1G2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g2k by Molmil](/molmil-images/mine/1g2k) | HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 | Descriptor: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2000-10-20 | Release date: | 2001-06-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
|
|
1W5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1IKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ikx by Molmil](/molmil-images/mine/1ikx) | |
1IKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ikv by Molmil](/molmil-images/mine/1ikv) | K103N Mutant HIV-1 Reverse Transcriptase in Complex with Efivarenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2001-05-07 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant. Eur.J.Biochem., 269, 2002
|
|
2JCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jcy by Molmil](/molmil-images/mine/2jcy) | X-ray structure of mutant 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, 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 (2.35 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
|
|
1IKY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iky by Molmil](/molmil-images/mine/1iky) | HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194 | Descriptor: | 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA, POL POLYPROTEIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2001-05-07 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant. Eur.J.Biochem., 269, 2002
|
|
2JD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jd2 by Molmil](/molmil-images/mine/2jd2) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, 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 (2.15 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
|
|
2JCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jcv by Molmil](/molmil-images/mine/2jcv) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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 (2.2 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
|
|
2JCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jcx by Molmil](/molmil-images/mine/2jcx) | X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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 (2.1 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
|
|
2JD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2JD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jd1 by Molmil](/molmil-images/mine/2jd1) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese and NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
|
|
1IKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ikw by Molmil](/molmil-images/mine/1ikw) | Wild Type HIV-1 Reverse Transcriptase in Complex with Efavirenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2001-05-07 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant. Eur.J.Biochem., 269, 2002
|
|
2BNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bng by Molmil](/molmil-images/mine/2bng) | Structure of an M.tuberculosis LEH-like epoxide hydrolase | Descriptor: | CALCIUM ION, MB2760 | Authors: | Johansson, P, Arand, M, Unge, T, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2005-03-24 | Release date: | 2005-08-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of an Atypical Epoxide Hydrolase from Mycobacterium Tuberculosis Gives Insights Into its Function. J.Mol.Biol., 351, 2005
|
|
2BI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2B43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b43 by Molmil](/molmil-images/mine/2b43) | |
2YKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ykm by Molmil](/molmil-images/mine/2ykm) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | Descriptor: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | Deposit date: | 2011-05-28 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
|
|
2C8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1AJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ajx by Molmil](/molmil-images/mine/1ajx) | |
3CAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1AJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1EET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2CEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2C82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2CEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2CEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|