2VIZ
 
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(2-oxo- 1-pyrrolidinyl)-5-(propyloxy)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
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2V5R
 | | Structural basis for Dscam isoform specificity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DSCAM, GLYCEROL | | Authors: | Meijers, R, Puettmann-Holgado, R, Skiniotis, G, Liu, J.-H, Walz, T, Schmucker, D, Wang, J.-H. | | Deposit date: | 2007-07-09 | | Release date: | 2007-09-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis of Dscam Isoform Specificity
Nature, 449, 2007
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2VEY
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2VJ6
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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6YW2
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1D1N
 | | SOLUTION STRUCTURE OF THE FMET-TRNAFMET BINDING DOMAIN OF BECILLUS STEAROTHERMOPHILLUS TRANSLATION INITIATION FACTOR IF2 | | Descriptor: | INITIATION FACTOR 2 | | Authors: | Meunier, S, Spurio, S, Czisch, M, Wechselberger, R, Gueunneugues, M. | | Deposit date: | 1999-09-20 | | Release date: | 2000-09-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the fMet-tRNA(fMet)-binding domain of B. stearothermophilus initiation factor IF2.
EMBO J., 19, 2000
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1D2M
 | | UVRB PROTEIN OF THERMUS THERMOPHILUS HB8; A NUCLEOTIDE EXCISION REPAIR ENZYME | | Descriptor: | EXCINUCLEASE ABC SUBUNIT B, SULFATE ION, octyl beta-D-glucopyranoside | | Authors: | Nakagawa, N, Sugahara, M, Masui, R, Kato, R, Fukuyama, K, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 1999-09-25 | | Release date: | 2000-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Thermus thermophilus HB8 UvrB protein, a key enzyme of nucleotide excision repair.
J.Biochem.(Tokyo), 126, 1999
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3ZHO
 | | X-ray structure of E.coli Wrba in complex with FMN at 1.2 A resolution | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVOPROTEIN WRBA | | Authors: | Kishko, I, Lapkouski, M, Brynda, J, Kuty, M, Carey, J, Smatanova, I.K, Ettrich, R. | | Deposit date: | 2012-12-23 | | Release date: | 2013-08-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 1.2 A Resolution Crystal Structure of Escherichia Coli Wrba Holoprotein
Acta Crystallogr.,Sect.D, 69, 2013
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8AXH
 | | Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Mucin-1 subunit alpha, ... | | Authors: | Bermejo, I, Corzana, F, Hurtado-Guerrero, R. | | Deposit date: | 2022-08-31 | | Release date: | 2023-08-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses.
Jacs Au, 4, 2024
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2VKC
 | | Solution structure of the B3BP Smr domain | | Descriptor: | NEDD4-BINDING PROTEIN 2 | | Authors: | Diercks, T, Ab, E, Daniels, M.A, deJong, R.N, Besseling, R, Kaptein, R, Folkers, G.E. | | Deposit date: | 2007-12-18 | | Release date: | 2008-10-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Characterization of the DNA- Binding Activity of the B3BP-Smr Domain.
J.Mol.Biol., 383, 2008
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2VLD
 | | crystal structure of a repair endonuclease from Pyrococcus abyssi | | Descriptor: | Endonuclease NucS | | Authors: | Ren, B, Kuhn, J, Meslet-Cladiere, L, Briffotaux, J, Norais, C, Lavigne, R, Flament, D, Ladenstein, R, Myllykallio, H. | | Deposit date: | 2008-01-14 | | Release date: | 2009-05-19 | | Last modified: | 2018-09-26 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and function of a novel endonuclease acting on branched DNA substrates.
EMBO J., 28, 2009
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2VEW
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2V5S
 | | Structural basis for Dscam isoform specificity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DSCAM | | Authors: | Meijers, R, Puettmann-Holgado, R, Skiniotis, G, Liu, J.-H, Walz, T, Schmucker, D, Wang, J.-H. | | Deposit date: | 2007-07-09 | | Release date: | 2007-09-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Dscam Isoform Specificity
Nature, 449, 2007
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2V5M
 | | Structural basis for Dscam isoform specificity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DSCAM, GLYCEROL | | Authors: | Meijers, R, Puettmann-Holgado, R, Skiniotis, G, Liu, J.-H, Walz, T, Schmucker, D, Wang, J.-H. | | Deposit date: | 2007-07-06 | | Release date: | 2007-09-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis of Dscam Isoform Specificity
Nature, 449, 2007
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2VDE
 | | Crystal Structure of the Open State of TolC Outer Membrane Component of Mutlidrug Efflux Pumps | | Descriptor: | CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC | | Authors: | Bavro, V.N, Pietras, Z, Furnham, N, Perez-Cano, L, Fernandez-Recio, J, Pei, X.Y, Truer, R, Misra, R, Luisi, B. | | Deposit date: | 2007-10-04 | | Release date: | 2008-04-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Assembly and Channel Opening in a Bacterial Drug Efflux Machine.
Mol.Cell, 30, 2008
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2VEX
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | MAGNESIUM ION, N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2VJ9
 | | Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-07 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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3UQD
 | | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with substrates and products | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase isozyme 2, ... | | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Babul, J. | | Deposit date: | 2011-11-20 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Studying the phosphoryl transfer mechanism of theE. coliphosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations.
Chem Sci, 10, 2019
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6ASG
 | | Crystal structure of Thermus thermophilus RNA polymerase core enzyme | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, Y, Lin, W, Ying, R, Ebright, R.H. | | Deposit date: | 2017-08-24 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
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5V8K
 | | Homodimeric reaction center of H. modesticaldum | | Descriptor: | 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ... | | Authors: | Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R. | | Deposit date: | 2017-03-22 | | Release date: | 2017-09-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a symmetric photosynthetic reaction center-photosystem.
Science, 357, 2017
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6YVX
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287 | | Descriptor: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ... | | Authors: | Chowdhury, R, Banerji, B, Schofield, C.J. | | Deposit date: | 2020-04-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
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1A4U
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6YW4
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2V8O
 | | Structure of the Murray Valley encephalitis virus RNA helicase to 1. 9A resolution | | Descriptor: | FLAVIVIRIN PROTEASE NS3 | | Authors: | Mancini, E.J, Assenberg, R, Verma, A, Walter, T.S, Tuma, R, Grimes, J.M, Owens, R.J, Stuart, D.I. | | Deposit date: | 2007-08-09 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Murray Valley Encephalitis Virus RNA Helicase at 1.9 A Resolution.
Protein Sci., 16, 2007
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7YWQ
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