8SEP
 
 | | Cryo-EM Structure of RyR1 + ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SEQ
 | | Cryo-EM Structure of RyR1 + AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SEY
 | | Cryo-EM Structure of RyR1 + Adenosine (Local Refinement of TMD) | | Descriptor: | ADENOSINE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SEW
 | | Cryo-EM Structure of RyR1 + ADP (Local Refinement of TMD) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SF0
 | | Cryo-EM Structure of RyR1 + cAMP (Local Refinement of TMD) | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SES
 | | Cryo-EM Structure of RyR1 + Adenine | | Descriptor: | ADENINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SEN
 | | Cryo-EM Structure of RyR1 | | Descriptor: | Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SET
 | | Cryo-EM Structure of RyR1 + cAMP | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SEZ
 | | Cryo-EM Structure of RyR1 + Adenine (Local Refinement of TMD) | | Descriptor: | ADENINE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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8SEX
 | | Cryo-EM Structure of RyR1 + AMP (Local Refinement of TMD) | | Descriptor: | ADENOSINE MONOPHOSPHATE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
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6UAN
 | | B-Raf:14-3-3 complex | | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2019-09-11 | | Release date: | 2019-09-25 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases.
Science, 366, 2019
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6NSH
 | | Modified ASL proline bound to Thermus thermophilus 70S (near-cognate) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Hoffer, E.D, Maehigashi, T, Subaramanian, S, Hong, S, Dunham, C.M. | | Deposit date: | 2019-01-24 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.397 Å) | | Cite: | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
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6O3M
 | | Unmodified tRNA(Pro) bound to Thermus thermophilus 70S (cognate) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2019-02-26 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.97 Å) | | Cite: | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
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2OC7
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | | 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 (2.7 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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7RLG
 | | Cryo-EM structure of human p97-D592N mutant bound to ADP. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RL6
 | | Cryo-EM structure of human p97-R155H mutant bound to ADP. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RL9
 | | Cryo-EM structure of human p97-R191Q mutant bound to ADP. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RLB
 | | Cryo-EM structure of human p97-A232E mutant bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RLD
 | | Cryo-EM structure of human p97-E470D mutant bound to ADP. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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6VYF
 | | Cryo-EM structure of Plasmodium vivax hexokinase (Open state) | | Descriptor: | Phosphotransferase | | Authors: | Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S. | | Deposit date: | 2020-02-26 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
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6VYG
 | | Cryo-EM structure of Plasmodium vivax hexokinase (Closed state) | | Descriptor: | Phosphotransferase | | Authors: | Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S. | | Deposit date: | 2020-02-26 | | Release date: | 2020-05-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
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6VL3
 | | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986436 | | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | | Deposit date: | 2020-01-22 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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7RF0
 | | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE AND MAGNESIUM | | Descriptor: | MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | | Deposit date: | 2021-07-13 | | Release date: | 2023-01-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of divalent Mg+2 dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
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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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