2JD0
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![BU of 2jd0 by Molmil](/molmil-images/mine/2jd0) | X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2007-01-04 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
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1USL
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![BU of 1usl by Molmil](/molmil-images/mine/1usl) | Structure Of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, Complexed With Phosphate. | Descriptor: | PHOSPHATE ION, RIBOSE 5-PHOSPHATE ISOMERASE B | Authors: | Roos, A.K, Andersson, C.E, Unge, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2003-11-25 | Release date: | 2004-01-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase Has a Known Fold, But a Novel Active Site J.Mol.Biol., 335, 2004
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2BI0
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![BU of 2bi0 by Molmil](/molmil-images/mine/2bi0) | RV0216, A conserved hypothetical protein from Mycobacterium tuberculosis that is essential for bacterial survival during infection, has a double hotdogfold | Descriptor: | CHLORIDE ION, HYPOTHETICAL PROTEIN RV0216 | Authors: | Castell, A, Johansson, P, Unge, T, Jones, T.A, Backbro, K. | Deposit date: | 2005-01-20 | Release date: | 2005-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rv0216, a Conserved Hypothetical Protein from Mycobacterium Tuberculosis that is Essential for Bacterial Survival During Infection, Has a Double Hotdog Fold Protein Sci., 14, 2005
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2B43
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2CEN
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![BU of 2cen by Molmil](/molmil-images/mine/2cen) | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | POL PROTEIN, {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-08 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold. J.Med.Chem., 49, 2006
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2C8T
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![BU of 2c8t by Molmil](/molmil-images/mine/2c8t) | The 3.0 A Resolution Structure of Caseinolytic Clp Protease 1 from Mycobacterium tuberculosis | Descriptor: | ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 | Authors: | Ingvarsson, H, Hogbom, M, Jones, T.A, Unge, T. | Deposit date: | 2005-12-07 | Release date: | 2007-02-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights Into the Inter-Ring Plasticity of Caseinolytic Proteases from the X-Ray Structure of Mycobacterium Tuberculosis Clpp1. Acta Crystallogr.,Sect.D, 63, 2007
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1W6I
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![BU of 1w6i by Molmil](/molmil-images/mine/1w6i) | plasmepsin II-pepstatin A complex | Descriptor: | PEPSTATIN, PLASMEPSIN 2 PRECURSOR | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-18 | Release date: | 2006-07-05 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design To be Published
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1W74
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![BU of 1w74 by Molmil](/molmil-images/mine/1w74) | X-ray structure of peptidyl-prolyl cis-trans isomerase A, PpiA, Rv0009, from Mycobacterium tuberculosis. | Descriptor: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Henriksson, L.M, Johansson, P, Unge, T, Mowbray, S.L. | Deposit date: | 2004-08-27 | Release date: | 2004-10-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-Ray Structure of Peptidyl-Prolyl Cis-Trans Isomerase a from Mycobacterium Tuberculosis Eur.J.Biochem., 271, 2004
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1W5V
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![BU of 1w5v by Molmil](/molmil-images/mine/1w5v) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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1W6H
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![BU of 1w6h by Molmil](/molmil-images/mine/1w6h) | Novel plasmepsin II-inhibitor complex | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-18 | Release date: | 2006-07-05 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design To be Published
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1W5Y
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![BU of 1w5y by Molmil](/molmil-images/mine/1w5y) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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1W5X
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![BU of 1w5x by Molmil](/molmil-images/mine/1w5x) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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1W5W
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![BU of 1w5w by Molmil](/molmil-images/mine/1w5w) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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1AJX
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![BU of 1ajx by Molmil](/molmil-images/mine/1ajx) | |
1EET
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![BU of 1eet by Molmil](/molmil-images/mine/1eet) | HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 | Descriptor: | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K. | Deposit date: | 2000-02-03 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues. J.Med.Chem., 42, 1999
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1AJV
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![BU of 1ajv by Molmil](/molmil-images/mine/1ajv) | HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006 | Descriptor: | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | Authors: | Backbro, K, Unge, T. | Deposit date: | 1997-05-11 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor. J.Med.Chem., 40, 1997
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3CAI
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![BU of 3cai by Molmil](/molmil-images/mine/3cai) | Crystal structure of Mycobacterium tuberculosis Rv3778c protein | Descriptor: | POSSIBLE AMINOTRANSFERASE | Authors: | Covarrubias, A.S, Larsson, A.M, Jones, T.A, Bergfors, T, Mowbray, S.L, Unge, T. | Deposit date: | 2008-02-20 | Release date: | 2008-03-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and biochemical function studies of Mycobacterium tuberculosis essential protein Rv3778c To be published
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2VG7
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![BU of 2vg7 by Molmil](/molmil-images/mine/2vg7) | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | Deposit date: | 2007-11-08 | Release date: | 2007-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors. Biochem.Biophys.Res.Commun., 365, 2008
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3DTG
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![BU of 3dtg by Molmil](/molmil-images/mine/3dtg) | |
3DTF
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2CEM
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![BU of 2cem by Molmil](/molmil-images/mine/2cem) | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | POL PROTEIN, {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-08 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold. J.Med.Chem., 49, 2006
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2C82
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![BU of 2c82 by Molmil](/molmil-images/mine/2c82) | X-Ray Structure Of 1-Deoxy-D-xylulose 5-phosphate Reductoisomerase, DXR, Rv2870c, From Mycobacterium tuberculosis | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, SULFATE ION | Authors: | Henriksson, L.M, Bjorkelid, C, Mowbray, S.L, Unge, T. | Deposit date: | 2005-11-30 | Release date: | 2006-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.9 A Resolution Structure of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, a Potential Drug Target. Acta Crystallogr.,Sect.D, 62, 2006
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2CEJ
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![BU of 2cej by Molmil](/molmil-images/mine/2cej) | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, POL PROTEIN | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-07 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold J.Med.Chem., 49, 2006
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6FFW
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![BU of 6ffw by Molmil](/molmil-images/mine/6ffw) | Phosphotriesterase PTE_A53_5 | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-01-09 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Phosphotriesterase
PTE_A53_5 To Be Published
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6FQE
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![BU of 6fqe by Molmil](/molmil-images/mine/6fqe) | Phosphotriesterase PTE_A53_4 | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Phosphotriesterase
PTE_A53_4 To Be Published
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