3RDC
 
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | | Deposit date: | 2011-04-01 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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6BRL
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1R1T
 | | Crystal structure of the cyanobacterial metallothionein repressor SmtB in the apo-form | | Descriptor: | Transcriptional repressor smtB | | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | | Deposit date: | 2003-09-25 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins.
J.Mol.Biol., 333, 2003
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3GOM
 | | Barium bound to the Holliday junction sequence d(TCGGCGCCGA)4 | | Descriptor: | 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION | | Authors: | Naseer, A, Cardin, C.J. | | Deposit date: | 2009-03-19 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure determination of an intercalating ruthenium dipyridophenazine complex which kinks DNA by semiintercalation of a tetraazaphenanthrene ligand.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3PLY
 | | Structure of Oxidized P96G Mutant of Amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION, PHOSPHATE ION, ... | | Authors: | Sukumar, N, Davidson, V.L. | | Deposit date: | 2010-11-15 | | Release date: | 2011-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Proline 96 of the copper ligand loop of amicyanin regulates electron transfer from methylamine dehydrogenase by positioning other residues at the protein-protein interface.
Biochemistry, 50, 2011
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1K3O
 | | Crystal Structure Analysis of apo Glutathione S-Transferase | | Descriptor: | GLUTATHIONE S-TRANSFERASE A1 | | Authors: | Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T. | | Deposit date: | 2001-10-03 | | Release date: | 2002-10-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
Proteins, 48, 2002
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1J7Y
 | | Crystal structure of partially ligated mutant of HbA | | Descriptor: | CARBON MONOXIDE, Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B. | | Deposit date: | 2001-05-19 | | Release date: | 2002-02-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
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3HHN
 | | Crystal structure of class I ligase ribozyme self-ligation product, in complex with U1A RBD | | Descriptor: | Class I ligase ribozyme, self-ligation product, MAGNESIUM ION, ... | | Authors: | Shechner, D.M, Grant, R.A, Bagby, S.C, Bartel, D.P. | | Deposit date: | 2009-05-15 | | Release date: | 2009-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.987 Å) | | Cite: | Crystal structure of the catalytic core of an RNA-polymerase ribozyme.
Science, 326, 2009
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1R23
 | | Crystal structure of the cyanobacterial metallothionein repressor SmtB in the Zn1-form (one Zn(II) per dimer) | | Descriptor: | Transcriptional repressor smtB, ZINC ION | | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | | Deposit date: | 2003-09-25 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins.
J.Mol.Biol., 333, 2003
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5UT8
 | | Deoxy form of sperm whale myoglobin H64A | | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2017-02-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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4GBA
 | | DCNL complex with N-terminally acetylated NEDD8 E2 peptide | | Descriptor: | DCN1-like protein 3, NEDD8-conjugating enzyme UBE2F | | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | | Deposit date: | 2012-07-26 | | Release date: | 2012-11-28 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
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5UTB
 | | Met form of sperm whale myoglobin V68A/I107Y | | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2017-02-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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5UTA
 | | Sperm whale myoglobin H64Q with nitrite | | Descriptor: | GLYCEROL, Myoglobin, NITRITE ION, ... | | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2017-02-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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4I2V
 | | X-ray structure of the unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 2.12A resolution | | Descriptor: | Uridine phosphorylase | | Authors: | Lashkov, A.A, Balaev, V.V, Prokofev, I.I, Betzel, C, Gabdoulkhakov, A.G, Mikhailov, A.M. | | Deposit date: | 2012-11-23 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.121 Å) | | Cite: | X-ray structure of the unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 2.12A resolution
To be Published
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1U9E
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397 | | Descriptor: | 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-09 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design Of Estrogen Receptor-beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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4MLF
 | | Crystal structure for the complex of thrombin mutant D102N and hirudin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ... | | Authors: | Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E. | | Deposit date: | 2013-09-06 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Essential role of conformational selection in ligand binding.
Biophys.Chem., 186C, 2014
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4IJ6
 | | Crystal Structure of a Novel-type Phosphoserine Phosphatase Mutant (H9A) from Hydrogenobacter thermophilus TK-6 in Complex with L-phosphoserine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHOSERINE, ... | | Authors: | Chiba, Y, Horita, S, Ohtsuka, J, Arai, H, Nagata, K, Igarashi, Y, Tanokura, M, Ishii, M. | | Deposit date: | 2012-12-21 | | Release date: | 2013-03-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural units important for activity of a novel-type phosphoserine phosphatase from Hydrogenobacter thermophilus TK-6 revealed by crystal structure analysis
J.Biol.Chem., 288, 2013
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5E12
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1U1Y
 | | Crystal structure of a complex between WT bacteriophage MS2 coat protein and an F5 aptamer RNA stemloop with 2aminopurine substituted at the-10 position | | Descriptor: | 5'-R(*CP*CP*GP*GP*(2PR)P*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*G)-3', Coat protein | | Authors: | Horn, W.T, Convery, M.A, Stonehouse, N.J, Adams, C.J, Liljas, L, Phillips, S.E, Stockley, P.G. | | Deposit date: | 2004-07-16 | | Release date: | 2004-12-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The crystal structure of a high affinity RNA stem-loop complexed with the bacteriophage MS2 capsid: further challenges in the modeling of ligand-RNA interactions.
Rna, 10, 2004
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6G0D
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4IJ5
 | | Crystal Structure of a Novel-type Phosphoserine Phosphatase from Hydrogenobacter thermophilus TK-6 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Phosphoserine phosphatase 1 | | Authors: | Chiba, Y, Horita, S, Ohtsuka, J, Arai, H, Nagata, K, Igarashi, Y, Tanokura, M, Ishii, M. | | Deposit date: | 2012-12-21 | | Release date: | 2013-03-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural units important for activity of a novel-type phosphoserine phosphatase from Hydrogenobacter thermophilus TK-6 revealed by crystal structure analysis
J.Biol.Chem., 288, 2013
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2HHD
 | | OXYGEN AFFINITY MODULATION BY THE N-TERMINI OF THE BETA-CHAINS IN HUMAN AND BOVINE HEMOGLOBIN | | Descriptor: | HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gilliland, G.L, Pechik, I, Fronticelli, C, Ji, X. | | Deposit date: | 1994-09-29 | | Release date: | 1995-01-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin.
Biochemistry, 35, 1996
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4RUS
 | | Carp Fishelectin, holo form | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L. | | Deposit date: | 2014-11-21 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
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1LSU
 | | KTN Bsu222 Crystal Structure in Complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Conserved hypothetical protein yuaA | | Authors: | Roosild, T.P, Miller, S, Booth, I.R, Choe, S. | | Deposit date: | 2002-05-18 | | Release date: | 2002-07-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A mechanism of regulating transmembrane potassium flux through a ligand-mediated conformational switch.
Cell(Cambridge,Mass.), 109, 2002
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1ZDN
 | | Ubiquitin-conjugating enzyme E2S | | Descriptor: | SODIUM ION, Ubiquitin-conjugating enzyme E2S | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-04-14 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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