3LE9
 
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3LOX
 | | HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound | | Descriptor: | (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ... | | Authors: | Prongay, A.J. | | Deposit date: | 2010-02-04 | | Release date: | 2011-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Bioorg.Med.Chem.Lett., 20, 2010
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5L14
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5MEI
 | | Crystal structure of Agelastatin A bound to the 80S ribosome | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O. | | Deposit date: | 2016-11-15 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
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4U1T
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8U5W
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7QSX
 | | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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7QVI
 | | Fiber-forming RubisCO derived from ancestral sequence reconstruction and rational engineering | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | | Authors: | Schulz, L, Zarzycki, J, Prinz, S, Schuller, J.M, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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7QT1
 | | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex with substitution e170N | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ... | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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7QSW
 | | L8S8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of SSU-bearing Form I RubisCOs | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ... | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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7QSV
 | | L8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of Form I'' and Form I RubisCOs | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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7QSY
 | | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ... | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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7QSZ
 | | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex with substitution e170N | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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2O8M
 | | Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | | Descriptor: | Protease, SODIUM ION, ZINC ION | | Authors: | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | | Deposit date: | 2006-12-12 | | Release date: | 2007-10-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
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3E8R
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | Descriptor: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ... | | Authors: | Orth, P. | | Deposit date: | 2008-08-20 | | Release date: | 2008-10-21 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
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8IOO
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5C2O
 | | Crystal structure of Streptococcus mutans Deoxycytidylate Deaminase complexed with dTTP | | Descriptor: | MAGNESIUM ION, Putative deoxycytidylate deaminase, THYMIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Li, Y.H, Gao, Z.Q, Hou, H.F, Dong, Y.H. | | Deposit date: | 2015-06-16 | | Release date: | 2016-07-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mechanism of the allosteric regulation of Streptococcus mutans 2'-deoxycytidylate deaminase.
Acta Crystallogr D Struct Biol, 72, 2016
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6D7C
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6D7U
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6D8B
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6DKK
 | | Structure of BoNT | | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | | Authors: | Lam, K, Jin, R. | | Deposit date: | 2018-05-29 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
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6D8D
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7FAJ
 | | CARM1 bound with compound 43 | | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | | Authors: | Cao, D.Y, Li, J, Xiong, B. | | Deposit date: | 2021-07-06 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2450726 Å) | | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
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7FAI
 | | CARM1 bound with compound 9 | | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | | Authors: | Cao, D.Y, Li, J, Xiong, B. | | Deposit date: | 2021-07-06 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09749269 Å) | | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
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6MHJ
 | | Structure of BoNT mutant | | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | | Authors: | Lam, K, Jin, R. | | Deposit date: | 2018-09-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.019 Å) | | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
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