2YIW
 
 | | triazolopyridine inhibitors of p38 kinase | | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefamiak, M.H, Yeadon, M. | | Deposit date: | 2011-05-17 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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3VNI
 | | Crystal structures of D-Psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars | | Descriptor: | MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | | Authors: | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | | Deposit date: | 2012-01-16 | | Release date: | 2012-08-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
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2YIS
 | | triazolopyridine inhibitors of p38 kinase. | | Descriptor: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | | Deposit date: | 2011-05-16 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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2ZB4
 | | Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADP and 15-keto-PGE2 | | Descriptor: | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 2, ... | | Authors: | Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M. | | Deposit date: | 2007-10-16 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Structure, 16, 2008
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2ZCM
 | | Crystal structure of IcaR, a repressor of the TetR family | | Descriptor: | Biofilm operon icaABCD HTH-type negative transcriptional regulator icaR | | Authors: | Jeng, W.Y, Ko, T.P, Liu, C.I, Guo, R.T, Shr, H.L, Wang, A.H.J. | | Deposit date: | 2007-11-10 | | Release date: | 2008-02-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Crystal structure of IcaR, a repressor of the TetR family implicated in biofilm formation in Staphylococcus epidermidis
Nucleic Acids Res., 36, 2008
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2ZB3
 | | Crystal structure of mouse 15-ketoprostaglandin delta-13-reductase in complex with NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 2 | | Authors: | Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M. | | Deposit date: | 2007-10-16 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Structure, 16, 2008
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2ZCN
 | | Crystal structure of IcaR, a repressor of the TetR family | | Descriptor: | Biofilm operon icaABCD HTH-type negative transcriptional regulator icaR | | Authors: | Jeng, W.Y, Ko, T.P, Liu, C.I, Guo, R.T, Liu, C.L, Wang, A.H.J. | | Deposit date: | 2007-11-10 | | Release date: | 2008-02-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of IcaR, a repressor of the TetR family implicated in biofilm formation in Staphylococcus epidermidis
Nucleic Acids Res., 36, 2008
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2ZB8
 | | Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADP and indomethacin | | Descriptor: | INDOMETHACIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 2, ... | | Authors: | Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M. | | Deposit date: | 2007-10-16 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Structure, 16, 2008
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2XPH
 | | Crystal structure of human SENP1 with the bound cobalt | | Descriptor: | COBALT (II) ION, GLYCEROL, SENTRIN-SPECIFIC PROTEASE 1 | | Authors: | Rimsa, V, Eadsforth, T, Hay, R.T, Hunter, W.N. | | Deposit date: | 2010-08-26 | | Release date: | 2010-09-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Role of Co2+ in the Crystallization of Human Senp1 and Comments on the Limitations of Automated Refinement Protocols
Acta Crystallogr.,Sect.F, 67, 2011
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2XOG
 | | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A | | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC | | Authors: | Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R. | | Deposit date: | 2010-08-16 | | Release date: | 2011-01-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
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1A7A
 | | STRUCTURE OF HUMAN PLACENTAL S-ADENOSYLHOMOCYSTEINE HYDROLASE: DETERMINATION OF A 30 SELENIUM ATOM SUBSTRUCTURE FROM DATA AT A SINGLE WAVELENGTH | | Descriptor: | (1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE HYDROLASE | | Authors: | Turner, M.A, Yuan, C.-S, Borchardt, R.T, Hershfield, M.S, Smith, G.D, Howell, P.L. | | Deposit date: | 1998-03-10 | | Release date: | 1999-04-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure determination of selenomethionyl S-adenosylhomocysteine hydrolase using data at a single wavelength.
Nat.Struct.Biol., 5, 1998
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2X9E
 | | HUMAN MPS1 IN COMPLEX WITH NMS-P715 | | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | Authors: | Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J. | | Deposit date: | 2010-03-17 | | Release date: | 2010-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
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3W01
 | | Crystal structure of PcrB complexed with PEG from Staphylococcus aureus subsp. aureus Mu3 | | Descriptor: | Heptaprenylglyceryl phosphate synthase, TRIETHYLENE GLYCOL | | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
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1B69
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2ZT5
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2ZT7
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2ZB7
 | | Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADPH and nicotinamide | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, Prostaglandin reductase 2 | | Authors: | Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M. | | Deposit date: | 2007-10-16 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Structure, 16, 2008
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2ZT6
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2ZEV
 | | S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715 | | Descriptor: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ... | | Authors: | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-12-17 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
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1BB8
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2YIE
 | | Crystal structure of a F. nucleatum FMN riboswitch bound to FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN RIBOSWITCH, MAGNESIUM ION, ... | | Authors: | Vicens, Q, Mondragon, E, Batey, R.T. | | Deposit date: | 2011-05-12 | | Release date: | 2011-08-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.941 Å) | | Cite: | Molecular Sensing by the Aptamer Domain of the Fmn Riboswitch: A General Model for Ligand Binding by Conformational Selection
Nucleic Acids Res., 39, 2011
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2YIF
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3VNJ
 | | Crystal structures of D-Psicose 3-epimerase with D-psicose from Clostridium cellulolyticum H10 | | Descriptor: | D-psicose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | | Authors: | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | | Deposit date: | 2012-01-16 | | Release date: | 2012-08-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
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2YNI
 | | HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-15 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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1BTJ
 | | HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE, APO FORM, CRYSTAL FORM 2 | | Descriptor: | PROTEIN (SERUM TRANSFERRIN) | | Authors: | Jeffrey, P.D, Bewley, M.C, Macgillivray, R.T.A, Mason, A.B, Woodworth, R.C, Baker, E.N. | | Deposit date: | 1998-09-01 | | Release date: | 1999-01-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Ligand-induced conformational change in transferrins: crystal structure of the open form of the N-terminal half-molecule of human transferrin.
Biochemistry, 37, 1998
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