2OBO
 
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 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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5XOF
 | | Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide I | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Nitric oxide synthase, ... | | Authors: | Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, H, Anada, M, Ose, T, Hashimoto, S, Maenaka, K. | | Deposit date: | 2017-05-28 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.963 Å) | | Cite: | Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
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2OBQ
 | | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | | Descriptor: | Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 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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2OC0
 | | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 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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7WVL
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5XO2
 | | Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide II | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Envelope glycoprotein B | | Authors: | Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, S, Anada, M, Ose, T, Hashimoto, S, Maenaka, K. | | Deposit date: | 2017-05-25 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
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5X7H
 | | Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltoheptaose | | Descriptor: | CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, MALONATE ION, ... | | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Suzuki, R, Momma, M, Funane, K. | | Deposit date: | 2017-02-26 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Isomaltooligosaccharide-binding structure ofPaenibacillussp. 598K cycloisomaltooligosaccharide glucanotransferase
Biosci. Rep., 37, 2017
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2F7L
 | | Crystal structure of Sulfolobus tokodaii phosphomannomutase/phosphoglucomutase | | Descriptor: | 455aa long hypothetical phospho-sugar mutase, SULFATE ION | | Authors: | Kawamura, T, Sakai, N, Akutsu, J, Zhang, Z, Watanabe, N, Kawarabayashi, Y, Tanaka, I. | | Deposit date: | 2005-12-01 | | Release date: | 2006-12-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of Sulfolobus tokodaii phosphomannomutase/phosphoglucomutase
To be Published
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2J6A
 | | Structure of S. cerevisiae Trm112 protein, a methyltransferase activator | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN TRM112, ZINC ION | | Authors: | Heurgue-Hamard, V, Graille, M, Scrima, N, Ulryck, N, Champ, S, Van Tilbeurgh, H, Buckingham, R.H. | | Deposit date: | 2006-09-27 | | Release date: | 2006-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Zinc Finger Protein Ynr046W is Plurifunctional and a Component of the Erf1 Methyltransferase in Yeast.
J.Biol.Chem., 281, 2006
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1SMD
 | | HUMAN SALIVARY AMYLASE | | Descriptor: | AMYLASE, CALCIUM ION, CHLORIDE ION | | Authors: | Ramasubbu, N. | | Deposit date: | 1996-01-24 | | Release date: | 1996-07-11 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of human salivary alpha-amylase at 1.6 A resolution: implications for its role in the oral cavity.
Acta Crystallogr.,Sect.D, 52, 1996
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1UB3
 | | Crystal Structure of Tetrameric Structure of Aldolase from thermus thermophilus HB8 | | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, Aldolase protein | | Authors: | Lokanath, N.K, Miyano, M, Yokoyama, S, Kuramitsu, S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-03-28 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of aldolase from Thermus thermophilus HB8 showing the contribution of oligomeric state to thermostability.
Acta Crystallogr.,Sect.D, 60, 2004
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1SYK
 | | Crystal structure of E230Q mutant of cAMP-dependent protein kinase reveals unexpected apoenzyme conformation | | Descriptor: | cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Wu, J, Yang, J, Madhusudan, N, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S. | | Deposit date: | 2004-04-01 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the E230Q mutant of cAMP-dependent
protein kinase reveals an unexpected apoenzyme conformation and an
extended N-terminal A helix.
Protein Sci., 14, 2005
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2JZW
 | | How the HIV-1 nucleocapsid protein binds and destabilises the (-)primer binding site during reverse transcription | | Descriptor: | DNA (5'-D(*DGP*DTP*DCP*DCP*DCP*DTP*DGP*DTP*DTP*DCP*DGP*DGP*DGP*DC)-3'), HIV-1 nucleocapsid protein NCp7(12-55), ZINC ION | | Authors: | Bourbigot, S, Ramalanjaona, N, Salgado, G.F.J, Mely, Y, Roques, B.P, Bouaziz, S, Morellet, N. | | Deposit date: | 2008-01-21 | | Release date: | 2009-01-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | How the HIV-1 nucleocapsid protein binds and destabilises the (-)primer binding site during reverse transcription.
J.Mol.Biol., 383, 2008
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1UGU
 | | Crystal structure of PYP E46Q mutant | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Sugishima, M, Tanimoto, Y, Hamada, N, Tokunaga, F, Fukuyama, K. | | Deposit date: | 2003-06-19 | | Release date: | 2004-08-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of photoactive yellow protein (PYP) E46Q mutant at 1.2 A resolution suggests how Glu46 controls the spectroscopic and kinetic characteristics of PYP.
Acta Crystallogr.,Sect.D, 60, 2004
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6LHM
 | | Structure of human PYCR2 | | Descriptor: | Pyrroline-5-carboxylate reductase 2 | | Authors: | Baburajendran, N. | | Deposit date: | 2019-12-09 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Loss of PYCR2 Causes Neurodegeneration by Increasing Cerebral Glycine Levels via SHMT2.
Neuron, 107, 2020
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7QYN
 | | Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-01-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R02
 | | Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R4E
 | | RVX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-08 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.00001168 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R2F
 | | Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-04 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R3C
 | | VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-07 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.40000415 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R0A
 | | Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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6P5S
 | | HIPK2 kinase domain bound to CX-4945 | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | | Authors: | Agnew, C, Liu, L, Jura, N. | | Deposit date: | 2019-05-30 | | Release date: | 2019-07-31 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
J.Biol.Chem., 294, 2019
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6L4U
 | | Structure of the PSI-FCPI supercomplex from diatom | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | | Deposit date: | 2019-10-21 | | Release date: | 2020-05-20 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
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6L4T
 | | Structure of the peripheral FCPI from diatom | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | | Deposit date: | 2019-10-21 | | Release date: | 2020-05-20 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
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2QJO
 | | crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase (NadM) complexed with ADPRP and NAD from Synechocystis sp. | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Bifunctional NMN adenylyltransferase/Nudix hydrolase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | | Deposit date: | 2007-07-08 | | Release date: | 2008-03-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
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