6K79
 
 | | Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate. | | Descriptor: | GLYCEROL, Glycerol kinase, TRIETHYLENE GLYCOL | | Authors: | Koga, Y, Angkawidjaja, C, Matsumura, H, Hokao, R. | | Deposit date: | 2019-06-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural analysis of hexameric structure of glycerol kinase from Thermococcus kodakaraeinsis KOD1
To Be Published
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3F2M
 | | Urate oxidase complexed with 8-azaxanthine at 150 MPa | | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | | Authors: | Colloc'h, N, Girard, E, Kahn, R, Fourme, R. | | Deposit date: | 2008-10-30 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function perturbation and dissociation of tetrameric urate oxidase by high hydrostatic pressure.
Biophys.J., 98, 2010
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6KOY
 | | Crystal structure of two domain M1 Zinc metallopeptidase E323A mutant bound to L-tryptophan amino acid | | Descriptor: | TRYPTOPHAN, ZINC ION, Zinc metalloprotease | | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | Deposit date: | 2019-08-13 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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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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3U4B
 | | CH04H/CH02L Fab P4 | | Descriptor: | CH02 Light chain, CH04 Heavy chain | | Authors: | Pancera, M, Louder, R, Mclellan, J.S, KWong, P.D. | | Deposit date: | 2011-10-07 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-21 | | Method: | X-RAY DIFFRACTION (2.893 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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3FBK
 | | Crystal structure of the C2 domain of the human regulator of G-protein signaling 3 isoform 6 (RGP3), Northeast Structural Genomics Consortium Target HR5550A | | Descriptor: | Regulator of G-protein signaling 3, SULFATE ION | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-11-19 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the C2 domain of the human regulator of G-protein signaling 3 isoform 6 (RGP3), Northeast Structural Genomics Consortium Target HR5550A
To be Published
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3PHY
 | | PHOTOACTIVE YELLOW PROTEIN, DARK STATE (UNBLEACHED), SOLUTION STRUCTURE, NMR, 26 STRUCTURES | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Dux, P, Rubinstenn, G, Vuister, G.W, Boelens, R, Mulder, F.A.A, Hard, K, Hoff, W.D, Kroon, A, Crielaard, W, Hellingwerf, K.J, Kaptein, R. | | Deposit date: | 1998-02-06 | | Release date: | 1998-05-27 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of the photoactive yellow protein.
Biochemistry, 37, 1998
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3TWC
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3TYG
 | | Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with a glycosylated engineered gp120 outer domain with miniV3 (eODmV3) | | Descriptor: | Envelope glycoprotein gp160, PGT128 heavy chain, Ig gamma-1 chain C region, ... | | Authors: | Pejchal, R, Huang, P.S, Schief, W.R, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2011-09-25 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield.
Science, 334, 2011
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4OVE
 | | X-ray Crystal Structure of Mouse Netrin-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Meier, M, Nikodemus, D, Reuten, R, Patel, T.R, Orriss, G, Okun, N, Koch, M, Stetefeld, J. | | Deposit date: | 2014-02-21 | | Release date: | 2015-02-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural Decoding of the Netrin-1/UNC5 Interaction and its Therapeutical Implications in Cancers.
Cancer Cell, 29, 2016
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6L29
 | | The structure of the MazF-mt1 mutant | | Descriptor: | mRNA interferase | | Authors: | Xie, W, Chen, R, Zhou, J. | | Deposit date: | 2019-10-02 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3000052 Å) | | Cite: | Conserved Conformational Changes in the Regulation ofMycobacterium tuberculosisMazEF-mt1.
Acs Infect Dis., 6, 2020
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2CMC
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | Descriptor: | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, ... | | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-04 | | Release date: | 2006-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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4BUQ
 | | Crystal structure of wild type FimH lectin domain in complex with heptyl alpha-D-mannopyrannoside | | Descriptor: | FIMH, heptyl alpha-D-mannopyranoside | | Authors: | Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B. | | Deposit date: | 2013-06-23 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh
Acs Med.Chem.Lett., 4, 2013
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6LAD
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6KYT
 | | The structure of the M. tb toxin MazEF-mt1 complex | | Descriptor: | Antitoxin MazE9, Endoribonuclease MazF9 | | Authors: | Xie, W, Chen, R, Zhou, J. | | Deposit date: | 2019-09-20 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.00101161 Å) | | Cite: | Conserved Conformational Changes in the Regulation ofMycobacterium tuberculosisMazEF-mt1.
Acs Infect Dis., 6, 2020
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4LY1
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4GCJ
 | | CDK2 in complex with inhibitor RC-3-89 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2012-07-30 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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2E1S
 | | Crystal structure of the complex of C-terminal half of bovine lactoferrin and arabinose at 2.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Mir, R, Prem Kumar, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2006-10-27 | | Release date: | 2006-11-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the complex of C-terminal half of bovine lactoferrin and arabinose at 2.7 A resolution
To be Published
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2DWA
 | | Structure of the complex of lactoferrin C-terminal half with fucose at 2.07 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Mir, R, Prem Kumar, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2006-08-09 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure of the complex of lactoferrin C-terminal half with fucose at 2.07 A resolution
To be Published
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2DWI
 | | Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and cellobiose at 2.2 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Prem Kumar, R, Mir, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2006-08-13 | | Release date: | 2006-09-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and cellobiose at 2.2 A resolution
To be Published
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2F1K
 | | Crystal structure of Synechocystis arogenate dehydrogenase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, prephenate dehydrogenase | | Authors: | Legrand, P, Dumas, R, Seux, M, Rippert, P, Ravelli, R, Ferrer, J.-L, Matringe, M. | | Deposit date: | 2005-11-14 | | Release date: | 2006-05-09 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biochemical Characterization and Crystal Structure of Synechocystis Arogenate Dehydrogenase Provide Insights into Catalytic Reaction
Structure, 14, 2006
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2CM8
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | Descriptor: | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-04 | | Release date: | 2006-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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3V3W
 | | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-12-14 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol
to be published
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2CYX
 | | Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7) | | Descriptor: | Ubiquitin-conjugating enzyme E2 G2 | | Authors: | Yoshikawa, S, Arai, R, Murayama, K, Imai, Y, Takahashi, R, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-07-08 | | Release date: | 2006-04-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7)
Acta Crystallogr.,Sect.F, 62, 2006
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2FMN
 | | Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase complex with LY309887 | | Descriptor: | 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID | | Authors: | Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L. | | Deposit date: | 2006-01-09 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation
Biochemistry, 45, 2006
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