4MEL
 
 | | Crystal Structure of the human USP11 DUSP-UBL domains | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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4JLX
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4J9Z
 | | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and NS309 | | Descriptor: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin, ... | | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | | Deposit date: | 2013-02-17 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Unstructured to structured transition of an intrinsically disordered protein peptide in coupling Ca2+-sensing and SK channel activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1JR6
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2PFH
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-05 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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3EK7
 | | Calcium-saturated GCaMP2 dimer | | Descriptor: | CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ... | | Authors: | Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R. | | Deposit date: | 2008-09-18 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design
J.Biol.Chem., 284, 2009
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5OS1
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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4J72
 | | Crystal Structure of polyprenyl-phosphate N-acetyl hexosamine 1-phosphate transferase | | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Lee, S.Y, Chung, B.C, Gillespie, R.A, Kwon, D.Y, Guan, Z, Zhou, P, Hong, J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of MraY, an essential membrane enzyme for bacterial cell wall synthesis.
Science, 341, 2013
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1KZ0
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4OVN
 | | Voltage-gated Sodium Channel 1.5 (Nav1.5) C-terminal domain in complex with Calmodulin poised for activation | | Descriptor: | Calmodulin, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Boto, A, Jakoncic, J, Tomaselli, G.F, Amzel, L.M. | | Deposit date: | 2013-12-10 | | Release date: | 2014-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Regulation of the NaV1.5 cytoplasmic domain by calmodulin.
Nat Commun, 5, 2014
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4OY4
 | | calcium-free CaMPARI v0.2 | | Descriptor: | Chimera protein of Calmodulin, GPF-like protein EosFP, and Myosin light chain kinase, ... | | Authors: | Fosque, B.F, Schreiter, E.R. | | Deposit date: | 2014-02-10 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Neural circuits. Labeling of active neural circuits in vivo with designed calcium integrators.
Science, 347, 2015
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2XMS
 | | Crystal structure of human NDRG2 protein provides insight into its role as a tumor suppressor | | Descriptor: | CHLORIDE ION, IMIDAZOLE, PROTEIN NDRG2 | | Authors: | Hwang, J, Kim, Y, Lee, H, Kim, M.H. | | Deposit date: | 2010-07-29 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of Human Ndrg2 Protein Provides Insight Into its Role as a Tumor Suppressor.
J.Biol.Chem., 286, 2011
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3L5I
 | | Crystal structure of FnIII domains of human GP130 (Domains 4-6) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta | | Authors: | Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E. | | Deposit date: | 2009-12-22 | | Release date: | 2010-05-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
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4OCX
 | | Fab complex with methotrexate | | Descriptor: | Fab ADD056 Heavy Chain, Fab ADD056 Light Chain, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID | | Authors: | Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S. | | Deposit date: | 2014-01-09 | | Release date: | 2014-07-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Water channel in the binding site of a high affinity anti-methotrexate antibody.
Biochemistry, 53, 2014
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5WRE
 | | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-12-01 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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2XMR
 | | Crystal structure of human NDRG2 protein provides insight into its role as a tumor suppressor | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Hwang, J, Kim, Y, Lee, H, Kim, M.H. | | Deposit date: | 2010-07-29 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Ndrg2 Protein Provides Insight Into its Role as a Tumor Suppressor.
J.Biol.Chem., 286, 2011
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4KB6
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5ORL
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | | Authors: | McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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4MKB
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3DPG
 | | SgrAI with noncognate DNA bound | | Descriptor: | CALCIUM ION, DNA (5'-D(*DAP*DAP*DGP*DTP*DCP*DGP*DAP*DCP*DCP*DGP*DGP*DTP*DGP*DGP*DAP*DCP*DT)-3'), SgraIR restriction enzyme | | Authors: | Dunten, P.W, Horton, N.C, Little, E.J. | | Deposit date: | 2008-07-08 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The structure of SgrAI bound to DNA; recognition of an 8 base pair target.
Nucleic Acids Res., 36, 2008
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2PF8
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-04 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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4MK9
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | | Descriptor: | GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2013-09-04 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
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4MZE
 | | Crystal structure of hPIV3 hemagglutinin-neuraminidase, H552Q/Q559R mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Xu, R, Wilson, I.A. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo.
MBio, 4, 2013
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5ORP
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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3H90
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