5B0U
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6SHV
| T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | Descriptor: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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3JUO
| Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | Descriptor: | 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B | Authors: | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | Deposit date: | 2009-09-15 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously Angew.Chem.Int.Ed.Engl., 48, 2009
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7W3D
| Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | Descriptor: | Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | Authors: | Park, T.H, Lee, B.I. | Deposit date: | 2021-11-25 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of BET specific bromodomain inhibitors with a novel scaffold. Bioorg.Med.Chem., 72, 2022
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5C8P
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3JUP
| Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (S)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | Descriptor: | 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B | Authors: | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | Deposit date: | 2009-09-15 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously Angew.Chem.Int.Ed.Engl., 48, 2009
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3C49
| Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948 | Descriptor: | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3 | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-29 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
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3C4H
| Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313 | Descriptor: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3 | Authors: | Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-30 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J.Med.Chem., 52, 2009
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2HE7
| FERM domain of EPB41L3 (DAL-1) | Descriptor: | Band 4.1-like protein 3 | Authors: | Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Schiavone, L.H, Johansson, I, Hogbom, M, Karlberg, T, Kotenyova, T, Nilvebrandt, J, Norberg, P, Stenmark, P, Nordlund, P, Nilsson-ehle, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Uppenberg, J, Van den berg, S, Weigelt, J, Persson, C, Thorsell, A.G, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-21 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B). J.Biol.Chem., 286, 2011
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2HSX
| NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus | Descriptor: | Leader protein; p65 homolog; NSP1 (EC 3.4.22.-) | Authors: | Almeida, M.S, Herrmann, T, Geralt, M, Johnson, M.A, Saikatendu, K, Joseph, J, Subramanian, R.C, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2006-07-24 | Release date: | 2007-02-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Novel beta-barrel fold in the nuclear magnetic resonance structure of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus. J.Virol., 81, 2007
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2RNK
| NMR structure of the domain 513-651 of the SARS-CoV nonstructural protein nsp3 | Descriptor: | Replicase polyprotein 1ab | Authors: | Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B.W, Wilson, I.A, Stevens, R.C, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2008-01-11 | Release date: | 2008-02-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold. J.Virol., 83, 2009
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1LZN
| NEUTRON STRUCTURE OF HEN EGG-WHITE LYSOZYME | Descriptor: | NITRATE ION, PROTEIN (LYSOZYME), SODIUM ION | Authors: | Bon, C.I, Lehmann, M.S, Wilkinson, C. | Deposit date: | 1999-03-23 | Release date: | 1999-04-01 | Last modified: | 2023-12-27 | Method: | NEUTRON DIFFRACTION (1.7 Å) | Cite: | Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme. Acta Crystallogr.,Sect.D, 55, 1999
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2SAK
| STAPHYLOKINASE (SAKSTAR VARIANT) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, STAPHYLOKINASE | Authors: | Rabijns, A, De Bondt, H.L, De Maeyer, M, Lasters, I, De Ranter, C. | Deposit date: | 1997-02-20 | Release date: | 1998-02-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of staphylokinase, a plasminogen activator with therapeutic potential. Nat.Struct.Biol., 4, 1997
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1DOH
| STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND 4-NITRO-INDEN-1-ONE | Descriptor: | 4-NITRO-INDEN-1-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIHYDROXYNAPHTHALENE REDUCTASE | Authors: | Liao, D.I, Basarab, G.S, Gatenby, A.A, Jordan, D.B. | Deposit date: | 1999-12-20 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis. Structure, 9, 2001
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5ZCZ
| Solution structure of the T. Thermophilus HB8 TTHA1718 protein in living eukaryotic cells by in-cell NMR spectroscopy | Descriptor: | Heavy metal binding protein | Authors: | Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y. | Deposit date: | 2018-02-22 | Release date: | 2019-08-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells. Angew.Chem.Int.Ed.Engl., 58, 2019
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5Z4B
| GB1 structure determination in living eukaryotic cells by in-cell NMR spectroscopy | Descriptor: | Protein LG | Authors: | Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y. | Deposit date: | 2018-01-10 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells. Angew.Chem.Int.Ed.Engl., 58, 2019
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3CEY
| Crystal structure of L3MBTL2 | Descriptor: | Lethal(3)malignant brain tumor-like 2 protein | Authors: | Nady, N, Guo, Y, Pan, P, Allali-Hassani, A, Qi, C, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Bochkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-29 | Release date: | 2008-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2. Nucleic Acids Res., 37, 2009
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3D8H
| Crystal structure of phosphoglycerate mutase from Cryptosporidium parvum, cgd7_4270 | Descriptor: | Glycolytic phosphoglycerate mutase | Authors: | Wernimont, A.K, Lew, J, Wasney, G, Alam, Z, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-23 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Characterization of a new phosphatase from Plasmodium. Mol.Biochem.Parasitol., 179, 2011
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3D8L
| Crystal structure of ORF12 from the lactococcus lactis bacteriophage p2 | Descriptor: | ORF12 | Authors: | Siponen, M.I, Spinelli, S, Lichiere, J, Moineau, S, Cambillau, C, Campanacci, V. | Deposit date: | 2008-05-23 | Release date: | 2009-04-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of ORF12 from Lactococcus lactis phage p2 identifies a tape measure protein chaperone J.Bacteriol., 191, 2009
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2VM6
| Human Bcl2-A1 in complex with Bim-BH3 peptide | Descriptor: | BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION | Authors: | Herman, M.D, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-23 | Release date: | 2008-02-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim. FEBS Lett., 582, 2008
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2VWY
| ephB4 kinase domain inhibitor complex | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | Deposit date: | 2008-06-30 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines. Bioorg.Med.Chem.Lett., 18, 2008
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1MHO
| THE 2.0 A STRUCTURE OF HOLO S100B FROM BOVINE BRAIN | Descriptor: | CALCIUM ION, S-100 PROTEIN | Authors: | Matsumura, H, Shiba, T, Inoue, T, Harada, S, Yasushi, K.A.I. | Deposit date: | 1997-09-11 | Release date: | 1998-11-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel mode of target recognition suggested by the 2.0 A structure of holo S100B from bovine brain. Structure, 6, 1998
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5ZNX
| Crystal structure of CM14-treated HlyU from Vibrio vulnificus | Descriptor: | Transcriptional activator | Authors: | Park, N, Kim, S, Jo, I, Ahn, J, Hong, S, Jeong, S, Baek, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | Small-molecule inhibitor of HlyU attenuates virulence of Vibrio species. Sci Rep, 9, 2019
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1FA2
| CRYSTAL STRUCTURE OF BETA-AMYLASE FROM SWEET POTATO | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-AMYLASE, alpha-D-glucopyranose-(1-4)-2-deoxy-beta-D-arabino-hexopyranose | Authors: | Lee, B.I, Cheong, C.G, Suh, S.W. | Deposit date: | 2000-07-12 | Release date: | 2000-08-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallization, molecular replacement solution, and refinement of tetrameric beta-amylase from sweet potato. Proteins, 21, 1995
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3CM0
| Crystal structure of adenylate kinase from Thermus thermophilus HB8 | Descriptor: | Adenylate kinase | Authors: | Nakagawa, N, Kondo, N, Masui, R, Matsuda, Z, Iwamoto, I, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-03-20 | Release date: | 2008-09-23 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of adenylate kinase from Thermus thermophilus HB8. To be Published
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