2W6G
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![BU of 2w6g by Molmil](/molmil-images/mine/2w6g) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 3. | Descriptor: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | Authors: | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | Deposit date: | 2008-12-18 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Improving Diffraction by Humidity Control: A Novel Device Compatible with X-Ray Beamlines. Acta Crystallogr.,Sect.D, 65, 2009
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2W6H
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![BU of 2w6h by Molmil](/molmil-images/mine/2w6h) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4A. | Descriptor: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | Authors: | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | Deposit date: | 2008-12-18 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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3RIN
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![BU of 3rin by Molmil](/molmil-images/mine/3rin) | p38 kinase crystal structure in complex with small molecule inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide | Authors: | Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode. Bioorg.Med.Chem.Lett., 21, 2011
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2W6F
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![BU of 2w6f by Molmil](/molmil-images/mine/2w6f) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 2. | Descriptor: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | Authors: | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | Deposit date: | 2008-12-18 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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3O7X
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3O8P
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![BU of 3o8p by Molmil](/molmil-images/mine/3o8p) | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | Descriptor: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ... | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-08-03 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
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5O90
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![BU of 5o90 by Molmil](/molmil-images/mine/5o90) | Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Nichols, C.E, De Nicola, G.F, Thapa, D. | Deposit date: | 2017-06-15 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185. Mol. Cell. Biol., 38, 2018
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5Y4E
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![BU of 5y4e by Molmil](/molmil-images/mine/5y4e) | Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b | Descriptor: | Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
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3OC1
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![BU of 3oc1 by Molmil](/molmil-images/mine/3oc1) | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | Descriptor: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14 | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-08-09 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
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2DKI
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![BU of 2dki by Molmil](/molmil-images/mine/2dki) | Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni, under pressure of xenon gas (12 atm) | Descriptor: | 3-HYDROXYBENZOATE HYDROXYLASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Hiromoto, T, Fujiwara, S, Hosokawa, K, Yamaguchi, H. | Deposit date: | 2006-04-11 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni has a large tunnel for substrate and oxygen access to the active site J.Mol.Biol., 364, 2006
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5Y60
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![BU of 5y60 by Molmil](/molmil-images/mine/5y60) | V/A-type ATPase/synthase from Thermus thermophilus, rotational state 3. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | Authors: | Nakanishi, A, Kishikawa, J, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | Deposit date: | 2017-08-10 | Release date: | 2018-01-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Cryo EM structure of intact rotary H+-ATPase/synthase from Thermus thermophilus Nat Commun, 9, 2018
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2W6I
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![BU of 2w6i by Molmil](/molmil-images/mine/2w6i) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4B. | Descriptor: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | Authors: | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | Deposit date: | 2008-12-18 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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4D86
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![BU of 4d86 by Molmil](/molmil-images/mine/4d86) | Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-01-10 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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3ODZ
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![BU of 3odz by Molmil](/molmil-images/mine/3odz) | Crystal structure of P38alpha Y323R active mutant | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2010-08-12 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
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3OEF
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![BU of 3oef by Molmil](/molmil-images/mine/3oef) | Crystal structure of Y323F inactive mutant of p38alpha MAP kinase | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2010-08-12 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
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6BEU
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![BU of 6beu by Molmil](/molmil-images/mine/6beu) | Solution structure of de novo macrocycle design14_ss | Descriptor: | (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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3OBJ
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![BU of 3obj by Molmil](/molmil-images/mine/3obj) | |
3ZSG
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![BU of 3zsg by Molmil](/molmil-images/mine/3zsg) | X-ray structure of p38alpha bound to TAK-715 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-28 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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3ZSH
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![BU of 3zsh by Molmil](/molmil-images/mine/3zsh) | X-ray structure of p38alpha bound to SCIO-469 | Descriptor: | 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, MITOGEN-ACTIVATED PROTEIN KINASE 14, octyl beta-D-glucopyranoside | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-28 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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2W6E
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![BU of 2w6e by Molmil](/molmil-images/mine/2w6e) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration:hydration state 1. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ... | Authors: | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | Deposit date: | 2008-12-18 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (6.5 Å) | Cite: | Improving Diffraction by Humidity Control: A Novel Device Compatible with X-Ray Beamlines. Acta Crystallogr.,Sect.D, 65, 2009
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2W6J
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![BU of 2w6j by Molmil](/molmil-images/mine/2w6j) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 5. | Descriptor: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | Authors: | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | Deposit date: | 2008-12-18 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.84 Å) | Cite: | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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3ODY
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![BU of 3ody by Molmil](/molmil-images/mine/3ody) | Crystal structure of p38alpha Y323Q active mutant | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2010-08-12 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
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6SOV
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![BU of 6sov by Molmil](/molmil-images/mine/6sov) | Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha | Descriptor: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-08-30 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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2BAL
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![BU of 2bal by Molmil](/molmil-images/mine/2bal) | p38alpha MAP kinase bound to pyrazoloamine | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase. Biochemistry, 44, 2005
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6VHS
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![BU of 6vhs by Molmil](/molmil-images/mine/6vhs) | Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317 | Descriptor: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Sacco, M.D, Chen, Y. | Deposit date: | 2020-01-10 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases. J.Med.Chem., 63, 2020
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