3R5P
| Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | Descriptor: | Deazaflavin-dependent nitroreductase, SULFATE ION | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-19 | Release date: | 2012-01-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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6MEI
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7JT9
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1SRQ
| Crystal Structure of the Rap1GAP catalytic domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GTPase-activating protein 1, SULFATE ION | Authors: | Daumke, O, Weyand, M, Chakrabarti, P.P, Vetter, I.R, Wittinghofer, A. | Deposit date: | 2004-03-23 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The GTPase activating protein Rap1GAP uses a catalytic asparagine Nature, 429, 2004
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1SXR
| Drosophila Peptidoglycan Recognition Protein (PGRP)-SA | Descriptor: | 1,2-ETHANEDIOL, Peptidoglycan recognition protein SA CG11709-PA, SULFATE ION | Authors: | Reiser, J.B, Teyton, L, Wilson, I.A. | Deposit date: | 2004-03-31 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structure of the Drosophila peptidoglycan recognition protein (PGRP)-SA at 1.56 A resolution J.Mol.Biol., 340, 2004
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6KB6
| X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by delipidation and cross-seeding | Descriptor: | 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.431 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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3RIE
| The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | Authors: | Williams, M, Sprenger, J, Persson, L, Louw, A.I, Birkholtz, L, Al-Karadaghi, S. | Deposit date: | 2011-04-13 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail. Malar J, 14, 2015
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7KYR
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1T8Q
| Structural genomics, Crystal structure of Glycerophosphoryl diester phosphodiesterase from E. coli | Descriptor: | GLYCEROL, Glycerophosphoryl diester phosphodiesterase, periplasmic, ... | Authors: | Zhang, R, Kim, Y, Dementieva, I, Duke, N, Stols, L, Donnelly, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-05-13 | Release date: | 2004-08-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of Glycerophosphoryl diester phosphodiesterase from E. coli To be Published
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3TG0
| E. coli alkaline phosphatase with bound inorganic phosphate | Descriptor: | Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Bobyr, E, Lassila, J.K, Wiersma-Koch, H.I, Fenn, T.D, Lee, J.J, Nikolic-Hughes, I, Hodgson, K.O, Rees, D.C, Hedman, B, Herschlag, D. | Deposit date: | 2011-08-16 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution analysis of Zn(2+) coordination in the alkaline phosphatase superfamily by EXAFS and x-ray crystallography. J.Mol.Biol., 415, 2012
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6BKM
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2FGJ
| Crystal structure of the ABC-cassette H662A mutant of HlyB with bound ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | Deposit date: | 2005-12-22 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer. Embo J., 25, 2006
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6KDK
| HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dCTP ternary complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | Deposit date: | 2019-07-02 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
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7L3Y
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2OXU
| Uninhibited form of human MMP-12 | Descriptor: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | Deposit date: | 2007-02-21 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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1ZBA
| Foot-and-Mouth Disease virus serotype A1061 complexed with oligosaccharide receptor. | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Coat protein VP1, Coat protein VP2, ... | Authors: | Fry, E.E, Newman, J.W, Curry, S, Najjam, S, Jackson, T, Blakemore, W, Lea, S.M, Miller, L, Burman, A, King, A.M, Stuart, D.I. | Deposit date: | 2005-04-08 | Release date: | 2005-06-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Foot-and-mouth disease virus serotype A1061 alone and complexed with oligosaccharide receptor: receptor conservation in the face of antigenic variation. J.Gen.Virol., 86, 2005
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2P0D
| ArhGAP9 PH domain in complex with Ins(1,4,5)P3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rho GTPase-activating protein 9 | Authors: | Ceccarelli, D.F.J, Blasutig, I, Goudreault, M, Ruston, J, Pawson, T, Sicheri, F. | Deposit date: | 2007-02-28 | Release date: | 2007-03-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Non-canonical Interaction of Phosphoinositides with Pleckstrin Homology Domains of Tiam1 and ArhGAP9. J.Biol.Chem., 282, 2007
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2P3B
| Crystal Structure of the subtype B wild type HIV protease complexed with TL-3 inhibitor | Descriptor: | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | Deposit date: | 2007-03-08 | Release date: | 2007-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development. J.Mol.Biol., 369, 2007
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1ZG9
| Crystal Structure of 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B | Descriptor: | 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID, ZINC ION, procarboxypeptidase B | Authors: | Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M. | Deposit date: | 2005-04-20 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b. Biochemistry, 44, 2005
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2FGK
| Crystal structure of the ABC-cassette E631Q mutant of HlyB with bound ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | Deposit date: | 2005-12-22 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer. Embo J., 25, 2006
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1ZGH
| Methionyl-tRNA formyltransferase from Clostridium thermocellum | Descriptor: | Methionyl-tRNA formyltransferase, UNKNOWN ATOM OR ION | Authors: | Yang, H, Kataeva, I, Xu, H, Zhao, M, Chang, J, Liu, Z, Chen, L, Tempel, W, Habel, J, Zhou, W, Lee, D, Lin, D, Chang, S, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Wang, B, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-04-21 | Release date: | 2005-05-03 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Methionyl-tRNA formyltransferase from Clostridium thermocellum To be published
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6B4N
| a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors involving the P2' ligands | Descriptor: | CHLORIDE ION, Protease, SODIUM ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-09-27 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir. ChemMedChem, 12, 2017
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1UJW
| Structure of the complex between BtuB and Colicin E3 Receptor binding domain | Descriptor: | 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 3-OXO-PENTADECANOIC ACID, ACETOACETIC ACID, ... | Authors: | Kurisu, G, Zakharov, S.D, Zhalnina, M.V, Bano, S, Eroukova, V.Y, Rokitskaya, T.I, Antonenko, Y.N, Wiener, M.C, Cramer, W.A. | Deposit date: | 2003-08-12 | Release date: | 2003-11-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The structure of BtuB with bound colicin E3 R-domain implies a translocon NAT.STRUCT.BIOL., 10, 2003
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1V6X
| Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 3(3)-4-O-methyl-alpha-D-glucuronosyl-xylotriose | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ENDO-1,4-BETA-D-XYLANASE, beta-D-xylopyranose, ... | Authors: | Fujimoto, Z, Kaneko, S, Kuno, A, Kobayashi, H, Kusakabe, I, Mizuno, H. | Deposit date: | 2003-12-04 | Release date: | 2004-04-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of decorated xylooligosaccharides bound to a family 10 xylanase from Streptomyces olivaceoviridis E-86 J.Biol.Chem., 279, 2004
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7KVN
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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