6NX9
 
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5LCE
 | | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2016-06-21 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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5EFV
 | | The host-recognition device of Staphylococcus aureus phage Phi11 | | Descriptor: | FE (III) ION, Phi ETA orf 56-like protein | | Authors: | Koc, C, Kuhner, P, Xia, G, Spinelli, S, Roussel, A, Cambillau, C, Stehle, T. | | Deposit date: | 2015-10-26 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the host-recognition device of Staphylococcus aureus phage 11.
Sci Rep, 6, 2016
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5LFG
 | | X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO). | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ... | | Authors: | Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A. | | Deposit date: | 2016-07-01 | | Release date: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin.
Chemistry, 23, 2017
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5LFN
 | | Crystal structure of human chondroadherin | | Descriptor: | CHLORIDE ION, Chondroadherin | | Authors: | Ramisch, S, Pramhed, A, Logan, D.T. | | Deposit date: | 2016-07-03 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human chondroadherin: solving a difficult molecular-replacement problem using de novo models.
Acta Crystallogr D Struct Biol, 73, 2017
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2IU5
 | | Dihydroxyacetone kinase operon activator DhaS | | Descriptor: | HTH-TYPE DHAKLM OPERON TRANSCRIPTIONAL ACTIVATOR DHAS | | Authors: | Srinivas, A, Christen, S, Baumann, U, Erni, B. | | Deposit date: | 2006-05-27 | | Release date: | 2006-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Regulation of the Dha Operon of Lactococcus Lactis: A Deviation from the Rule Followed by the Tetr Family of Transcription Regulators
J.Biol.Chem., 281, 2006
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5LP4
 | | Penicillin-Binding Protein (PBP2) from Helicobacter pylori | | Descriptor: | Penicillin-binding protein 2 (Pbp2), SULFATE ION | | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Boneca, I.G, Dessen, A. | | Deposit date: | 2016-08-11 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex.
Nat Commun, 8, 2017
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2ID5
 | | Crystal Structure of the Lingo-1 Ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine rich repeat neuronal 6A, ... | | Authors: | Mosyak, L, Wood, A, Dwyer, B, Johnson, M, Stahl, M.L, Somers, W.S. | | Deposit date: | 2006-09-14 | | Release date: | 2006-09-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | The structure of the Lingo-1 ectodomain, a module implicated in central nervous system repair inhibition.
J.Biol.Chem., 281, 2006
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2IDR
 | | Crystal structure of translation initiation factor EIF4E from wheat | | Descriptor: | Eukaryotic translation initiation factor 4E-1 | | Authors: | Monzingo, A.F, Sadow, J, Dhaliwal, S, Lyon, A, Hoffman, D.W, Robertus, J.D, Browning, K.S. | | Deposit date: | 2006-09-15 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond.
Plant Physiol., 143, 2007
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7O2L
 | | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | | Deposit date: | 2021-03-30 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
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2IDV
 | | Crystal structure of wheat C113S mutant EIF4E bound TO 7-methyl-GDP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-1 | | Authors: | Monzingo, A.F, Dutt-Chaudhuri, A, Sadow, J, Dhaliwal, S, Hoffman, D.W, Robertus, J.D, Browning, K.S. | | Deposit date: | 2006-09-15 | | Release date: | 2007-06-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond.
Plant Physiol., 143, 2007
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1Y1H
 | | human formylglycine generating enzyme, oxidised Cys refined as hydroperoxide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-alpha-formyglycine-generating enzyme, HYDROGEN PEROXIDE, ... | | Authors: | Rudolph, M.G, Dickmanns, A, Ficner, R. | | Deposit date: | 2004-11-18 | | Release date: | 2005-05-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
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2J1N
 | | osmoporin OmpC | | Descriptor: | CHLORIDE ION, DODECANE, MAGNESIUM ION, ... | | Authors: | Basle, A, Storici, P, Rummel, G, Rosenbusch, J.P, Schirmer, T. | | Deposit date: | 2006-08-15 | | Release date: | 2006-09-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Osmoporin Ompc from E. Coli at 2.0 A.
J.Mol.Biol., 362, 2006
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1Y1J
 | | human formylglycine generating enzyme, sulfonic acid/desulfurated form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-alpha-formyglycine-generating enzyme, ... | | Authors: | Rudolph, M.G, Dickmanns, A, Ficner, R. | | Deposit date: | 2004-11-18 | | Release date: | 2005-05-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Cell(Cambridge,Mass.), 121, 2005
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2IG3
 | | Crystal structure of group III truncated hemoglobin from Campylobacter jejuni | | Descriptor: | ACETATE ION, CYANIDE ION, Group III truncated haemoglobin, ... | | Authors: | Nardini, M, Pesce, A, Labarre, M, Ascenzi, P, Guertin, M, Bolognesi, M. | | Deposit date: | 2006-09-22 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural determinants in the group III truncated hemoglobin from Campylobacter jejuni.
J.Biol.Chem., 281, 2006
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5LJI
 | | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin | | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-31 | | Last modified: | 2016-09-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
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2IF9
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2IS3
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5LC6
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5ER2
 | | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | | Descriptor: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | | Authors: | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | | Deposit date: | 1991-01-02 | | Release date: | 1991-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
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1Y0D
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1Y26
 | | A-riboswitch-adenine complex | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus A-riboswitch | | Authors: | Serganov, A, Yuan, Y.R, Patel, D.J. | | Deposit date: | 2004-11-20 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
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2IPR
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5ESL
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-11-16 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
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5ESN
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant structure | | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-11-16 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
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