4UHQ
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![BU of 4uhq by Molmil](/molmil-images/mine/4uhq) | Crystal structure of the pyocin AP41 DNase | Descriptor: | CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION | Authors: | Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C. | Deposit date: | 2015-03-25 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa J.Mol.Biol., 427, 2015
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5X19
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![BU of 5x19 by Molmil](/molmil-images/mine/5x19) | CO bound cytochrome c oxidase at 100 micro sec after pump laser irradiation to release CO from O2 reduction center | 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, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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5X1F
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![BU of 5x1f by Molmil](/molmil-images/mine/5x1f) | CO bound cytochrome c oxidase without pump laser irradiation at 278K | 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, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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5X1B
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![BU of 5x1b by Molmil](/molmil-images/mine/5x1b) | CO bound cytochrome c oxidase at 20 nsec after pump laser irradiation to release CO from O2 reduction center | 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, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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4UHP
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![BU of 4uhp by Molmil](/molmil-images/mine/4uhp) | Crystal structure of the pyocin AP41 DNase-Immunity complex | Descriptor: | BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41 | Authors: | Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C. | Deposit date: | 2015-03-25 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa J.Mol.Biol., 427, 2015
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6Y4C
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![BU of 6y4c by Molmil](/molmil-images/mine/6y4c) | Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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6Y2N
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![BU of 6y2n by Molmil](/molmil-images/mine/6y2n) | Crystal structure of ribonucleotide reductase R2 subunit solved by serial synchrotron crystallography | Descriptor: | FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase subunit beta | Authors: | Shilova, A, Lebrette, H, Aurelius, O, Hogbom, M, Mueller, U. | Deposit date: | 2020-02-17 | Release date: | 2020-10-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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3IZ2
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![BU of 3iz2 by Molmil](/molmil-images/mine/3iz2) | C-alpha model fitted into the EM structure of Cx26M34Adel2-7 | Descriptor: | Gap junction beta-2 protein | Authors: | Oshima, A, Tani, K, Toloue, M.M, Hiroaki, Y, Smock, A, Inukai, S, Cone, A, Nicholson, B.J, Sosinsky, G.E, Fujiyoshi, Y. | Deposit date: | 2010-08-19 | Release date: | 2010-11-03 | Last modified: | 2024-02-21 | Method: | ELECTRON CRYSTALLOGRAPHY (10 Å) | Cite: | Asymmetric configurations and N-terminal rearrangements in connexin26 gap junction channels. J.Mol.Biol., 405, 2011
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3IZ1
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![BU of 3iz1 by Molmil](/molmil-images/mine/3iz1) | C-alpha model fitted into the EM structure of Cx26M34A | Descriptor: | Gap junction beta-2 protein | Authors: | Oshima, A, Tani, K, Toloue, M.M, Hiroaki, Y, Smock, A, Inukai, S, Cone, A, Nicholson, B.J, Sosinsky, G.E, Fujiyoshi, Y. | Deposit date: | 2010-08-19 | Release date: | 2010-11-03 | Last modified: | 2024-02-21 | Method: | ELECTRON CRYSTALLOGRAPHY (6 Å) | Cite: | Asymmetric configurations and N-terminal rearrangements in connexin26 gap junction channels. J.Mol.Biol., 405, 2011
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5KH1
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![BU of 5kh1 by Molmil](/molmil-images/mine/5kh1) | |
8LPR
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![BU of 8lpr by Molmil](/molmil-images/mine/8lpr) | |
6WPP
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![BU of 6wpp by Molmil](/molmil-images/mine/6wpp) | HUMAN NIK IN COMPLEX WITH LIGAND COMPOUND X | Descriptor: | 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Shih, A.Y, Hack, M, Mirzadegan, T. | Deposit date: | 2020-04-27 | Release date: | 2020-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Impact of Protein Preparation on Resulting Accuracy of FEP Calculations. J.Chem.Inf.Model., 60, 2020
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4XZF
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![BU of 4xzf by Molmil](/molmil-images/mine/4xzf) | Crystal structure of HIRAN domain of human HLTF in complex with DNA | Descriptor: | (DA)(DC)(DC)(DG)(DC)(DC)(DG)(DG)(DG)(DT)(DG)(DC)(DC), Helicase-like transcription factor | Authors: | Hishiki, A, Hashimoto, H. | Deposit date: | 2015-02-04 | Release date: | 2015-04-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance J.Biol.Chem., 290, 2015
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4S0P
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![BU of 4s0p by Molmil](/molmil-images/mine/4s0p) | |
4S0O
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![BU of 4s0o by Molmil](/molmil-images/mine/4s0o) | |
6RW3
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![BU of 6rw3 by Molmil](/molmil-images/mine/6rw3) | The molecular basis for sugar import in malaria parasites. | Descriptor: | Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose | Authors: | Qureshi, A, Matsuoka, R, Brock, J, Drew, D. | Deposit date: | 2019-06-03 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | The molecular basis for sugar import in malaria parasites. Nature, 578, 2020
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6EFR
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![BU of 6efr by Molmil](/molmil-images/mine/6efr) | Crystal Structure of iNicSnFR 1.0 | Descriptor: | iNicSnFR 1.0, a genetically encoded nicotine biosensor,Green fluorescent protein | Authors: | Shivange, A.V, Borden, P.M. | Deposit date: | 2018-08-17 | Release date: | 2019-01-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nicotinic Drugs in the Endoplasmic Reticulum: Beginning the Inside-out Pathway of Addiction and Therapy J.Gen.Physiol., 2019
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8WAG
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![BU of 8wag by Molmil](/molmil-images/mine/8wag) | Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1 | Descriptor: | Protein CHUP1, chloroplastic | Authors: | Shimada, A, Nakamura, Y, Takano, A, Kohda, D. | Deposit date: | 2023-09-07 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement. Plant Cell, 36, 2024
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8WAF
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![BU of 8waf by Molmil](/molmil-images/mine/8waf) | Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1 | Descriptor: | Protein CHUP1, chloroplastic | Authors: | Shimada, A, Takano, A, Nakamura, Y, Kohda, D. | Deposit date: | 2023-09-07 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement. Plant Cell, 36, 2024
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4BYJ
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![BU of 4byj by Molmil](/molmil-images/mine/4byj) | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | Descriptor: | (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | Deposit date: | 2013-07-19 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells. J.Med.Chem., 56, 2013
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4BYI
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![BU of 4byi by Molmil](/molmil-images/mine/4byi) | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | Descriptor: | (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | Deposit date: | 2013-07-19 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells. J.Med.Chem., 56, 2013
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1AGM
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![BU of 1agm by Molmil](/molmil-images/mine/1agm) | Refined structure for the complex of acarbose with glucoamylase from Aspergillus awamori var. x100 to 2.4 angstroms resolution | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | Authors: | Aleshin, A.E, Firsov, L.M, Honzatko, R.B. | Deposit date: | 1994-05-13 | Release date: | 1994-09-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined structure for the complex of acarbose with glucoamylase from Aspergillus awamori var. X100 to 2.4-A resolution. J.Biol.Chem., 269, 1994
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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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