6UCX
| S2 symmetric peptide design number 1, Wednesday | Descriptor: | S2-1, Wednesday, trifluoroacetic acid | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2021-07-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UDZ
| S2 symmetric peptide design number 4 crystal form 1, Pugsley | Descriptor: | S2-4, Pusgley crystal form 1, trifluoroacetic acid | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-20 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UCY
| Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K | Descriptor: | 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UD9
| S2 symmetric peptide design number 2, Morticia | Descriptor: | S2-2, Morticia | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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3G72
| Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | Descriptor: | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | Deposit date: | 2009-02-09 | Release date: | 2009-06-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors J.Med.Chem., 52, 2009
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3G7S
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3G5D
| Kinase domain of cSrc in complex with Dasatinib | Descriptor: | GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Grutter, C, Kluter, S, Rauh, D. | Deposit date: | 2009-02-05 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc J.Med.Chem., 52, 2009
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3GCV
| Human P38 MAP Kinase in Complex with RL62 | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3GGI
| Locating monovalent cations in one turn of G/C rich B-DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, THALLIUM (I) ION | Authors: | Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D. | Deposit date: | 2009-02-28 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Locating monovalent cations in one turn of G/C rich B-DNA To be Published
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6TSO
| Marasmius oreades agglutinin (MOA) inhibited by cadmium | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CADMIUM ION, ... | Authors: | Cordara, G, Manna, D, Krengel, U. | Deposit date: | 2019-12-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti . Curr Res Struct Biol, 2, 2020
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6TSW
| Isometric capsid of empty GTA particle computed with I4(I,n25r) symmetry | Descriptor: | Major capsid protein Rcc01687 | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | Deposit date: | 2019-12-21 | Release date: | 2020-07-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent. Nat Commun, 11, 2020
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6TU1
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091) | Descriptor: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-31 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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3FV6
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3FZ7
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3GA9
| Crystal structure of Bacillus anthracis transpeptidase enzyme CapD, crystal form II | Descriptor: | Capsule biosynthesis protein capD, GLUTAMIC ACID | Authors: | Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A. | Deposit date: | 2009-02-16 | Release date: | 2009-06-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD. J.Biol.Chem., 284, 2009
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6TBA
| Virion of native gene transfer agent (GTA) particle | Descriptor: | IRON/SULFUR CLUSTER, Phage major capsid protein, HK97 family, ... | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | Deposit date: | 2019-11-01 | Release date: | 2020-07-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.54 Å) | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent. Nat Commun, 11, 2020
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3G70
| Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | Descriptor: | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | Deposit date: | 2009-02-09 | Release date: | 2009-06-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors J.Med.Chem., 52, 2009
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3GF5
| Crystal structure of the P21 R1-R7 N-terminal domain of murine MVP | Descriptor: | GLYCEROL, Major vault protein | Authors: | Querol-Audi, J, Casanas, A, Luque, D, Caston, J.R, Fita, I, Verdaguer, N. | Deposit date: | 2009-02-26 | Release date: | 2009-11-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP Embo J., 28, 2009
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3G9V
| Crystal structure of a soluble decoy receptor IL-22BP bound to interleukin-22 | Descriptor: | Interleukin 22 receptor, alpha 2, Interleukin-22 | Authors: | de Moura, P.R, Watanabe, L, Bleicher, L, Colau, D, Renauld, J.-C, Polikarpov, I. | Deposit date: | 2009-02-14 | Release date: | 2009-04-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.756 Å) | Cite: | Crystal structure of a soluble decoy receptor IL-22BP bound to interleukin-22 FEBS Lett., 583, 2009
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3GAD
| Structure of apomif | Descriptor: | ACETIC ACID, Macrophage migration inhibitory factor-like protein, SULFATE ION | Authors: | Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H. | Deposit date: | 2009-02-17 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host Mol.Immunol., 47, 2010
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6TI6
| Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | Descriptor: | Amyloid-beta precursor protein | Authors: | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | Deposit date: | 2019-11-21 | Release date: | 2020-07-22 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
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6SRZ
| Kemp Eliminase HG3.17 mutant Q50H, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50H, ... | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | Deposit date: | 2019-09-06 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency Acs Catalysis, 2020
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6SS6
| Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0020187 | Descriptor: | Arginase-2, mitochondrial, Fab C0020187 heavy chain (IgG1), ... | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation. Proc.Natl.Acad.Sci.USA, 117, 2020
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6ST8
| Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein | Descriptor: | Major strawberry allergen Fra a 1-2 | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | Deposit date: | 2019-09-10 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits. J.Agric.Food Chem., 68, 2020
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6SU4
| Crystal structure of the 48C12 heliorhodopsin in the blue form at pH 4.3 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, ACETATE ION, ... | Authors: | Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V. | Deposit date: | 2019-09-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structural insights into the heliorhodopsin family. Proc.Natl.Acad.Sci.USA, 117, 2020
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