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1HAR
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2.2 ANGSTROMS RESOLUTION STRUCTURE OF THE AMINO-TERMINAL HALF OF HIV-1 REVERSE TRANSCRIPTASE (FINGERS AND PALM SUBDOMAINS)
Descriptor: HIV-1 REVERSE TRANSCRIPTASE (FINGERS AND PALM SUBDOMAINS)
Authors:Unge, T, Knight, S, Strandberg, B.
Deposit date:1994-10-28
Release date:1995-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 A resolution structure of the amino-terminal half of HIV-1 reverse transcriptase (fingers and palm subdomains).
Structure, 2, 1994
1EBY
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HIV-1 protease in complex with the inhibitor BEA369
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1D4H
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HIV-1 Protease in complex with the inhibitor BEA435
Descriptor: 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE, HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4I
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HIV-1 protease in complex with the inhibitor BEA425
Descriptor: 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE], HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4J
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BU of 1d4j by Molmil
HIV-1 protease in complex with the inhibitor MSL370
Descriptor: 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE, HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1EC1
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HIV-1 protease in complex with the inhibitor BEA409
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EBZ
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BU of 1ebz by Molmil
HIV-1 protease in complex with the inhibitor BEA388
Descriptor: HIV-1 PROTEASE, [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EBW
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HIV-1 protease in complex with the inhibitor BEA322
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EC0
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HIV-1 protease in complex with the inhibitor bea403
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 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
1EC2
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HIV-1 protease in complex with the inhibitor BEA428
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EC3
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BU of 1ec3 by Molmil
HIV-1 protease in complex with the inhibitor MSA367
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
2BQV
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BU of 2bqv by Molmil
HIV-1 protease in complex with inhibitor AHA455
Descriptor: 6-AMINO HEXANOIC ACID, HIV-1 PROTEASE
Authors:Unge, T, Ekegren, J.K, Schenk, H.V, Zreik Safa, M, Wallberg, H, Samuelsson, B, Hallberg, A.
Deposit date:2005-04-28
Release date:2005-12-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A New Class of HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimicking Scaffold.
J.Med.Chem., 48, 2005
1AJV
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BU of 1ajv by Molmil
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:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor.
J.Med.Chem., 40, 1997
1AJX
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BU of 1ajx by Molmil
HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC UREA INHIBITOR AHA001
Descriptor: AHA001, HIV-1 PROTEASE
Authors:Backbro, K, Unge, T.
Deposit date:1997-05-11
Release date:1997-09-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor.
J.Med.Chem., 40, 1997
3ZHZ
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BU of 3zhz by Molmil
Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, [(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid
Authors:Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2012-12-30
Release date:2013-10-09
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues.
J.Med.Chem., 56, 2013
3ZHY
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BU of 3zhy by Molmil
Structure of Mycobacterium tuberculosis DXR in complex with a di- substituted fosmidomycin analogue
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2012-12-30
Release date:2013-10-09
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues.
J.Med.Chem., 56, 2013
3ZI0
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BU of 3zi0 by Molmil
Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, [(1S)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid
Authors:Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2012-12-30
Release date:2013-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues.
J.Med.Chem., 56, 2013
3ZHX
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Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, [(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid
Authors:Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2012-12-30
Release date:2013-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues.
J.Med.Chem., 56, 2013
3JZ6
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BU of 3jz6 by Molmil
Crystal structure of Mycobacterium smegmatis Branched Chain Aminotransferase in complex with pyridoxal-5'-phosphate at 1.9 angstrom.
Descriptor: Branched-chain amino acid aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE
Authors:Castell, A, Mille, C, Unge, T.
Deposit date:2009-09-23
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of mycobacterial branched-chain aminotransferase: implications for inhibitor design.
Acta Crystallogr.,Sect.D, 66, 2010
2Y1G
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X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and manganese.
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1F
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BU of 2y1f by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH.
Descriptor: (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, ...
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1C
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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
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1D
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X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese.
Descriptor: (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1E
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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, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
3CAI
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BU of 3cai by Molmil
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
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