7LMV
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![BU of 7lmv by Molmil](/molmil-images/mine/7lmv) | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-05 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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1CRZ
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![BU of 1crz by Molmil](/molmil-images/mine/1crz) | CRYSTAL STRUCTURE OF THE E. COLI TOLB PROTEIN | Descriptor: | TOLB PROTEIN | Authors: | Abergel, C, Bouveret, E, Claverie, J.-M, Brown, K, Rigal, A, Lazdunski, C, Benedetti, H. | Deposit date: | 1999-08-16 | Release date: | 2000-08-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the Escherichia coli TolB protein determined by MAD methods at 1.95 A resolution. Structure Fold.Des., 7, 1999
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2ETS
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![BU of 2ets by Molmil](/molmil-images/mine/2ets) | |
2F46
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![BU of 2f46 by Molmil](/molmil-images/mine/2f46) | |
2F8G
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![BU of 2f8g by Molmil](/molmil-images/mine/2f8g) | HIV-1 protease mutant I50V complexed with inhibitor TMC114 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2005-12-02 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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2F80
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![BU of 2f80 by Molmil](/molmil-images/mine/2f80) | HIV-1 Protease mutant D30N complexed with inhibitor TMC114 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, POL POLYPROTEIN, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2005-12-01 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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2F81
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![BU of 2f81 by Molmil](/molmil-images/mine/2f81) | HIV-1 Protease mutant L90M complexed with inhibitor TMC114 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2005-12-01 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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1JV4
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![BU of 1jv4 by Molmil](/molmil-images/mine/1jv4) | Crystal structure of recombinant major mouse urinary protein (rmup) at 1.75 A resolution | Descriptor: | 2-(SEC-BUTYL)THIAZOLE, CADMIUM ION, Major urinary protein 2 | Authors: | Kuser, P.R, Franzoni, L, Ferrari, E, Spisni, A, Polikarpov, I. | Deposit date: | 2001-08-28 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The X-ray structure of a recombinant major urinary protein at 1.75 A resolution. A comparative study of X-ray and NMR-derived structures. Acta Crystallogr.,Sect.D, 57, 2001
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3H0N
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![BU of 3h0n by Molmil](/molmil-images/mine/3h0n) | |
7DN9
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![BU of 7dn9 by Molmil](/molmil-images/mine/7dn9) | |
7DN8
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![BU of 7dn8 by Molmil](/molmil-images/mine/7dn8) | Crystal structure of Salmonella effector SopF in complex with ARF1 | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ding, J, Shao, F. | Deposit date: | 2020-12-09 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6084 Å) | Cite: | ARF GTPases activate Salmonella effector SopF to ADP-ribosylate host V-ATPase and inhibit endomembrane damage-induced autophagy. Nat.Struct.Mol.Biol., 29, 2022
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7E53
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![BU of 7e53 by Molmil](/molmil-images/mine/7e53) | |
2J5B
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![BU of 2j5b by Molmil](/molmil-images/mine/2j5b) | Structure of the Tyrosyl tRNA synthetase from Acanthamoeba polyphaga Mimivirus complexed with tyrosynol | Descriptor: | 4-[(2S)-2-amino-3-hydroxypropyl]phenol, TYROSYL-TRNA SYNTHETASE | Authors: | Abergel, C, Rudinger-thirion, J, Giege, R, Claverie, J.M. | Deposit date: | 2006-09-13 | Release date: | 2007-09-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Virus-Encoded Aminoacyl-tRNA Synthetases: Structural and Functional Characterization of Mimivirus Tyrrs and Metrs. J.Virol., 81, 2007
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3EQX
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![BU of 3eqx by Molmil](/molmil-images/mine/3eqx) | |
3H50
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![BU of 3h50 by Molmil](/molmil-images/mine/3h50) | |
3NG7
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![BU of 3ng7 by Molmil](/molmil-images/mine/3ng7) | |
3K7M
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![BU of 3k7m by Molmil](/molmil-images/mine/3k7m) | Crystal structure of 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2009-10-13 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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3K7T
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![BU of 3k7t by Molmil](/molmil-images/mine/3k7t) | Crystal structure of apo-form 6-hydroxy-L-nicotine oxidase, crystal form P3121 | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2009-10-13 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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3HYB
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![BU of 3hyb by Molmil](/molmil-images/mine/3hyb) | |
3K7Q
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![BU of 3k7q by Molmil](/molmil-images/mine/3k7q) | Crystal structure of substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, 6-hydroxy-L-nicotine oxidase, ... | Authors: | Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2009-10-13 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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3CYW
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![BU of 3cyw by Molmil](/molmil-images/mine/3cyw) | Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-04-27 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1Y
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![BU of 3d1y by Molmil](/molmil-images/mine/3d1y) | Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 Protease, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-05-06 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3CYX
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![BU of 3cyx by Molmil](/molmil-images/mine/3cyx) | Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-04-27 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1Z
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![BU of 3d1z by Molmil](/molmil-images/mine/3d1z) | Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | Deposit date: | 2008-05-07 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1X
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![BU of 3d1x by Molmil](/molmil-images/mine/3d1x) | Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-05-06 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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