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
5TPY
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BU of 5tpy by Molmil
Crystal structure of an exonuclease resistant RNA from Zika virus
Descriptor: HEXANE-1,6-DIOL, MAGNESIUM ION, RNA (71-MER)
Authors: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.
Deposit date:2016-10-21
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Zika virus produces noncoding RNAs using a multi-pseudoknot structure that confounds a cellular exonuclease.
Science, 354, 2016

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