7WY3
 
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY2
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY1
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7XLP
 | | MEK1 bound to DS03090629 | | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7XNC
 | | MEK1 bound to DS94070624 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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3Q2D
 | | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | | Descriptor: | 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase | | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2010-12-20 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
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6FHE
 | | Highly active enzymes by automated modular backbone assembly and sequence design | | Descriptor: | Synthetic construct | | Authors: | Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S. | | Deposit date: | 2018-01-14 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Highly active enzymes by automated combinatorial backbone assembly and sequence design.
Nat Commun, 9, 2018
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3OP5
 | | Human vaccinia-related kinase 1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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4PAC
 | | Crystal Structure of Histidine-containing Phosphotransfer Protein AHP2 from Arabidopsis thaliana | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histidine-containing phosphotransfer protein 2, IMIDAZOLE | | Authors: | Degtjarik, O, Dopitova, R, Puehringer, S, Weiss, M.S, Janda, L, Hejatko, J, Kuta-Smatanova, I. | | Deposit date: | 2014-04-08 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal structure of AHP2 from Arabidopsis thaliana
To Be Published
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6FHF
 | | Highly active enzymes by automated modular backbone assembly and sequence design | | Descriptor: | Design, SODIUM ION | | Authors: | Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S. | | Deposit date: | 2018-01-14 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Highly active enzymes by automated combinatorial backbone assembly and sequence design.
Nat Commun, 9, 2018
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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | Descriptor: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
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3NQV
 | | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A | | Descriptor: | BENZAMIDINE, deoxyribose phosphate aldolase | | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2010-06-29 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
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6GC2
 | | AbLIFT: Antibody stability and affinity optimization by computational design of the variable light-heavy chain interface | | Descriptor: | Heavy chain, Light Chain | | Authors: | Warszawski, S, Katz, A, Khmelnitsky, L, Ben Nissan, G, Javitt, G, Dym, O, Unger, T, Knop, O, Diskin, R, Albeck, S, Fass, D, Sharon, M, Fleishman, S.J. | | Deposit date: | 2018-04-17 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Optimizing antibody affinity and stability by the automated design of the variable light-heavy chain interfaces.
Plos Comput.Biol., 15, 2019
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7XZK
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7WTW
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-A3 | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WU0
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-B3 | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTQ
 | | Cryo-EM structure of a yeast pre-40S ribosomal subunit - State Tsr1-2 (without Rps2) | | Descriptor: | 18S rRNA, 18S rRNA (guanine(1575)-N(7))-methyltransferase, 40S ribosomal protein S1-A, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTL
 | | Cryo-EM structure of a yeast pre-40S ribosomal subunit - State Dis-D | | Descriptor: | 18S rRNA, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ... | | Authors: | Cheng, J, La Venuta, G, Lau, B, Berninghausen, O, Beckmann, R, Hurt, E. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | In vitro structural maturation of an early stage pre-40S particle coupled with U3 snoRNA release and central pseudoknot formation.
Nucleic Acids Res., 50, 2022
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7WTP
 | | Cryo-EM structure of a yeast pre-40S ribosomal subunit - State Tsr1-2 (with Rps2) | | Descriptor: | 18S rRNA, 18S rRNA (guanine(1575)-N(7))-methyltransferase, 40S ribosomal protein S1-A, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTR
 | | Cryo-EM structure of a yeast pre-40S ribosomal subunit - State Tsr1-3 | | Descriptor: | 18S rRNA, 18S rRNA (guanine(1575)-N(7))-methyltransferase, 40S ribosomal protein S1-A, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTS
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State UTP14 | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTX
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-B1 | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTT
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-A1 (with CK1) | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTZ
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-B2 | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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7WTU
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-A1 (without CK1) | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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