5M4N
 
 | | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone, ... | | Authors: | Baker, L.M, Brough, P, Surgenor, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
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1E2R
 | | CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED AND CYANIDE BOUND | | Descriptor: | CYANIDE ION, GLYCEROL, HEME C, ... | | Authors: | Fulop, V. | | Deposit date: | 2000-05-24 | | Release date: | 2000-05-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | X-Ray Crystallographic Study of Cyanide Binding Provides Insights Into the Structure-Function Relationship for Cytochrome Cd1 Nitrite Reductase from Paracoccus Pantotrophus.
J.Biol.Chem., 275, 2000
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5LLV
 | | Crystal structure of DACM F87M/L110M Transthyretin mutant | | Descriptor: | ACETATE ION, CHLORIDE ION, Transthyretin | | Authors: | Sala, B.M, Ghadami, S.A, Bemporad, F, Chiti, F, Ricagno, S. | | Deposit date: | 2016-07-28 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | FRET studies of various conformational states adopted by transthyretin.
Cell. Mol. Life Sci., 74, 2017
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1E2U
 | | Low Temperature Structure of Hybrid Cluster Protein from Desulfovibrio vulgaris to 1.6A | | Descriptor: | HYDROXYLAMINE REDUCTASE, IRON/SULFUR CLUSTER, IRON/SULFUR/OXYGEN HYBRID CLUSTER | | Authors: | Cooper, S.J, Bailey, S, Hagen, W.R, Lindley, P.F. | | Deposit date: | 2000-05-26 | | Release date: | 2000-12-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hybrid-Cluster Protein (Hcp) from Desulfovibrio Vulgaris (Hildenborough) at 1.6 A Resolution.
Biochemistry, 39, 2000
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1E3B
 | | CYCLOPHILIN 3 FROM C.ELEGANS COMPLEXED WITH AUP(ET)3 | | Descriptor: | CYCLOPHILIN 3, GOLD ION, TRIETHYLPHOSPHANE | | Authors: | Zou, J, Taylor, P, Dornan, J, Robinson, S.P, Walkinshaw, M.D, Sadler, P.J. | | Deposit date: | 2000-06-08 | | Release date: | 2000-10-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | First Crystal Structure of a Medicinally Relevant Gold Protein Complex:Unexpected Binding of [Au(Pet (3))](+) to Histidine
Angew.Chem.Int.Ed.Engl., 39, 2000
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5LMU
 | | Structure of bacterial 30S-IF3-mRNA-tRNA translation pre-initiation complex, closed form (state-4) | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Hussain, T, Llacer, J.L, Wimberly, B.T, Ramakrishnan, V. | | Deposit date: | 2016-08-01 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Large-Scale Movements of IF3 and tRNA during Bacterial Translation Initiation.
Cell, 167, 2016
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8PED
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1E3P
 | | tungstate derivative of Streptomyces antibioticus PNPase/GPSI enzyme | | Descriptor: | Polyribonucleotide nucleotidyltransferase, SULFATE ION, TUNGSTATE(VI)ION | | Authors: | Symmons, M.F, Jones, G.H, Luisi, B.F. | | Deposit date: | 2000-06-20 | | Release date: | 2000-11-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Duplicated Fold is the Structural Basis for Polynucleotide Phosphorylase Catalytic Activity, Processivity, and Regulation
Structure, 8, 2000
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5M4V
 | | X-ray structure of the mambaquaretin-1, a selective antagonist of the vasopressin type 2 receptor | | Descriptor: | CHLORIDE ION, Mambaquaretin-1, S-1,2-PROPANEDIOL | | Authors: | Stura, E.A, Vera, L, Ciolek, J, Mourier, G, Gilles, N. | | Deposit date: | 2016-10-19 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5M4X
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1DZC
 | | High resolution structure of acidic fibroblast growth factor. Mutant FGF-4-ALA-(24-154), 24 NMR structures | | Descriptor: | FIBROBLAST GROWTH FACTOR 1 | | Authors: | Lozano, R.M, Pineda-Lucena, A, Gonzalez, C, Jimenez, M.A, Cuevas, P, Redondo-Horcajo, M, Sanz, J.M, Rico, M, Gimenez-Gallego, G. | | Deposit date: | 2000-02-24 | | Release date: | 2000-03-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | 1H-NMR Structural Characterization of a Non Mitogenic, Vasodilatory, Ischemia-Protector and Neuromodulatory Acidic Fibroblast Growth Factor
Biochemistry, 39, 2000
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5M5R
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5LO1
 | | HSP90 WITH indazole derivative | | Descriptor: | 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M, Schuetz, D. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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1DRR
 | | DNA/RNA HYBRID DUPLEX CONTAINING A PURINE-RICH DNA STRAND, NMR, 10 STRUCTURES | | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*AP*GP*AP*AP*GP*C)-3'), RNA (5'-R(*GP*CP*UP*UP*CP*UP*CP*UP*UP*C)-3') | | Authors: | Gyi, J.I, Lane, A.N, Conn, G.L, Brown, T. | | Deposit date: | 1997-10-21 | | Release date: | 1998-04-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of DNA.RNA hybrids with purine-rich and pyrimidine-rich strands: comparison with the homologous DNA and RNA duplexes.
Biochemistry, 37, 1998
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8PDT
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5LO5
 | | HSP90 WITH indole derivative | | Descriptor: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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1E4H
 | | Structure of human transthyretin complexed with bromophenols: a new mode of binding | | Descriptor: | GLYCEROL, PENTABROMOPHENOL, TRANSTHYRETIN | | Authors: | Ghosh, M, Meerts, I.A.T.M, Cook, A, Bergman, A, Brouwer, A, Johnson, L.N. | | Deposit date: | 2000-07-04 | | Release date: | 2000-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Acta Crystallogr.,Sect.D, 56, 2000
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5LOB
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1E1S
 | | Human prion protein variant S170N | | Descriptor: | PRION PROTEIN | | Authors: | Calzolai, L, Lysek, D.A, Guntert, P, Von Schroetter, C, Zahn, R, Riek, R, Wuthrich, K. | | Deposit date: | 2000-05-10 | | Release date: | 2000-07-21 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of Three Single-Residue Variants of the Human Prion Protein
Proc.Natl.Acad.Sci.USA, 97, 2000
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8PC8
 | | Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with hexamannuronic acid | | Descriptor: | Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid | | Authors: | Wilknes, C. | | Deposit date: | 2023-06-10 | | Release date: | 2023-07-12 | | Last modified: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Unraveling the molecular mechanism of polysaccharide lyases for efficient alginate degradation.
Nat Commun, 16, 2025
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5LOW
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1DXC
 | | CO complex of Myoglobin Mb-YQR at 100K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | | Deposit date: | 2000-01-03 | | Release date: | 2000-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Novel Photolytic Intermediate of Myoglobin
Proc.Natl.Acad.Sci.USA, 97, 2000
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1M5K
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1DY9
 | | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor I) | | Descriptor: | N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ... | | Authors: | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | | Deposit date: | 2000-01-31 | | Release date: | 2001-01-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
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9G76
 | | Crystal structure of ASGPR with bound GalNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, Asialoglycoprotein receptor 1, ... | | Authors: | Schreuder, H.A, Hofmeister, A. | | Deposit date: | 2024-07-19 | | Release date: | 2025-03-19 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo.
J.Med.Chem., 68, 2025
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