1YP7
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![BU of 1yp7 by Molmil](/molmil-images/mine/1yp7) | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | Descriptor: | CADMIUM ION, MAJOR URINARY PROTEIN 1 | Authors: | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | Deposit date: | 2005-01-30 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water J.Am.Chem.Soc., 127, 2005
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4PBU
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![BU of 4pbu by Molmil](/molmil-images/mine/4pbu) | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | Deposit date: | 2014-04-13 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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5W0P
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![BU of 5w0p by Molmil](/molmil-images/mine/5w0p) | Crystal structure of rhodopsin bound to visual arrestin determined by X-ray free electron laser | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolysin,Rhodopsin,S-arrestin | Authors: | Zhou, X.E, He, Y, de Waal, P.W, Gao, X, Kang, Y, Van Eps, N, Yin, Y, Pal, K, Goswami, D, White, T.A, Barty, A, Latorraca, N.R, Chapman, H.N, Hubbell, W.L, Dror, R.O, Stevens, R.C, Cherezov, V, Gurevich, V.V, Griffin, P.R, Ernst, O.P, Melcher, K, Xu, H.E. | Deposit date: | 2017-05-31 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.013 Å) | Cite: | Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors. Cell, 170, 2017
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4HEE
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![BU of 4hee by Molmil](/molmil-images/mine/4hee) | Crystal structure of PPARgamma in complex with compound 13 | Descriptor: | 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Han, S. | Deposit date: | 2012-10-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma Bioorg.Med.Chem.Lett., 23, 2013
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1ZNG
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![BU of 1zng by Molmil](/molmil-images/mine/1zng) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, HEPTAN-1-OL, Major Urinary Protein | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1Z29
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![BU of 1z29 by Molmil](/molmil-images/mine/1z29) | Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF) | Descriptor: | ACETIC ACID, ADENOSINE-3'-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W. | Deposit date: | 2005-03-07 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2. Biochem.Biophys.Res.Commun., 396, 2010
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5SZG
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![BU of 5szg by Molmil](/molmil-images/mine/5szg) | Structure of the bMERB domain of Mical-3 | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein-methionine sulfoxide oxidase MICAL3 | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Gazdag, E.M, Mueller, M.P. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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5SZK
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![BU of 5szk by Molmil](/molmil-images/mine/5szk) | Structure of human N-terminally engineered Rab1b in complex with the bMERB domain of Mical-cL | Descriptor: | MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Gazdag, E.M, Mueller, M.P. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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5T5I
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![BU of 5t5i by Molmil](/molmil-images/mine/5t5i) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CALCIUM ION, GLYCEROL, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-08-31 | Release date: | 2016-10-19 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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1YZI
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![BU of 1yzi by Molmil](/molmil-images/mine/1yzi) | |
1XA9
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![BU of 1xa9 by Molmil](/molmil-images/mine/1xa9) | Crystal structure of yellow fluorescent protein zFP538 K66M green mutant | Descriptor: | BETA-MERCAPTOETHANOL, fluorescent protein FP538 | Authors: | Remington, S.J, Wachter, R.M, Yarbrough, D.K, Branchaud, B, Anderson, D.C, Kallio, K, Lukyanov, K.A. | Deposit date: | 2004-08-25 | Release date: | 2005-02-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | zFP538, a yellow-fluorescent protein from Zoanthus, contains a novel three-ring chromophore. Biochemistry, 44, 2005
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2A3L
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![BU of 2a3l by Molmil](/molmil-images/mine/2a3l) | X-Ray Structure of Adenosine 5'-Monophosphate Deaminase from Arabidopsis Thaliana in Complex with Coformycin 5'-Phosphate | Descriptor: | AMP deaminase, COFORMYCIN 5'-PHOSPHATE, PHOSPHATE ION, ... | Authors: | Han, B.W, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-06-25 | Release date: | 2005-07-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Membrane association, mechanism of action, and structure of Arabidopsis embryonic factor 1 (FAC1). J.Biol.Chem., 281, 2006
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1Z3N
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![BU of 1z3n by Molmil](/molmil-images/mine/1z3n) | Human aldose reductase in complex with NADP+ and the inhibitor lidorestat at 1.04 angstrom | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase, {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | Authors: | Van Zandt, M.C, Jones, M.L, Gunn, D.E, Geraci, L.S, Jones, J.H, Sawicki, D.R, Sredy, J, Jacot, J.L, Dicioccio, A.T, Petrova, T, Mitschler, A, Podjarny, A.D. | Deposit date: | 2005-03-14 | Release date: | 2006-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications J.Med.Chem., 48, 2005
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1Z28
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![BU of 1z28 by Molmil](/molmil-images/mine/1z28) | Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF) | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Phenol-sulfating phenol sulfotransferase 1 | Authors: | Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W. | Deposit date: | 2005-03-07 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2. Biochem.Biophys.Res.Commun., 396, 2010
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1ZND
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![BU of 1znd by Molmil](/molmil-images/mine/1znd) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, Major Urinary Protein, PENTAN-1-OL | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1Z71
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![BU of 1z71 by Molmil](/molmil-images/mine/1z71) | thrombin and P2 pyridine N-oxide inhibitor complex structure | Descriptor: | Hirudin IIIB', L17, thrombin | Authors: | Nantermet, P.G, Burgey, C.S, Robinson, K.A, Pellicore, J.M, Newton, C.L, Deng, J.Z, Lyle, T.A, Selnick, H.G, Lewis, S.D, Lucas, B.J, Krueger, J.A, Miller-Stein, C, White, R.B, Wong, B, McMasters, D.R, Wallace, A.A, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | Deposit date: | 2005-03-23 | Release date: | 2005-05-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | P(2) pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold BIOORG.MED.CHEM.LETT., 15, 2005
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1ZNE
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![BU of 1zne by Molmil](/molmil-images/mine/1zne) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, HEXAN-1-OL, Major Urinary Protein | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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3IGS
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![BU of 3igs by Molmil](/molmil-images/mine/3igs) | Structure of the Salmonella enterica N-acetylmannosamine-6-phosphate 2-epimerase | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, N-acetylmannosamine-6-phosphate 2-epimerase 2, ... | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Skarina, T, Papazisi, L, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-28 | Release date: | 2009-08-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: |
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3IHS
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![BU of 3ihs by Molmil](/molmil-images/mine/3ihs) | Crystal Structure of a Phosphocarrier Protein HPr from Bacillus anthracis str. Ames | Descriptor: | Phosphocarrier protein HPr | Authors: | Brunzelle, J.S, Anderson, S.M, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-30 | Release date: | 2009-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal Structure of a Phosphocarrier Protein HPr from Bacillus anthracis str. Ames To be Published
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3IW5
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![BU of 3iw5 by Molmil](/molmil-images/mine/3iw5) | Human p38 MAP Kinase in Complex with an Indole Derivative | Descriptor: | Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3ITZ
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![BU of 3itz by Molmil](/molmil-images/mine/3itz) | |
3IW8
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![BU of 3iw8 by Molmil](/molmil-images/mine/3iw8) | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | Descriptor: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3IG4
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![BU of 3ig4 by Molmil](/molmil-images/mine/3ig4) | Structure of a putative aminopeptidase P from Bacillus anthracis | Descriptor: | MANGANESE (II) ION, SULFATE ION, Xaa-pro aminopeptidase | Authors: | Anderson, S.M, Wawrzak, Z, Skarina, T, Onopriyenko, O, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-27 | Release date: | 2009-08-04 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of a putative aminopeptidase P from Bacillus anthracis To be Published
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3IPH
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![BU of 3iph by Molmil](/molmil-images/mine/3iph) | Crystal structure of p38 in complex with a biphenylamide inhibitor | Descriptor: | 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | Authors: | Somers, D.O. | Deposit date: | 2009-08-17 | Release date: | 2009-11-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression. J.Med.Chem., 52, 2009
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3IW7
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![BU of 3iw7 by Molmil](/molmil-images/mine/3iw7) | Human p38 MAP Kinase in Complex with an Imidazo-pyridine | Descriptor: | 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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