4EOK
 
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, MONOTHIOGLYCEROL, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EOS
 | | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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1B3E
 | | HUMAN SERUM TRANSFERRIN, N-TERMINAL LOBE, EXPRESSED IN PICHIA PASTORIS | | Descriptor: | CARBONATE ION, FE (III) ION, PROTEIN (SERUM TRANSFERRIN) | | Authors: | Bewley, M.C, Tam, B.M, Grewal, J, He, S, Shewry, S, Murphy, M.E.P, Mason, A.B, Woodworth, R.C, Baker, E.N, Macgillivray, R.T.A. | | Deposit date: | 1998-12-09 | | Release date: | 1999-03-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray crystallography and mass spectroscopy reveal that the N-lobe of human transferrin expressed in Pichia pastoris is folded correctly but is glycosylated on serine-32.
Biochemistry, 38, 1999
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3F4J
 | | Crystal structure of LeuT bound to glycine and sodium | | Descriptor: | GLYCINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-31 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F48
 | | Crystal structure of LeuT bound to L-alanine and sodium | | Descriptor: | ALANINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-31 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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4FCR
 | | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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4FCQ
 | | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha | | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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3F3A
 | | Crystal Structure of LeuT bound to L-Tryptophan and Sodium | | Descriptor: | SODIUM ION, TETRADECANE, TRYPTOPHAN, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F4I
 | | Crystal Structure of LeuT bound to L-selenomethionine and sodium | | Descriptor: | SELENOMETHIONINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-31 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F3E
 | | Crystal structure of LeuT bound to L-leucine (30 mM) and sodium | | Descriptor: | LEUCINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3FCB
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3FGS
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3FC8
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7CD7
 | | GFP-40/GFPuv complex, Form I | | Descriptor: | GFP-40, Green fluorescent protein | | Authors: | Yasui, N, Yamashita, A. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | A sweet protein monellin as a non-antibody scaffold for synthetic binding proteins.
J.Biochem., 169, 2021
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7CD8
 | | GFP-40/GFPuv complex, Form II | | Descriptor: | GFP-40, Green fluorescent protein | | Authors: | Yasui, N, Yamashita, A. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A sweet protein monellin as a non-antibody scaffold for synthetic binding proteins.
J.Biochem., 169, 2021
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3F3D
 | | Crystal structure of LeuT bound to L-Methionine and sodium | | Descriptor: | METHIONINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F3C
 | | Crystal structure of LeuT bound to 4-Fluoro-L-Phenylalanine and sodium | | Descriptor: | 4-FLUORO-L-PHENYLALANINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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1N7L
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5OE0
 | | CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181 | | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | | Authors: | Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M. | | Deposit date: | 2017-07-07 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.0500083 Å) | | Cite: | Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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2ZJU
 | | Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid | | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, Acetylcholine-binding protein | | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | | Deposit date: | 2008-03-10 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin
Invert.Neurosci., 8, 2008
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2ZJV
 | | Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Clothianidin | | Descriptor: | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine, Acetylcholine-binding protein | | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | | Deposit date: | 2008-03-10 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin
Invert.Neurosci., 8, 2008
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2Q72
 | | Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and imipramine | | Descriptor: | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ... | | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | | Deposit date: | 2007-06-05 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
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5X7D
 | | Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K. | | Deposit date: | 2017-02-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure.
Nature, 548, 2017
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2O7U
 | | Crystal structure of K206E/K296E mutant of the N-terminal half molecule of human transferrin | | Descriptor: | CARBONATE ION, FE (III) ION, Serotransferrin | | Authors: | Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N. | | Deposit date: | 2006-12-11 | | Release date: | 2007-01-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin.
Acta Crystallogr.,Sect.D, 63, 2007
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3AUV
 | | Predicting Amino Acid Preferences in the Complementarity Determining Regions of an Antibody-Antigen Recognition Interface | | Descriptor: | sc-dsFv derived from the G6-Fab | | Authors: | Yu, C.M, Peng, H.P, Chen, I.C, Lee, Y.C, Chen, J.B, Tsai, K.C, Chen, C.T, Chang, J.Y, Yang, E.W, Hsu, P.C, Jian, J.W, Hsu, H.J, Chang, H.J, Hsu, W.L, Huang, K.F, Ma, A.C, Yang, A.S. | | Deposit date: | 2011-02-16 | | Release date: | 2012-02-22 | | Last modified: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rationalization and design of the complementarity determining region sequences in an antibody-antigen recognition interface
Plos One, 7, 2012
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