3GOS
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![BU of 3gos by Molmil](/molmil-images/mine/3gos) | The crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Yersinia pestis CO92 | Descriptor: | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, MAGNESIUM ION | Authors: | Zhang, R, Maltseva, N, Kwon, K, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-03-19 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Yersinia pestis CO92 To be Published
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5V0K
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![BU of 5v0k by Molmil](/molmil-images/mine/5v0k) | RNA duplex with 2-MeImpG analogue bound-3 binding sites | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*C)-3') | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-02-28 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | RNA duplex with 2-MeImpG analogue bound-3 binding sites To Be Published
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3GR4
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![BU of 3gr4 by Molmil](/molmil-images/mine/3gr4) | Activator-Bound Structure of Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2 to be published
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3GCB
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![BU of 3gcb by Molmil](/molmil-images/mine/3gcb) | GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A/DELTAK454 | Descriptor: | GAL6, GLYCEROL, SULFATE ION | Authors: | Joshua-Tor, L, Zheng, W, Johnston, S.A. | Deposit date: | 1998-02-27 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase. Cell(Cambridge,Mass.), 93, 1998
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4TWZ
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![BU of 4twz by Molmil](/molmil-images/mine/4twz) | Crystal Structure Analysis of E Coli. RecA Protein | Descriptor: | MAGNESIUM ION, Protein RecA | Authors: | Hikima, T, Hiraki, T, Furuse, M, Ikawa, S, Iwasaki, W, Shibata, T, Kamiya, N. | Deposit date: | 2014-07-02 | Release date: | 2015-07-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Loop L1 governs the DNA-binding specificity and order for RecA-catalyzed reactions in homologous recombination and DNA repair Nucleic Acids Res., 43, 2015
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5UX3
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![BU of 5ux3 by Molmil](/molmil-images/mine/5ux3) | |
5ZHI
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![BU of 5zhi by Molmil](/molmil-images/mine/5zhi) | Apo crystal structure of TrmD from Mycobacterium tuberculosis | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5VAO
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![BU of 5vao by Molmil](/molmil-images/mine/5vao) | Crystal structure of eVP30 C-terminus and eNP peptide | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | XU, W, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2017-03-27 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis. Nat Commun, 8, 2017
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5ZHM
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![BU of 5zhm by Molmil](/molmil-images/mine/5zhm) | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | Descriptor: | N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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4TV3
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![BU of 4tv3 by Molmil](/molmil-images/mine/4tv3) | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | Descriptor: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | Deposit date: | 2014-06-25 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design. Protein Sci., 23, 2014
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2H2P
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![BU of 2h2p by Molmil](/molmil-images/mine/2h2p) | |
3G42
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![BU of 3g42 by Molmil](/molmil-images/mine/3g42) | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | Descriptor: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | Authors: | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | Deposit date: | 2009-02-03 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem., 17, 2009
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4U13
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![BU of 4u13 by Molmil](/molmil-images/mine/4u13) | Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution | Descriptor: | putative polyketide cyclase SMa1630 | Authors: | Shabalin, I.G, Bacal, P, Osinski, T, Cooper, D.R, Szlachta, K, Stead, M, Grabowski, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-07-14 | Release date: | 2014-09-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution to be published
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2KCC
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![BU of 2kcc by Molmil](/molmil-images/mine/2kcc) | Solution Structure of biotinoyl domain from human acetyl-CoA carboxylase 2 | Descriptor: | Acetyl-CoA carboxylase 2 | Authors: | Lee, C, Cheong, H, Ryu, K, Lee, J, Lee, W, Jeon, Y, Cheong, C. | Deposit date: | 2008-12-19 | Release date: | 2009-02-17 | Last modified: | 2023-09-27 | Method: | SOLUTION NMR | Cite: | Biotinoyl domain of human acetyl-CoA carboxylase: Structural insights into the carboxyl transfer mechanism. Proteins, 72, 2008
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5UVL
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![BU of 5uvl by Molmil](/molmil-images/mine/5uvl) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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8H9Z
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![BU of 8h9z by Molmil](/molmil-images/mine/8h9z) | Annexin A5 protein mutant | Descriptor: | Annexin A5, CALCIUM ION | Authors: | Hua, Z.C, Tang, W. | Deposit date: | 2022-10-26 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | structure dissection of the membrane aggregation mechanism induced by Annexin A5 mutation To Be Published
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2H4G
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![BU of 2h4g by Molmil](/molmil-images/mine/2h4g) | Crystal structure of PTP1B with monocyclic thiophene inhibitor | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Wan, Z.-K. | Deposit date: | 2006-05-24 | Release date: | 2006-08-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48. Bioorg.Med.Chem.Lett., 16, 2006
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3GF7
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![BU of 3gf7 by Molmil](/molmil-images/mine/3gf7) | Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum apoprotein | Descriptor: | Glutaconyl-CoA decarboxylase subunit A, SULFATE ION | Authors: | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | Deposit date: | 2009-02-26 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases J.Biol.Chem., 284, 2009
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4U82
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![BU of 4u82 by Molmil](/molmil-images/mine/4u82) | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | Descriptor: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2014-07-31 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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4U86
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![BU of 4u86 by Molmil](/molmil-images/mine/4u86) | Human Pin1 with cysteine sulfonic acid 113 | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Li, W, Zhang, Y. | Deposit date: | 2014-08-01 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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2H4X
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8H4F
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![BU of 8h4f by Molmil](/molmil-images/mine/8h4f) | Blasnase-T13A/P55F with D-asn | Descriptor: | D-ASPARAGINE, FORMIC ACID, L-asparaginase, ... | Authors: | Lu, F, Wang, W, Chi, H, Ran, T. | Deposit date: | 2022-10-10 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme To Be Published
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4U8G
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![BU of 4u8g by Molmil](/molmil-images/mine/4u8g) | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae | Descriptor: | Putative uncharacterized protein gbs1891 | Authors: | Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-03 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE. J.Biol.Chem., 290, 2015
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5Z1Q
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![BU of 5z1q by Molmil](/molmil-images/mine/5z1q) | Crystal structures of the trimeric N-terminal domain of Ciliate Euplotes octocarinatus Centrin | Descriptor: | CALCIUM ION, CHLORIDE ION, Centrin protein | Authors: | Wang, W, Zhao, Y, Yang, B, Wang, H. | Deposit date: | 2017-12-27 | Release date: | 2018-04-25 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the trimeric N-terminal domain of ciliate Euplotes octocarinatus centrin binding with calcium ions Protein Sci., 27, 2018
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2GQ4
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![BU of 2gq4 by Molmil](/molmil-images/mine/2gq4) | Crystal structure of an RNA racemate | Descriptor: | CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ... | Authors: | Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A. | Deposit date: | 2006-04-20 | Release date: | 2006-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The first crystal structure of an RNA racemate. Acta Crystallogr.,Sect.D, 62, 2006
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