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2YGE
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BU of 2yge by Molmil
E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL
著者Roe, M, Prodromou, C, Pearl, L.H.
登録日2011-04-14
公開日2011-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.956 Å)
主引用文献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
2YGF
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BU of 2ygf by Molmil
L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL
著者Roe, M, Prodromou, C, Pearl, L.H.
登録日2011-04-14
公開日2011-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4N8E
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BU of 4n8e by Molmil
DPP4 complexed with compound 12a
分子名称: 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2013-10-17
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
4PVV
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BU of 4pvv by Molmil
Micobacterial Adenosine Kinase in complex with inhibitor
分子名称: 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase
著者Pichova, I, Hocek, M, Dostal, J, Rezacova, P.
登録日2014-03-18
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
6FER
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BU of 6fer by Molmil
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
分子名称: 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
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献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
6FK3
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BU of 6fk3 by Molmil
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)
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T.
登録日2018-01-23
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension.
Sci Rep, 8, 2018
6ESM
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BU of 6esm by Molmil
Crystal structure of MMP9 in complex with inhibitor BE4.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-23
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.104 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
1TUC
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BU of 1tuc by Molmil
ALPHA-SPECTRIN SRC HOMOLOGY 3 DOMAIN, CIRCULAR PERMUTANT, CUT AT S19-P20
分子名称: ALPHA-SPECTRIN
著者Wilmanns, M, Serrano, L, Viguera, A.R.
登録日1996-02-29
公開日1996-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The order of secondary structure elements does not determine the structure of a protein but does affect its folding kinetics.
J.Mol.Biol., 247, 1995
3RE7
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BU of 3re7 by Molmil
Copper (II) loaded Bullfrog Ferritin M chain
分子名称: COPPER (II) ION, Ferritin, middle subunit
著者Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
登録日2011-04-02
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
2FIB
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BU of 2fib by Molmil
RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) COMPLEXED TO THE PEPTIDE GLY-PRO-ARG-PRO AT PH 6.0
分子名称: CALCIUM ION, FIBRINOGEN, GLY-PRO-ARG-PRO
著者Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W.
登録日1997-06-03
公開日1997-10-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
6BBN
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BU of 6bbn by Molmil
Crystal structure of a curved tubulin complex induced by the kinesin-13 Kif2A
分子名称: DARPin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Allingham, J.S, Trofimova, D.
登録日2017-10-19
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.514 Å)
主引用文献Ternary complex of Kif2A-bound tandem tubulin heterodimers represents a kinesin-13-mediated microtubule depolymerization reaction intermediate.
Nat Commun, 9, 2018
1XTL
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BU of 1xtl by Molmil
Crystal structure of P104H mutant of SOD-like protein from Bacillus subtilis.
分子名称: COPPER (II) ION, Hypothetical superoxide dismutase-like protein yojM, ZINC ION
著者Calderone, V, Mangani, S, Banci, L, Benvenuti, M, Bertini, I, Viezzoli, M.S, Fantoni, A.
登録日2004-10-22
公開日2005-10-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis.
J.Am.Chem.Soc., 127, 2005
6B2G
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BU of 6b2g by Molmil
P38A mutant of HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2I
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BU of 6b2i by Molmil
E45A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
1T7K
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BU of 1t7k by Molmil
Crystal Structure of HIV Protease complexed with Arylsulfonamide azacyclic urea
分子名称: 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)]
著者Huang, P.P, Randolph, J.T, Klein, L.L, Vasavanonda, S, Dekhtyar, T, Stoll, V.S, Kempf, D.J.
登録日2004-05-10
公開日2004-10-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and Antiviral Activity of P1' Arylsulfonamide Azacyclic Urea HIV Protease Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
3RBC
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BU of 3rbc by Molmil
Bullfrog M ferritin with iron(III) bound to the ferroxidase site
分子名称: FE (III) ION, Ferritin, middle subunit
著者Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
登録日2011-03-29
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
1SXJ
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BU of 1sxj by Molmil
Crystal Structure of the Eukaryotic Clamp Loader (Replication Factor C, RFC) Bound to the DNA Sliding Clamp (Proliferating Cell Nuclear Antigen, PCNA)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Activator 1 37 kDa subunit, Activator 1 40 kDa subunit, ...
著者Bowman, G.D, O'Donnell, M, Kuriyan, J.
登録日2004-03-30
公開日2004-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural analysis of a eukaryotic sliding DNA clamp-clamp loader complex.
Nature, 429, 2004
3BDM
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BU of 3bdm by Molmil
yeast 20S proteasome:glidobactin A-complex
分子名称: (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, ...
著者Groll, M, Dudler, R, Kaiser, M.
登録日2007-11-15
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
1BJQ
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BU of 1bjq by Molmil
THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH ADENINE
分子名称: ADENINE, CALCIUM ION, LECTIN, ...
著者Hamelryck, T.W, Loris, R, Bouckaert, J, Dao-Thi, M.H, Wyns, L, Etzler, M.
登録日1998-06-26
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
J.Mol.Biol., 286, 1999
3ROC
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BU of 3roc by Molmil
Crystal structure of human p38 alpha complexed with a pyrimidinone compound
分子名称: 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
著者Shieh, H.-S, Xing, L.
登録日2011-04-25
公開日2011-06-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4OKC
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BU of 4okc by Molmil
Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis
分子名称: LysM domain protein
著者Patra, D, Mishra, P, Surolia, A, Vijayan, M.
登録日2014-01-22
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis.
Glycobiology, 24, 2014
6N22
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BU of 6n22 by Molmil
Crystal structure of mouse Protocadherin-15 EC1-2 BAP
分子名称: CALCIUM ION, Protocadherin-15
著者Narui, Y, Sotomayor, M.
登録日2018-11-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 117, 2020
3PKY
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BU of 3pky by Molmil
Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA, UTP and Manganese.
分子名称: 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, ...
著者Brissett, N.C, Fox, G.C, Pitcher, R.S, Doherty, A.J.
登録日2010-11-12
公開日2011-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of a Preternary Complex Involving a Prokaryotic NHEJ DNA Polymerase.
Mol.Cell, 41, 2011
2JO7
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BU of 2jo7 by Molmil
Solution structure of the adhesion protein Bd37 from Babesia divergens
分子名称: Glycosylphosphatidylinositol-anchored merozoite surface protein
著者Auguin, D, Yang, Y, Lohr, F, Arold, S, Schetters, T, Precigout, E, Gorenflot, A, Delbecq, S, Roumestand, C.
登録日2007-02-26
公開日2007-12-11
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献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
1ZG5
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BU of 1zg5 by Molmil
NarL complexed to narG-89 promoter palindromic tail-to-tail DNA site
分子名称: 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
著者Maris, A.E, Kaczor-Grzeskowiak, M, Ma, Z, Kopka, M.L, Gunsalus, R.P, Dickerson, R.E.
登録日2005-04-20
公開日2005-11-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Primary and Secondary Modes of DNA Recognition by the NarL Two-Component Response Regulator.
Biochemistry, 44, 2005

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