2MMW
 
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2MMT
 | | 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
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2LX6
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5EOA
 | | Crystal structure of OPTN E50K mutant and TBK1 complex | | Descriptor: | Optineurin, Serine/threonine-protein kinase TBK1 | | Authors: | Li, F, Xie, X, Liu, J, Pan, L. | | Deposit date: | 2015-11-10 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
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5EP6
 | | The crystal structure of NAP1 in complex with TBK1 | | Descriptor: | 5-azacytidine-induced protein 2, GLYCEROL, Serine/threonine-protein kinase TBK1 | | Authors: | Li, F, Xie, X, Liu, J, Pan, L. | | Deposit date: | 2015-11-11 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
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5EOF
 | | Crystal structure of OPTN NTD and TBK1 CTD complex | | Descriptor: | Optineurin, Serine/threonine-protein kinase TBK1 | | Authors: | Li, F, Xie, X, Liu, J, Pan, L. | | Deposit date: | 2015-11-10 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
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4NAG
 | | Xanthomonins I III are a New Class of Lasso Peptides Featuringa Seven-Membered Macrolactam Ring | | Descriptor: | HEXANE-1,6-DIOL, Xanthomonin I | | Authors: | Hegemann, J.D, Zimmermann, M, Zhu, S, Steuber, H, Harms, K, Xie, X, Marahiel, M.A. | | Deposit date: | 2013-10-22 | | Release date: | 2014-04-30 | | Last modified: | 2014-05-21 | | Method: | X-RAY DIFFRACTION (0.81 Å) | | Cite: | Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4OPT
 | | 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
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4OPI
 | | 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
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4OPC
 | | 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
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4OPU
 | | 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
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4OPD
 | | 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
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4OPL
 | | 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
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4OPG
 | | 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
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4FV3
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4FV6
 | | 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
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4FUX
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4FV7
 | | 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
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4G6O
 | | 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
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4FUY
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4FV9
 | | 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
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4G6N
 | | 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
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4FV4
 | | 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
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4FV1
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5DRB
 | | 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
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