1KD8
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![BU of 1kd8 by Molmil](/molmil-images/mine/1kd8) | X-RAY STRUCTURE OF THE COILED COIL GCN4 ACID BASE HETERODIMER ACID-d12Ia16V BASE-d12La16L | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12Ia16V, GCN4 ACID BASE HETERODIMER BASE-d12La16L | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | Deposit date: | 2001-11-12 | Release date: | 2001-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils. Proc.Natl.Acad.Sci.USA, 98, 2001
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1KD9
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![BU of 1kd9 by Molmil](/molmil-images/mine/1kd9) | X-RAY STRUCTURE OF THE COILED COIL GCN4 ACID BASE HETERODIMER ACID-d12La16L BASE-d12La16L | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12La16L, GCN4 ACID BASE HETERODIMER BASE-d12La16L | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | Deposit date: | 2001-11-12 | Release date: | 2001-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils. Proc.Natl.Acad.Sci.USA, 98, 2001
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1KDD
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![BU of 1kdd by Molmil](/molmil-images/mine/1kdd) | X-ray structure of the coiled coil GCN4 ACID BASE HETERODIMER ACID-d12La16I BASE-d12La16L | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12La16I, GCN4 ACID BASE HETERODIMER BASE-d12La16L | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | Deposit date: | 2001-11-12 | Release date: | 2001-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils. Proc.Natl.Acad.Sci.USA, 98, 2001
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1RH4
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![BU of 1rh4 by Molmil](/molmil-images/mine/1rh4) | RH4 DESIGNED RIGHT-HANDED COILED COIL TETRAMER | Descriptor: | ISOPROPYL ALCOHOL, RIGHT-HANDED COILED COIL TETRAMER | Authors: | Harbury, P.B, Plecs, J.J, Tidor, B, Alber, T, Kim, P.S. | Deposit date: | 1998-10-07 | Release date: | 1998-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution protein design with backbone freedom. Science, 282, 1998
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1Q7O
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![BU of 1q7o by Molmil](/molmil-images/mine/1q7o) | Determination of f-MLF-OH Peptide Structure with solid-state magic-angle spinning NMR Spectroscopy | Descriptor: | chemotactic peptide | Authors: | Rienstra, C.M, Tucker-Kellogg, L, Jaroniec, C.P, Hohwy, M, Reif, B, McMahon, M.T, Tidor, B, Lozano-Perez, T, Griffin, R.G. | Deposit date: | 2003-08-19 | Release date: | 2003-09-09 | Last modified: | 2022-03-02 | Method: | SOLID-STATE NMR | Cite: | De novo determination of peptide structure with solid-state magic-angle spinning NMR Spectroscopy Proc.Natl.Acad.Sci.USA, 99, 2002
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1X9Q
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![BU of 1x9q by Molmil](/molmil-images/mine/1x9q) | 4m5.3 anti-fluorescein single chain antibody fragment (scFv) | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 4m5.3 anti-fluorescein single chain antibody fragment, ACETATE ION | Authors: | Midelfort, K.S, Hernandez, H.H, Lippow, S.M, Tidor, B, Drennan, C.L, Wittrup, K.D. | Deposit date: | 2004-08-24 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Substantial energetic improvement with minimal structural perturbation in a high affinity mutant antibody J.Mol.Biol., 343, 2004
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4DJP
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![BU of 4djp by Molmil](/molmil-images/mine/4djp) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP73 | Descriptor: | PHOSPHATE ION, Pol polyprotein, methyl (2S)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJR
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![BU of 4djr by Molmil](/molmil-images/mine/4djr) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97 | Descriptor: | PHOSPHATE ION, Pol polyprotein, [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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3O0G
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![BU of 3o0g by Molmil](/molmil-images/mine/3o0g) | Crystal Structure of Cdk5:p25 in complex with an ATP analogue | Descriptor: | Cell division protein kinase 5, Cyclin-dependent kinase 5 activator 1, {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone | Authors: | Mapelli, M. | Deposit date: | 2010-07-19 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Defining Cdk5 ligand chemical space with small molecule inhibitors of Tau phosphorylation Chem.Biol., 12, 2005
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3O9B
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![BU of 3o9b by Molmil](/molmil-images/mine/3o9b) | Crystal Structure of wild-type HIV-1 Protease in Complex with kd25 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, ACETATE ION, GLYCEROL, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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1TGG
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![BU of 1tgg by Molmil](/molmil-images/mine/1tgg) | RH3 DESIGNED RIGHT-HANDED COILED COIL TRIMER | Descriptor: | CHLORIDE ION, NICKEL (II) ION, right-handed coiled coil trimer | Authors: | Plecs, J.J, Harbury, P.B, Kim, P.S, Alber, T. | Deposit date: | 2004-05-28 | Release date: | 2004-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural test of the parameterized-backbone method for protein design J.Mol.Biol., 342, 2004
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4DJO
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![BU of 4djo by Molmil](/molmil-images/mine/4djo) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP56 | Descriptor: | 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, GLYCEROL, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJQ
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![BU of 4djq by Molmil](/molmil-images/mine/4djq) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP86 | Descriptor: | 2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, PHOSPHATE ION, Pol polyprotein | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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3GI6
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![BU of 3gi6 by Molmil](/molmil-images/mine/3gi6) | Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease | Descriptor: | (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2009-03-05 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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3GI4
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![BU of 3gi4 by Molmil](/molmil-images/mine/3gi4) | Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease | Descriptor: | 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide, ACETATE ION, PHOSPHATE ION, ... | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2009-03-05 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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3GI5
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![BU of 3gi5 by Molmil](/molmil-images/mine/3gi5) | Crystal structure of protease inhibitor, KB62 in complex with wild type HIV-1 protease | Descriptor: | (5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2009-03-05 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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2NXL
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![BU of 2nxl by Molmil](/molmil-images/mine/2nxl) | |
2NXM
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![BU of 2nxm by Molmil](/molmil-images/mine/2nxm) | |
2NXD
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![BU of 2nxd by Molmil](/molmil-images/mine/2nxd) | |
3O9C
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![BU of 3o9c by Molmil](/molmil-images/mine/3o9c) | Crystal Structure of wild-type HIV-1 Protease in complex with kd20 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Pol polyprotein | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9F
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![BU of 3o9f by Molmil](/molmil-images/mine/3o9f) | Crystal Structure of wild-type HIV-1 Protease in complex with kd27 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9G
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![BU of 3o9g by Molmil](/molmil-images/mine/3o9g) | Crystal Structure of wild-type HIV-1 Protease in complex with af53 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9H
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![BU of 3o9h by Molmil](/molmil-images/mine/3o9h) | Crystal Structure of wild-type HIV-1 Protease in complex with kd26 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, ACETATE ION, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9A
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![BU of 3o9a by Molmil](/molmil-images/mine/3o9a) | Crystal Structure of wild-type HIV-1 Protease in complex with kd14 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, PHOSPHATE ION, Pol polyprotein | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3O9E
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![BU of 3o9e by Molmil](/molmil-images/mine/3o9e) | Crystal Structure of wild-type HIV-1 Protease in complex with af60 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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