2YGE
 
 | | E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL | | Authors: | Roe, M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2011-04-14 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
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2YGF
 | | L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL | | Authors: | Roe, M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2011-04-14 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
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4N8E
 | | DPP4 complexed with compound 12a | | Descriptor: | 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2013-10-17 | | Release date: | 2014-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
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4PVV
 | | Micobacterial Adenosine Kinase in complex with inhibitor | | Descriptor: | 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase | | Authors: | Pichova, I, Hocek, M, Dostal, J, Rezacova, P. | | Deposit date: | 2014-03-18 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
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6FER
 | | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | | Descriptor: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-03 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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6FK3
 | | Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant full-length protein in complex with propanal) | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | | Deposit date: | 2018-01-23 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension.
Sci Rep, 8, 2018
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6ESM
 | | Crystal structure of MMP9 in complex with inhibitor BE4. | | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | Deposit date: | 2017-10-23 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.104 Å) | | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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1TUC
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3RE7
 | | Copper (II) loaded Bullfrog Ferritin M chain | | Descriptor: | COPPER (II) ION, Ferritin, middle subunit | | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | | Deposit date: | 2011-04-02 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
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2FIB
 | | RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) COMPLEXED TO THE PEPTIDE GLY-PRO-ARG-PRO AT PH 6.0 | | Descriptor: | CALCIUM ION, FIBRINOGEN, GLY-PRO-ARG-PRO | | Authors: | Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W. | | Deposit date: | 1997-06-03 | | Release date: | 1997-10-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
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6BBN
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1XTL
 | | Crystal structure of P104H mutant of SOD-like protein from Bacillus subtilis. | | Descriptor: | COPPER (II) ION, Hypothetical superoxide dismutase-like protein yojM, ZINC ION | | Authors: | Calderone, V, Mangani, S, Banci, L, Benvenuti, M, Bertini, I, Viezzoli, M.S, Fantoni, A. | | Deposit date: | 2004-10-22 | | Release date: | 2005-10-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis.
J.Am.Chem.Soc., 127, 2005
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6B2G
 | | P38A mutant of HIV-1 capsid protein | | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION | | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
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6B2I
 | | E45A mutant of the HIV-1 capsid protein | | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION | | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
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1T7K
 | | Crystal Structure of HIV Protease complexed with Arylsulfonamide azacyclic urea | | Descriptor: | 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE, Pol polyprotein [Contains: Protease (Retropepsin)] | | Authors: | Huang, P.P, Randolph, J.T, Klein, L.L, Vasavanonda, S, Dekhtyar, T, Stoll, V.S, Kempf, D.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis and Antiviral Activity of P1' Arylsulfonamide Azacyclic Urea HIV Protease Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
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3RBC
 | | Bullfrog M ferritin with iron(III) bound to the ferroxidase site | | Descriptor: | FE (III) ION, Ferritin, middle subunit | | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | | Deposit date: | 2011-03-29 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
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1SXJ
 | | Crystal Structure of the Eukaryotic Clamp Loader (Replication Factor C, RFC) Bound to the DNA Sliding Clamp (Proliferating Cell Nuclear Antigen, PCNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Activator 1 37 kDa subunit, Activator 1 40 kDa subunit, ... | | Authors: | Bowman, G.D, O'Donnell, M, Kuriyan, J. | | Deposit date: | 2004-03-30 | | Release date: | 2004-06-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural analysis of a eukaryotic sliding DNA clamp-clamp loader complex.
Nature, 429, 2004
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3BDM
 | | yeast 20S proteasome:glidobactin A-complex | | Descriptor: | (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Dudler, R, Kaiser, M. | | Deposit date: | 2007-11-15 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
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1BJQ
 | | THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH ADENINE | | Descriptor: | ADENINE, CALCIUM ION, LECTIN, ... | | Authors: | Hamelryck, T.W, Loris, R, Bouckaert, J, Dao-Thi, M.H, Wyns, L, Etzler, M. | | Deposit date: | 1998-06-26 | | Release date: | 1998-12-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
J.Mol.Biol., 286, 1999
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3ROC
 | | Crystal structure of human p38 alpha complexed with a pyrimidinone compound | | Descriptor: | 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide, 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Shieh, H.-S, Xing, L. | | Deposit date: | 2011-04-25 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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4OKC
 | | Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis | | Descriptor: | LysM domain protein | | Authors: | Patra, D, Mishra, P, Surolia, A, Vijayan, M. | | Deposit date: | 2014-01-22 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis.
Glycobiology, 24, 2014
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6N22
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3PKY
 | | Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA, UTP and Manganese. | | Descriptor: | DNA 5'-D(*G*CP*CP*GP*CP*AP*AP*CP*GP*CP*AP*CP*G)-3', DNA 5'-D(P*GP*CP*GP*GP*C)-3', MANGANESE (II) ION, ... | | Authors: | Brissett, N.C, Fox, G.C, Pitcher, R.S, Doherty, A.J. | | Deposit date: | 2010-11-12 | | Release date: | 2011-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of a Preternary Complex Involving a Prokaryotic NHEJ DNA Polymerase.
Mol.Cell, 41, 2011
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2JO7
 | | Solution structure of the adhesion protein Bd37 from Babesia divergens | | Descriptor: | Glycosylphosphatidylinositol-anchored merozoite surface protein | | Authors: | Auguin, D, Yang, Y, Lohr, F, Arold, S, Schetters, T, Precigout, E, Gorenflot, A, Delbecq, S, Roumestand, C. | | Deposit date: | 2007-02-26 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | The Solution Structure of the Adhesion Protein Bd37 from Babesia divergens Reveals Structural Homology with Eukaryotic Proteins Involved in Membrane Trafficking
J.Mol.Biol., 375, 2007
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1ZG5
 | | NarL complexed to narG-89 promoter palindromic tail-to-tail DNA site | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*CP*CP*CP*TP*AP*TP*AP*GP*GP*GP*GP*TP*AP*CP*G)-3', Nitrate/nitrite response regulator protein narL, SULFATE ION | | Authors: | Maris, A.E, Kaczor-Grzeskowiak, M, Ma, Z, Kopka, M.L, Gunsalus, R.P, Dickerson, R.E. | | Deposit date: | 2005-04-20 | | Release date: | 2005-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Primary and Secondary Modes of DNA Recognition by the NarL Two-Component Response Regulator.
Biochemistry, 44, 2005
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