4GSB
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4GGF
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![BU of 4ggf by Molmil](/molmil-images/mine/4ggf) | Crystal structure of Mn2+ bound calprotectin | Descriptor: | CALCIUM ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Damo, S.M, Fritz, G. | Deposit date: | 2012-08-06 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for manganese sequestration by calprotectin and roles in the innate immune response to invading bacterial pathogens. Proc.Natl.Acad.Sci.USA, 110, 2013
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4GEO
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![BU of 4geo by Molmil](/molmil-images/mine/4geo) | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2012-08-02 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) To be Published
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4G6O
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![BU of 4g6o by Molmil](/molmil-images/mine/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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4G6N
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![BU of 4g6n by Molmil](/molmil-images/mine/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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4FV9
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![BU of 4fv9 by Molmil](/molmil-images/mine/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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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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4FV7
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![BU of 4fv7 by Molmil](/molmil-images/mine/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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4FV6
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![BU of 4fv6 by Molmil](/molmil-images/mine/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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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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4FV4
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![BU of 4fv4 by Molmil](/molmil-images/mine/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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4FV3
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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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4FV1
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4FV0
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4FUY
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![BU of 4fuy by Molmil](/molmil-images/mine/4fuy) | |
4FUX
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4FMQ
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4FA2
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![BU of 4fa2 by Molmil](/molmil-images/mine/4fa2) | Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2012-05-21 | Release date: | 2013-06-05 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4F9Y
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![BU of 4f9y by Molmil](/molmil-images/mine/4f9y) | Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2012-05-21 | Release date: | 2013-06-05 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4F9W
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![BU of 4f9w by Molmil](/molmil-images/mine/4f9w) | Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2012-05-21 | Release date: | 2013-06-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4EYM
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![BU of 4eym by Molmil](/molmil-images/mine/4eym) | MAPK13 complex with inhibitor | Descriptor: | 2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide, Mitogen-activated protein kinase 13 | Authors: | Miller, C.A, Brett, T.J. | Deposit date: | 2012-05-01 | Release date: | 2012-12-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | IL-13-induced airway mucus production is attenuated by MAPK13 inhibition. J.Clin.Invest., 122, 2012
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4EYJ
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![BU of 4eyj by Molmil](/molmil-images/mine/4eyj) | MAPK13 Complex with inhibitor | Descriptor: | 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea, Mitogen-activated protein kinase 13 | Authors: | Miller, C.A, Brett, T.J. | Deposit date: | 2012-05-01 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | IL-13-induced airway mucus production is attenuated by MAPK13 inhibition. J.Clin.Invest., 122, 2012
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4EWQ
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![BU of 4ewq by Molmil](/molmil-images/mine/4ewq) | Human p38 alpha MAPK in complex with a pyridazine based inhibitor | Descriptor: | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... | Authors: | Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-27 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4EHV
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![BU of 4ehv by Molmil](/molmil-images/mine/4ehv) | Human p38 MAP kinase in complex with NP-F10 and RL87 | Descriptor: | (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-04 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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