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1B6K
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BU of 1b6k by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5
Descriptor: N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE, RETROPEPSIN, SULFATE ION
Authors:Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6P
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BU of 1b6p by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7
Descriptor: N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE, RETROPEPSIN, SULFATE ION
Authors:Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1Z1H
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BU of 1z1h by Molmil
HIV-1 protease complexed with macrocyclic peptidomimetic inhibitor 3
Descriptor: N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE, Pol polyprotein, SULFATE ION
Authors:Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
Deposit date:2005-03-04
Release date:2005-03-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
1Z1R
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BU of 1z1r by Molmil
HIV-1 protease complexed with Macrocyclic peptidomimetic inhibitor 2
Descriptor: 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE, Pol polyprotein, SULFATE ION
Authors:Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
Deposit date:2005-03-06
Release date:2005-03-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
1B6M
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BU of 1b6m by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6
Descriptor: RETROPEPSIN, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
Authors:Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6J
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BU of 1b6j by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1
Descriptor: CYCLIC PEPTIDE INHIBITOR, RETROPEPSIN, SULFATE ION
Authors:Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6L
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BU of 1b6l by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4
Descriptor: 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE, RETROPEPSIN, SULFATE ION
Authors:Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1HNN
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BU of 1hnn by Molmil
CRYSTAL STRUCTURE OF HUMAN PNMT COMPLEXED WITH SK&F 29661 AND ADOHCY(SAH)
Descriptor: 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE, PHENYLETHANOLAMINE N-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Martin, J.L, Begun, J, McLeish, M.J, Caine, J.M, Grunewald, G.L.
Deposit date:2000-12-07
Release date:2001-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Getting the adrenaline going: crystal structure of the adrenaline-synthesizing enzyme PNMT.
Structure, 9, 2001
1IK9
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BU of 1ik9 by Molmil
CRYSTAL STRUCTURE OF A XRCC4-DNA LIGASE IV COMPLEX
Descriptor: DNA LIGASE IV, DNA REPAIR PROTEIN XRCC4
Authors:Sibanda, B.L, Critchlow, S.E, Begun, J, Pei, X.Y, Jackson, S.P, Blundell, T.L, Pellegrini, L.
Deposit date:2001-05-03
Release date:2001-11-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of an Xrcc4-DNA ligase IV complex.
Nat.Struct.Biol., 8, 2001
1MTR
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BU of 1mtr by Molmil
HIV-1 PROTEASE COMPLEXED WITH A CYCLIC PHE-ILE-VAL PEPTIDOMIMETIC INHIBITOR
Descriptor: HIV-1 PROTEASE, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
Authors:Wickramasinghe, W, Begun, J, Martin, J.L.
Deposit date:1996-02-15
Release date:1996-08-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate-based cyclic peptidomimetics of Phe-Ile-Val that inhibit HIV-1 protease using a novel enzyme-binding mode.
J.Am.Chem.Soc., 118, 1996
6T5I
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BU of 6t5i by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2
Descriptor: DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ...
Authors:Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E.
Deposit date:2019-10-16
Release date:2021-10-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
4THI
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BU of 4thi by Molmil
THIAMINASE I FROM BACILLUS THIAMINOLYTICUS WITH COVALENTLY BOUND 4-AMINO-2,5-DIMETHYLPYRIMIDINE
Descriptor: 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, PROTEIN (THIAMINASE I), SULFATE ION
Authors:Campobasso, N, Begley, T.P, Ealick, S.E.
Deposit date:1998-10-05
Release date:1998-10-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998
1D4L
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BU of 1d4l by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1D4K
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BU of 1d4k by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
2THI
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BU of 2thi by Molmil
THIAMINASE I FROM BACILLUS THIAMINOLYTICUS
Descriptor: SULFATE ION, THIAMINASE I
Authors:Campobasso, N, Begley, T.P, Ealick, S.E.
Deposit date:1998-09-17
Release date:1999-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998
3BXS
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BU of 3bxs by Molmil
Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
Descriptor: (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid, Protease, SULFATE ION
Authors:Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L.
Deposit date:2008-01-14
Release date:2008-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
3BXR
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BU of 3bxr by Molmil
Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
Descriptor: (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide, Protease, SULFATE ION
Authors:Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L.
Deposit date:2008-01-14
Release date:2008-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
3THI
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BU of 3thi by Molmil
THIAMINASE I FROM BACILLUS THIAMINOLYTICUS
Descriptor: PROTEIN (THIAMINASE I), SULFATE ION
Authors:Campobasso, N, Begley, T.P, Ealick, S.E.
Deposit date:1998-10-04
Release date:1998-10-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998

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