2I07
| Human Complement Component C3b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3b, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Janssen, B.J.C, Christodoulidou, A, McCarthy, A, Lambris, J.D, Gros, P. | Deposit date: | 2006-08-10 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structure of C3b reveals conformational changes that underlie complement activity. Nature, 444, 2006
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5HPB
| human dihydrofolate reductase complex with NADPH and 5-methyl-6-(phenylthio-4'trifluoromethyl)thieno[2,3-d]pyrimidine-2,4-diamine | Descriptor: | 5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V, Ganjee, A. | Deposit date: | 2016-01-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Human dihydrofolate reductase ternary complex with a series offluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines To Be Published
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4KP5
| Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2013-05-13 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
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2I4I
| Crystal Structure of human DEAD-box RNA helicase DDX3X | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DDX3X | Authors: | Hogbom, M, Karlberg, T, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2006-08-22 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Conserved Domains 1 and 2 of the Human DEAD-box Helicase DDX3X in Complex with the Mononucleotide AMP J.Mol.Biol., 372, 2007
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2F4Q
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2H1N
| 3.0 A X-ray structure of putative oligoendopeptidase F: crystals grown by vapor diffusion technique | Descriptor: | Oligoendopeptidase F, UNKNOWN LIGAND, ZINC ION | Authors: | Gerdts, C.J, Tereshko, V, Dementieva, I, Collart, F, Joachimiak, A, Kossiakoff, A, Ismagilov, R.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-05-16 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Time-Controlled Microfluidic Seeding in nL-Volume Droplets To Separate Nucleation and Growth Stages of Protein Crystallization. Angew.Chem.Int.Ed.Engl., 45, 2006
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2Y41
| Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - complex with IPM and MN | Descriptor: | 3-ISOPROPYLMALATE DEHYDROGENASE, 3-ISOPROPYLMALIC ACID, MANGANESE (II) ION | Authors: | Graczer, E, merlin, A, Singh, R.K, Manikandan, K, Zavodsky, P, Weiss, M.S, Vas, M. | Deposit date: | 2011-01-04 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Atomic Level Description of the Domain Closure in a Dimeric Enzyme: Thermus Thermophilus 3-Isopropylmalate Dehydrogenase. Mol.Biosyst., 7, 2011
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3TUD
| Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide | Descriptor: | N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK | Authors: | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | Deposit date: | 2011-09-16 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Identification of Type-II Inhibitors Using Kinase Structures. Chem.Biol.Drug Des., 80, 2012
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2Q24
| Crystal structure of TetR transcriptional regulator SCO0520 from Streptomyces coelicolor | Descriptor: | ACETATE ION, CHLORIDE ION, Putative tetR family transcriptional regulator | Authors: | Cymborowski, M, Chruszcz, M, Koclega, K.D, Filippova, E.V, Xu, X, Gu, J, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-05-25 | Release date: | 2007-07-03 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a putative transcriptional regulator SCO0520 from Streptomyces coelicolor A3(2) reveals an unusual dimer among TetR family proteins. J.Struct.Funct.Genom., 12, 2011
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2GJA
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1AT9
| STRUCTURE OF BACTERIORHODOPSIN AT 3.0 ANGSTROM DETERMINED BY ELECTRON CRYSTALLOGRAPHY | Descriptor: | BACTERIORHODOPSIN, RETINAL | Authors: | Kimura, Y, Vassylyev, D.G, Miyazawa, A, Kidera, A, Matsushima, M, Mitsuoka, K, Murata, K, Hirai, T, Fujiyoshi, Y. | Deposit date: | 1997-08-20 | Release date: | 1998-09-16 | Last modified: | 2024-06-05 | Method: | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | Cite: | Surface of bacteriorhodopsin revealed by high-resolution electron crystallography. Nature, 389, 1997
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4KAV
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3FQ4
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1B3Z
| XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOPENTAOSE | Descriptor: | PROTEIN (XYLANASE), beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose, ... | Authors: | Schmidt, A, Kratky, C. | Deposit date: | 1998-12-15 | Release date: | 1999-04-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Xylan binding subsite mapping in the xylanase from Penicillium simplicissimum using xylooligosaccharides as cryo-protectant. Biochemistry, 38, 1999
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3U12
| The pleckstrin homology (PH) domain of USP37 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | Authors: | Dong, A, Nair, U.B, Wernimont, A, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-29 | Release date: | 2011-11-09 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The pleckstrin homology (PH) domain of USP37 To be Published
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4KNJ
| Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2013-05-10 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
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3U98
| Human Thrombin In Complex With MI001 | Descriptor: | (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-10-18 | Release date: | 2012-10-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thrombin Inhibition To be Published
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1Z9V
| Solution Structure of MTH0776 from Methanobacterium thermoautotrophicum (strain H) | Descriptor: | conserved hypothetical protein MTH0776 | Authors: | Amegbey, G, Stothard, P, Iakounine, A, Yee, A, Arrowsmith, C.H, Wishart, D.S. | Deposit date: | 2005-04-04 | Release date: | 2005-11-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structure of MTH0776 from Methanobacterium Thermoautotrophicum. J.Biomol.Nmr, 33, 2005
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5DQ2
| Endothiapepsin in complex with fragment 48 | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | Deposit date: | 2015-09-14 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.514 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5DR4
| Endothiapepsin in complex with fragment 231 | Descriptor: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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3F2O
| Crystal Structure of human splA/ryanodine receptor domain and SOCS box containing 1 (SPSB1) in complex with a 20-residue VASA peptide | Descriptor: | 20-mer peptide from ATP-dependent RNA helicase vasa, SPRY domain-containing SOCS box protein 1 | Authors: | Filippakopoulos, P, Sharpe, T, Keates, T, Murray, J.W, Savitsky, P, Roos, A, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-30 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for Par-4 recognition by the SPRY domain- and SOCS box-containing proteins SPSB1, SPSB2, and SPSB4. J.Mol.Biol., 401, 2010
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5TNT
| Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, ... | Authors: | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, A, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | Deposit date: | 2016-10-14 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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2H7Q
| Cytochrome P450cam complexed with imidazole | Descriptor: | Cytochrome P450-cam, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Verras, A, Alian, A, Montellano, P.R. | Deposit date: | 2006-06-02 | Release date: | 2006-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation. Protein Eng.Des.Sel., 19, 2006
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4GTA
| T. Maritima FDTS with FAD, dUMP, and Folinic Acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | Deposit date: | 2012-08-28 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Folate binding site of flavin-dependent thymidylate synthase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTF
| T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | Deposit date: | 2012-08-28 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Folate binding site of flavin-dependent thymidylate synthase. Proc.Natl.Acad.Sci.USA, 109, 2012
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