4QNB
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![BU of 4qnb by Molmil](/molmil-images/mine/4qnb) | |
4QP7
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![BU of 4qp7 by Molmil](/molmil-images/mine/4qp7) | |
4QP4
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![BU of 4qp4 by Molmil](/molmil-images/mine/4qp4) | |
4QPA
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![BU of 4qpa by Molmil](/molmil-images/mine/4qpa) | |
4QP2
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![BU of 4qp2 by Molmil](/molmil-images/mine/4qp2) | |
4QP8
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![BU of 4qp8 by Molmil](/molmil-images/mine/4qp8) | |
4QYY
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![BU of 4qyy by Molmil](/molmil-images/mine/4qyy) | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | Deposit date: | 2014-07-26 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
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4QP6
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![BU of 4qp6 by Molmil](/molmil-images/mine/4qp6) | |
4S2Z
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![BU of 4s2z by Molmil](/molmil-images/mine/4s2z) | |
4S34
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![BU of 4s34 by Molmil](/molmil-images/mine/4s34) | ERK2 (I84A) in complex with AMP-PNP | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Livnah, O, Karamansha, Y, Tzarum, N. | Deposit date: | 2015-01-26 | Release date: | 2016-01-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multiple mechanisms render Erk proteins MEK-independent To be Published
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4FV2
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![BU of 4fv2 by Molmil](/molmil-images/mine/4fv2) | Crystal Structure of the ERK2 complexed with EK5 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, 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 (2 Å) | Cite: | Crystal Structure of the ERK2 complexed with EK5 TO BE PUBLISHED
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4FV5
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![BU of 4fv5 by Molmil](/molmil-images/mine/4fv5) | Crystal Structure of the ERK2 complexed with EK9 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-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: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the ERK2 complexed with EK9 TO BE PUBLISHED
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4FV8
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![BU of 4fv8 by Molmil](/molmil-images/mine/4fv8) | Crystal Structure of the ERK2 complexed with E63 | Descriptor: | 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, 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 Å) | Cite: | Crystal Structure of the ERK2 complexed with E63 TO BE PUBLISHED
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8QUL
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![BU of 8qul by Molmil](/molmil-images/mine/8qul) | Hexameric HIV-1 CA in complex with DDD00100555 | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QUY
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![BU of 8quy by Molmil](/molmil-images/mine/8quy) | Hexameric HIV-1 CA in complex with DDD01728501 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QUI
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![BU of 8qui by Molmil](/molmil-images/mine/8qui) | Hexameric HIV-1 CA in complex with DDD00024969 | Descriptor: | Spacer peptide 1, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QUW
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![BU of 8quw by Molmil](/molmil-images/mine/8quw) | Hexameric HIV-1 CA in complex with DDD01044153 | Descriptor: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QVA
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![BU of 8qva by Molmil](/molmil-images/mine/8qva) | Hexameric HIV-1 CA in complex with DDD01829894 | Descriptor: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QV9
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![BU of 8qv9 by Molmil](/molmil-images/mine/8qv9) | Hexameric HIV-1 CA in complex with DDD01829021 | Descriptor: | 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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4FV0
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![BU of 4fv0 by Molmil](/molmil-images/mine/4fv0) | |
8QUB
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![BU of 8qub by Molmil](/molmil-images/mine/8qub) | Hexameric HIV-1 CA in complex with DDD00074110 | Descriptor: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QUJ
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![BU of 8quj by Molmil](/molmil-images/mine/8quj) | Hexameric HIV-1 CA in complex with DDD00100452 | Descriptor: | 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QV4
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![BU of 8qv4 by Molmil](/molmil-images/mine/8qv4) | Hexameric HIV-1 CA in complex with DDD01728503 | Descriptor: | 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QUH
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![BU of 8quh by Molmil](/molmil-images/mine/8quh) | Hexameric HIV-1 CA in complex with DDD00057456 | Descriptor: | 4-methylquinolin-2-ol, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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8QUK
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![BU of 8quk by Molmil](/molmil-images/mine/8quk) | Hexameric HIV-1 CA in complex with DDD00100439 | Descriptor: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
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