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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5MO3
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3OLU
 | | X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H murine COX-2 | | Descriptor: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vecchio, A.J, Malkowski, M.G. | | Deposit date: | 2010-08-26 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
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3R8Q
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4CPU
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]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: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4CPX
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of P1'-functionalized macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary alcohol.
J. Med. Chem., 57, 2014
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4CPW
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]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: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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2LZK
 | | NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing | | Descriptor: | (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | | Authors: | Tang, Y, Liu, Z, Ding, S, Lin, C.H, Cai, Y, Rodriguez, F.A, Sayer, J.M, Jerina, D.M, Amin, S, Broyde, S, Geacintov, N.E. | | Deposit date: | 2012-10-04 | | Release date: | 2012-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing.
Biochemistry, 51, 2012
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7YOI
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7U63
 | | Crystal Structure Anti-Oxycodone Antibody HY2-A12 Fab Complexed with Oxycodone | | Descriptor: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one, HY2-A12 Fab Heavy Chain, HY2-A12 Fab Light Chain | | Authors: | Rodarte, J.V, Pancera, M.P, Weidle, C, Rupert, P.B, Strong, R.K. | | Deposit date: | 2022-03-03 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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3C52
 | | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with phosphoglycolohydroxamic acid, a competitive inhibitor | | Descriptor: | CALCIUM ION, Fructose-bisphosphate aldolase, PHOSPHOGLYCOLOHYDROXAMIC ACID, ... | | Authors: | Coincon, M, Sygusch, J. | | Deposit date: | 2008-01-30 | | Release date: | 2008-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Biochemical Evaluation of Selective Inhibitors of Class II Fructose Bisphosphate Aldolases: Towards New Synthetic Antibiotics.
Chemistry, 14, 2008
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3C4U
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9F7W
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8Y46
 | | Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase bound to L-KDF or L-2,4-DKDF | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, L-2,4-diketo-3-deoxyfuconate, ... | | Authors: | Akagashi, M, Watanabe, S. | | Deposit date: | 2024-01-30 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase reveals a unique binding mode as a alpha-furanosyl hemiketal of substrates.
Sci Rep, 14, 2024
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9F1I
 | | Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen, target bound | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid, Heavy chain rabbit fab, ... | | Authors: | Halldorsson, S. | | Deposit date: | 2024-04-19 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
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1Q6K
 | | Cathepsin K complexed with t-butyl(1S)-1-cyclohexyl-2-oxoethylcarbamate | | Descriptor: | Cathepsin K, SULFATE ION, TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE | | Authors: | Catalano, J.G, Deaton, D.N, Furfine, E.S, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Willard, D.H, Wright, L.L. | | Deposit date: | 2003-08-13 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Exploration of the P1 SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
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5IUW
 | | Crystal Structure of Indole-3-acetaldehyde Dehydrogenase in complexed with NAD+ and IAA | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Aldehyde dehydrogenase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Lee, S.G, McClerklin, S, Kunkel, B, Jez, J.M. | | Deposit date: | 2016-03-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Indole-3-acetaldehyde dehydrogenase-dependent auxin synthesis contributes to virulence of Pseudomonas syringae strain DC3000.
PLoS Pathog., 14, 2018
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5J61
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5IUV
 | | Crystal Structure of Indole-3-acetaldehyde Dehydrogenase in complexed with NAD+ | | Descriptor: | Aldehyde dehydrogenase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Lee, S.G, McClerklin, S, Kunkel, B, Jez, J.M. | | Deposit date: | 2016-03-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.928 Å) | | Cite: | Indole-3-acetaldehyde dehydrogenase-dependent auxin synthesis contributes to virulence of Pseudomonas syringae strain DC3000.
PLoS Pathog., 14, 2018
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5M35
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1ZVB
 | | A structure-based mechanism of SARS virus membrane fusion | | Descriptor: | E2 glycoprotein | | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | | Deposit date: | 2005-06-01 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
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1ZWO
 | | NMR structure of murine gamma-S crystallin | | Descriptor: | Gamma crystallin S | | Authors: | Wu, Z, Delaglio, F, Wyatt, K, Wistow, G, Bax, A. | | Deposit date: | 2005-06-04 | | Release date: | 2005-07-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of (gamma)S-crystallin by molecular fragment replacement NMR.
Protein Sci., 14, 2005
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1ZV8
 | | A structure-based mechanism of SARS virus membrane fusion | | Descriptor: | ACETATE ION, CACODYLATE ION, E2 glycoprotein, ... | | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | | Deposit date: | 2005-06-01 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
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1ZWM
 | | NMR structure of murine gamma-S crystallin | | Descriptor: | Gamma crystallin S | | Authors: | Wu, Z, Delaglio, F, Wyatt, K, Wistow, G, Bax, A. | | Deposit date: | 2005-06-03 | | Release date: | 2005-07-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of (gamma)S-crystallin by molecular fragment replacement NMR.
Protein Sci., 14, 2005
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1ZSE
 | | RNA stemloop from bacteriophage Qbeta complexed with an N87S mutant MS2 Capsid | | Descriptor: | Coat protein, RNA HAIRPIN | | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | | Deposit date: | 2005-05-24 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2
Structure, 14, 2006
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