5EPY
| Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic analogue) | Descriptor: | 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D.I, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-12 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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4MI7
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5F1J
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 1 at 1.63A resolution | Descriptor: | 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one, HTH-type transcriptional regulator EthR | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-30 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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4LMF
| C1s CUB1-EGF-CUB2 | Descriptor: | CALCIUM ION, Complement C1s subcomponent heavy chain, SODIUM ION | Authors: | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E. | Deposit date: | 2013-07-10 | Release date: | 2013-08-07 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.921 Å) | Cite: | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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5C4W
| Crystal structure of coxsackievirus A16 | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-18 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
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5C9A
| Crystal structure of empty coxsackievirus A16 particle | Descriptor: | CHLORIDE ION, POTASSIUM ION, SPHINGOSINE, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-26 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
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4NFG
| K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex | Descriptor: | Cytochrome c, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Meulenbroek, E.M, Bashir, Q, Ubbink, M, Pannu, N.S. | Deposit date: | 2013-10-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Engineering specificity in a dynamic protein complex with a single conserved mutation. Febs J., 281, 2014
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5CAK
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4NON
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4NXF
| Crystal structure of iLOV-I486(2LT) at pH 8.0 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Wang, J, Liu, X, Li, J. | Deposit date: | 2013-12-09 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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4LOS
| C1s CUB2-CCP1 | Descriptor: | CALCIUM ION, Complement C1s subcomponent heavy chain | Authors: | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E, Gingras, A.R. | Deposit date: | 2013-07-13 | Release date: | 2013-08-07 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4M5A
| Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina inhibited by asymmetric dimethyl arginine at 1.70 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NG,NG-DIMETHYL-L-ARGININE, rRNA N-glycosidase | Authors: | Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-08-08 | Release date: | 2013-08-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina inhibited by asymmetric dimethyl arginine at 1.70 A resolution To be Published
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4L78
| Xenon Trapping and Statistical Coupling Analysis Uncover Regions Important for Structure and Function of Multidomain Protein StPurL | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R. | Deposit date: | 2013-06-13 | Release date: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis Plos One, 8, 2013
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5C8C
| Crystal structure of recombinant coxsackievirus A16 capsid | Descriptor: | CHLORIDE ION, POTASSIUM ION, STEARIC ACID, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-25 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
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5C9R
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6FVT
| 26S proteasome, s1 state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E. | Deposit date: | 2018-03-05 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating. Cell Rep, 24, 2018
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4NX2
| Crystal structure of DCYRS complexed with DCY | Descriptor: | 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase | Authors: | Wang, J, Gong, W, Li, J, Gao, F, Li, H. | Deposit date: | 2013-12-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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6FVY
| 26S proteasome, s6 state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E. | Deposit date: | 2018-03-05 | Release date: | 2018-08-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating. Cell Rep, 24, 2018
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4NXE
| Crystal structure of iLOV-I486(2LT) at pH 6.5 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Wang, J, Liu, X, Li, J. | Deposit date: | 2013-12-09 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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7W4P
| The structure of KATP H175K mutant in closed state | Descriptor: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Wang, M. | Deposit date: | 2021-11-28 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides. Nat Commun, 13, 2022
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4NJQ
| Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CARBONATE ION, COBALT (II) ION, ... | Authors: | Nguyen, D.D, Pandian, R, Kim, D.Y, Ha, S.C, Yun, K.H, Kim, K.S, Kim, J.H, Kim, K.K. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa Biochem.Biophys.Res.Commun., 447, 2014
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7W4O
| The structure of KATP H175K mutant in pre-open state | Descriptor: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Wang, M. | Deposit date: | 2021-11-28 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides. Nat Commun, 13, 2022
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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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2OC1
| Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | Descriptor: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, 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: | 2006-12-20 | 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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4OHF
| Crystal structure of cytosolic nucleotidase II (LPG0095) in complex with GMP from Legionella pneumophila, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET LGR1 | Descriptor: | Cytosolic IMP-GMP specific 5'-nucleotidase, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Srinivisan, B, Forouhar, F, Shukla, A, Sampangi, C, Kulkarni, S, Abashidze, M, Seetharaman, J, Lew, S, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.M, Tong, L, Balaram, H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-01-17 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila. Febs J., 281, 2014
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