3O8T
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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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3N4D
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1SGO
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![BU of 1sgo by Molmil](/molmil-images/mine/1sgo) | NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969. | Descriptor: | Protein C14orf129 | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shih, L.-Y, Ma, L.-C, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-02-24 | Release date: | 2004-05-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969. To be Published
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3PG3
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![BU of 3pg3 by Molmil](/molmil-images/mine/3pg3) | Human p38 MAP Kinase in Complex with RL182 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-10-29 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha To be Published
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3QUE
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![BU of 3que by Molmil](/molmil-images/mine/3que) | Human p38 MAP Kinase in Complex with Skepinone-L | Descriptor: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D. | Deposit date: | 2011-02-23 | Release date: | 2012-01-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor. Nat.Chem.Biol., 8, 2012
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2VG7
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![BU of 2vg7 by Molmil](/molmil-images/mine/2vg7) | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | Deposit date: | 2007-11-08 | Release date: | 2007-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors. Biochem.Biophys.Res.Commun., 365, 2008
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2X1L
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![BU of 2x1l by Molmil](/molmil-images/mine/2x1l) | Crystal structure of Mycobacterium smegmatis methionyl-tRNA synthetase in complex with methionine and adenosine | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ADENOSINE, DIHYDROGENPHOSPHATE ION, ... | Authors: | Ingvarsson, H, Jones, T.A, Unge, T. | Deposit date: | 2009-12-31 | Release date: | 2010-07-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Flexibility and Communication within the Structure of the Mycobacterium Smegmatis Methionyl-tRNA Synthetase. FEBS J., 277, 2010
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2WOD
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![BU of 2wod by Molmil](/molmil-images/mine/2wod) | Crystal Structure of the dinitrogenase reductase-activating glycohydrolase (DRAG) from Rhodospirillum rubrum in complex with ADP- ribsoyllysine | Descriptor: | ADP-RIBOSYL-[DINITROGEN REDUCTASE] GLYCOHYDROLASE, CHLORIDE ION, GLYCEROL, ... | Authors: | Berthold, C.L, Wang, H, Nordlund, S, Hogbom, M. | Deposit date: | 2009-07-23 | Release date: | 2009-08-11 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag. Proc.Natl.Acad.Sci.USA, 106, 2009
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2X7Z
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![BU of 2x7z by Molmil](/molmil-images/mine/2x7z) | Crystal Structure of the SAP97 PDZ2 I342W C378A mutant protein domain | Descriptor: | AMMONIUM ION, DISKS LARGE HOMOLOG 1, IMIDAZOLE | Authors: | Haq, S.R, Jurgens, M.C, Chi, C.N, Elfstrom, L, Koh, C.S, Selmer, M, Gianni, S, Jemth, P. | Deposit date: | 2010-03-04 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Plastic Energy Landscape of Protein Folding: A Triangular Folding Mechanism with an Equilibrium Intermediate for a Small Protein Domain. J.Biol.Chem., 285, 2010
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2UXZ
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![BU of 2uxz by Molmil](/molmil-images/mine/2uxz) | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic | Descriptor: | HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | Authors: | Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K. | Deposit date: | 2007-04-02 | Release date: | 2008-05-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic. J.Med.Chem., 51, 2008
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2UY0
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![BU of 2uy0 by Molmil](/molmil-images/mine/2uy0) | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic | Descriptor: | HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | Authors: | Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K. | Deposit date: | 2007-04-02 | Release date: | 2008-05-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic. J.Med.Chem., 51, 2008
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2VN7
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![BU of 2vn7 by Molmil](/molmil-images/mine/2vn7) | Glycoside Hydrolase Family 15 Glucoamylase from Hypocrea jecorina | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bott, R, Sandgren, M, Hansson, H. | Deposit date: | 2008-01-31 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Structure of an Intact Glycoside Hydrolase Family 15 Glucoamylase from Hypocrea Jecorina. Biochemistry, 47, 2008
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2VN4
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![BU of 2vn4 by Molmil](/molmil-images/mine/2vn4) | Glycoside Hydrolase Family 15 Glucoamylase from Hypocrea jecorina | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bott, R, Sandgren, M, Hansson, H. | Deposit date: | 2008-01-30 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Three-Dimensional Structure of an Intact Glycoside Hydrolase Family 15 Glucoamylase from Hypocrea Jecorina. Biochemistry, 47, 2008
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8RDS
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![BU of 8rds by Molmil](/molmil-images/mine/8rds) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i | Descriptor: | (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDQ
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![BU of 8rdq by Molmil](/molmil-images/mine/8rdq) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b | Descriptor: | (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDP
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![BU of 8rdp by Molmil](/molmil-images/mine/8rdp) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a | Descriptor: | (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDR
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![BU of 8rdr by Molmil](/molmil-images/mine/8rdr) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g | Descriptor: | (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDT
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![BU of 8rdt by Molmil](/molmil-images/mine/8rdt) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j | Descriptor: | (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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2W44
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![BU of 2w44 by Molmil](/molmil-images/mine/2w44) | Structure DeltaA1-A4 insulin | Descriptor: | CHLORIDE ION, INSULIN, RESORCINOL, ... | Authors: | Thorsoee, K.S, Schlein, M, Brandt, J, Schluckebier, G, Naver, H. | Deposit date: | 2008-11-21 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic Evidence for the Sequential Association of Insulin Binding Sites 1 and 2 to the Insulin Receptor and the Influence of Receptor Isoform. Biochemistry, 49, 2010
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2V68
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![BU of 2v68 by Molmil](/molmil-images/mine/2v68) | Crystal structure of Chlamydomonas reinhardtii Rubisco with large- subunit mutations V331A, T342I | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Karkehabadi, S, Satagopan, S, Taylor, T.C, Spreitzer, R.J, Andersson, I. | Deposit date: | 2007-07-13 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Altered Large-Subunit Loop-6-Carboxy-Terminus Interactions that Influence Catalytic Efficiency and Co2 O2 Specificity of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase Biochemistry, 46, 2007
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2VJO
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![BU of 2vjo by Molmil](/molmil-images/mine/2vjo) | Formyl-CoA transferase mutant variant Q17A with aspartyl-CoA thioester intermediates and oxalate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, COENZYME A, ... | Authors: | Berthold, C.L, Toyota, C.G, Richards, N.G.J, Lindqvist, Y. | Deposit date: | 2007-12-11 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reinvestigation of the Catalytic Mechanism of Formyl-Coa Transferase, a Class III Coa-Transferase. J.Biol.Chem., 283, 2008
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2V3W
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![BU of 2v3w by Molmil](/molmil-images/mine/2v3w) | Crystal structure of the benzoylformate decarboxylase variant L461A from Pseudomonas putida | Descriptor: | BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Gocke, D, Walter, L, Gauchenova, K, Kolter, G, Knoll, M, Berthold, C.L, Schneider, G, Pleiss, J, Mueller, M, Pohl, M. | Deposit date: | 2007-06-25 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Protein Design of Thdp-Dependent Enzymes-Engineering Stereoselectivity. Chembiochem, 9, 2008
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2VBI
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2V9X
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![BU of 2v9x by Molmil](/molmil-images/mine/2v9x) | E138D variant of Escherichia coli dCTP deaminase in complex with dUTP | Descriptor: | DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Thymark, M, Johansson, E, Larsen, S, Willemoes, M. | Deposit date: | 2007-08-28 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutational Analysis of the Nucleotide Binding Site of Escherichia Coli Dctp Deaminase. Arch.Biochem.Biophys., 470, 2008
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