1LF6
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![BU of 1lf6 by Molmil](/molmil-images/mine/1lf6) | CRYSTAL STRUCTURE OF BACTERIAL GLUCOAMYLASE | Descriptor: | SULFATE ION, glucoamylase | Authors: | Aleshin, A.E, Feng, P.-H, Honzatko, R.B, Reilly, P.J. | Deposit date: | 2002-04-10 | Release date: | 2003-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and evolution of prokaryotic glucoamylase J.Mol.Biol., 327, 2003
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3WDK
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![BU of 3wdk by Molmil](/molmil-images/mine/3wdk) | Crystal structure of 4-phosphopantoate-beta-alanine ligase complexed with reaction intermediate | Descriptor: | 4-phosphopantoate--beta-alanine ligase, 5'-O-[(S)-hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine, CITRATE ANION | Authors: | Kishimoto, A, Kita, A, Ishibashi, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | Deposit date: | 2013-06-19 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of phosphopantothenate synthetase from Thermococcus kodakarensis Proteins, 82, 2014
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3WDM
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![BU of 3wdm by Molmil](/molmil-images/mine/3wdm) | Crystal structure of 4-phosphopantoate-beta-alanine ligase from Thermococcus kodakarensis | Descriptor: | 4-phosphopantoate--beta-alanine ligase, ADENOSINE | Authors: | Kishimoto, A, Kita, A, Ishibashi, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | Deposit date: | 2013-06-19 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of phosphopantothenate synthetase from Thermococcus kodakarensis Proteins, 82, 2014
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3WDL
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![BU of 3wdl by Molmil](/molmil-images/mine/3wdl) | Crystal structure of 4-phosphopantoate-beta-alanine ligase complexed with ATP | Descriptor: | 4-phosphopantoate--beta-alanine ligase, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Kishimoto, A, Kita, A, Ishibashi, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | Deposit date: | 2013-06-19 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of phosphopantothenate synthetase from Thermococcus kodakarensis Proteins, 82, 2014
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3W31
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![BU of 3w31 by Molmil](/molmil-images/mine/3w31) | Structual basis for the recognition of Ubc13 by the Shigella flexneri effector OspI | Descriptor: | IODIDE ION, ORF169b, Ubiquitin-conjugating enzyme E2 N | Authors: | Nishide, A, Kim, M, Takagi, K, Sasakawa, C, Mizushima, T. | Deposit date: | 2012-12-07 | Release date: | 2013-03-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Structural basis for the recognition of Ubc13 by the Shigella flexneri effector OspI. J.Mol.Biol., 425, 2013
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3WWN
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![BU of 3wwn by Molmil](/molmil-images/mine/3wwn) | Crystal structure of LysZ from Thermus thermophilus complex with LysW | Descriptor: | OrfF, Putative acetylglutamate kinase-like protein, SULFATE ION, ... | Authors: | Yoshida, A, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2014-06-21 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into amino group-carrier protein-mediated lysine biosynthesis: crystal structure of the LysZ·LysW complex from Thermus thermophilus. J.Biol.Chem., 290, 2015
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3WWM
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![BU of 3wwm by Molmil](/molmil-images/mine/3wwm) | Crystal structure of LysZ from Thermus thermophilus with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Putative acetylglutamate kinase-like protein | Authors: | Yoshida, A, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2014-06-21 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insight into amino group-carrier protein-mediated lysine biosynthesis: crystal structure of the LysZ·LysW complex from Thermus thermophilus. J.Biol.Chem., 290, 2015
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3W30
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![BU of 3w30 by Molmil](/molmil-images/mine/3w30) | Structual basis for the recognition of Ubc13 by the Shigella flexneri effector OspI | Descriptor: | ORF169b | Authors: | Nishide, A, Kim, M, Takagi, K, Sasakawa, C, Mizushima, T. | Deposit date: | 2012-12-07 | Release date: | 2013-03-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural Basis for the Recognition of Ubc13 by the Shigella flexneri Effector OspI. J.Mol.Biol., 425, 2013
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3WWL
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![BU of 3wwl by Molmil](/molmil-images/mine/3wwl) | Crystal structure of lysine biosynthetic amino acid carrier protein LysW from Thermus thermophilus conjugated with alpha-aminoadipate | Descriptor: | Alpha-aminoadipate carrier protein LysW, ZINC ION | Authors: | Yoshida, A, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2014-06-21 | Release date: | 2014-11-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural insight into amino group-carrier protein-mediated lysine biosynthesis: crystal structure of the LysZ·LysW complex from Thermus thermophilus. J.Biol.Chem., 290, 2015
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7VVR
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![BU of 7vvr by Molmil](/molmil-images/mine/7vvr) | Bovine cytochrome c oxidese in CN-bound mixed valence state at 50 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Tsukihara, T. | Deposit date: | 2021-11-08 | Release date: | 2022-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons. J.Biol.Chem., 299, 2023
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7VUW
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![BU of 7vuw by Molmil](/molmil-images/mine/7vuw) | Bovine heart cytochrome c oxidase in the cyanide-bound fully oxidized state at 50 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Tsukihara, T. | Deposit date: | 2021-11-04 | Release date: | 2022-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons. J.Biol.Chem., 299, 2023
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5ZCP
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![BU of 5zcp by Molmil](/molmil-images/mine/5zcp) | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 2 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-02-19 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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5Z86
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![BU of 5z86 by Molmil](/molmil-images/mine/5z86) | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 3 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-01-31 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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5ZCQ
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![BU of 5zcq by Molmil](/molmil-images/mine/5zcq) | Azide-bound cytochrome c oxidase structure determined using the crystals exposed to 10 mM azide solution for 2 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-02-19 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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5ZCO
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![BU of 5zco by Molmil](/molmil-images/mine/5zco) | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 2 mM azide solution for 2 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-02-19 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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5Z84
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![BU of 5z84 by Molmil](/molmil-images/mine/5z84) | The structure of azide-bound cytochrome c oxidase determined using the crystals exposed to 20 mM azide solution for 4 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-01-31 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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7XGO
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![BU of 7xgo by Molmil](/molmil-images/mine/7xgo) | Human renin in complex with compound2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-08-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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7XGK
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![BU of 7xgk by Molmil](/molmil-images/mine/7xgk) | Human renin in complex with compound1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-08-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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7XGP
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![BU of 7xgp by Molmil](/molmil-images/mine/7xgp) | Human renin in complex with compound3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-09-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor. J.Med.Chem., 65, 2022
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3WDN
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![BU of 3wdn by Molmil](/molmil-images/mine/3wdn) | |
3ZPS
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![BU of 3zps by Molmil](/molmil-images/mine/3zps) | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | Deposit date: | 2013-03-01 | Release date: | 2013-11-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors. J.Med.Chem., 56, 2013
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3ZPU
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![BU of 3zpu by Molmil](/molmil-images/mine/3zpu) | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | Deposit date: | 2013-03-01 | Release date: | 2013-11-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors J.Med.Chem., 56, 2013
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3ZPT
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![BU of 3zpt by Molmil](/molmil-images/mine/3zpt) | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | Deposit date: | 2013-03-01 | Release date: | 2013-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors J.Med.Chem., 56, 2013
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3ZZZ
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![BU of 3zzz by Molmil](/molmil-images/mine/3zzz) | |
3ZZY
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![BU of 3zzy by Molmil](/molmil-images/mine/3zzy) | |