6A9F
 
 | | Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one | | Descriptor: | 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-13 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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5YVL
 | | Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-11-26 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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6B73
 | | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | | Deposit date: | 2017-10-03 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
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1BDV
 | | ARC FV10 COCRYSTAL | | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*AP*TP*AP*GP*AP*AP*GP*CP*AP*CP*TP*CP*TP*AP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*TP*AP*GP*AP*GP*TP*GP*CP*TP*TP*CP*TP*AP*TP*CP*AP*T)-3'), PROTEIN (ARC FV10 REPRESSOR) | | Authors: | Schildbach, J.F, Karzai, A.W, Raumann, B.E, Sauer, R.T. | | Deposit date: | 1998-05-11 | | Release date: | 1999-01-06 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Origins of DNA-binding specificity: role of protein contacts with the DNA backbone.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1BAZ
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1C8W
 | | THR45GLY VARIANT OF RIBONUCLEASE A | | Descriptor: | ACETATE ION, CHLORIDE ION, PROTEIN (Ribonuclease A) | | Authors: | Kelemen, B.R, Sweeney, R.T, Schultz, L.W, Raines, R.T. | | Deposit date: | 1999-07-30 | | Release date: | 2002-05-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Excavating an active site: the nucleobase specificity of ribonuclease A.
Biochemistry, 39, 2000
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1BDT
 | | WILD TYPE GENE-REGULATING PROTEIN ARC/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*AP*TP*AP*GP*AP*AP*GP*CP*AP*CP*TP*CP*TP*AP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*TP*AP*GP*AP*GP*TP*GP*CP*TP*TP*CP*TP*AP*TP*CP*AP*T)-3'), PROTEIN (GENE-REGULATING PROTEIN ARC) | | Authors: | Schilbach, J.F, Karzai, A.W, Raumann, B.E, Sauer, R.T. | | Deposit date: | 1998-05-11 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Origins of DNA-binding specificity: role of protein contacts with the DNA backbone.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1B28
 | | ARC REPRESSOR MYL MUTANT FROM SALMONELLA BACTERIOPHAGE P22 | | Descriptor: | PROTEIN (REGULATORY PROTEIN ARC) | | Authors: | Rietveld, A.W.M, Nooren, I.M.A, Sauer, R.T, Kaptein, R, Boelens, R. | | Deposit date: | 1998-12-05 | | Release date: | 1999-11-03 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The solution structure and dynamics of an Arc repressor mutant reveal premelting conformational changes related to DNA binding.
Biochemistry, 38, 1999
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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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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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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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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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1X6P
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2ZT7
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2ZT6
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1X6Z
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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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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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1X6Q
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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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