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4DK7
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BU of 4dk7 by Molmil
Crystal structure of LXR ligand binding domain in complex with full agonist 1
分子名称: ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ...
著者Piper, D.E, Xu, H.
登録日2012-02-03
公開日2012-03-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22, 2012
6KX9
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BU of 6kx9 by Molmil
Crystal structure of 8-mer peptide from avian influenza H5N1 virus in complex with BF2*1501
分子名称: 8-pepide (ARG-ARG-ALA-LEU-ARG-GLU-GLY-TYR), Beta-2-microglobulin, MHC class I
著者Xiao, L, Zhang, L.
登録日2019-09-10
公開日2020-04-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structures of the MHC-I molecule BF2*1501 disclose the preferred presentation of an H5N1 virus-derived epitope.
J.Biol.Chem., 295, 2020
2D21
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BU of 2d21 by Molmil
NMR Structure of stereo-array isotope labelled (SAIL) maltodextrin-binding protein (MBP)
分子名称: Maltose-binding periplasmic protein
著者Kainosho, M, Torizawa, T, Iwashita, Y, Terauchi, T, Ono, A.M, Guntert, P.
登録日2005-09-02
公開日2006-03-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Optimal isotope labelling for NMR protein structure determinations.
Nature, 440, 2006
1K0J
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BU of 1k0j by Molmil
Pseudomonas aeruginosa phbh R220Q in complex with NADPH and free of p-OHB
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, P-HYDROXYBENZOATE HYDROXYLASE, ...
著者Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L.
登録日2001-09-19
公開日2002-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
3H5E
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BU of 3h5e by Molmil
LeuD_1-156 small subunit of isopropylmalate isomerase (Rv2987c) from mycobacterium tuberculosis
分子名称: 3-isopropylmalate dehydratase small subunit
著者Manikandan, K, Geerlof, A, Weiss, M.S.
登録日2009-04-22
公開日2010-04-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies on the enzyme complex isopropylmalate isomerase (LeuCD) from Mycobacterium tuberculosis
Proteins, 79, 2011
3UKA
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BU of 3uka by Molmil
CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase
著者Van Straaten, K.E, Sanders, D.A.R.
登録日2011-11-09
公開日2012-02-22
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
2A3I
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BU of 2a3i by Molmil
Structural and Biochemical Mechanisms for the Specificity of Hormone Binding and Coactivator Assembly by Mineralocorticoid Receptor
分子名称: CORTICOSTERONE, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ...
著者Li, Y, Suino, K, Daugherty, J, Xu, H.E.
登録日2005-06-24
公開日2005-07-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and biochemical mechanisms for the specificity of hormone binding and coactivator assembly by mineralocorticoid receptor
Mol.Cell, 19, 2005
2AAQ
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BU of 2aaq by Molmil
Crystal Structure Analysis of the human Glutahione Reductase, complexed with GoPI
分子名称: 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Urig, S, Fritz-Wolf, K, Reau, R, Herold-Mende, C, Toth, K, Davioud-Charvet, E, Becker, K.
登録日2005-07-14
公開日2006-04-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Undressing of Phosphine Gold(I) Complexes as Irreversible Inhibitors of Human Disulfide Reductases.
Angew.Chem.Int.Ed.Engl., 45, 2006
1JE4
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BU of 1je4 by Molmil
Solution structure of the monomeric variant of the chemokine MIP-1beta
分子名称: macrophage inflammatory protein 1-beta
著者Kim, S, Jao, S, Laurence, J.S, LiWang, P.J.
登録日2001-06-15
公開日2001-10-03
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Structural comparison of monomeric variants of the chemokine MIP-1beta having differing ability to bind the receptor CCR5.
Biochemistry, 40, 2001
2ACQ
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BU of 2acq by Molmil
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D.
登録日1994-04-15
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
4GZZ
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BU of 4gzz by Molmil
Crystal structures of bacterial RNA Polymerase paused elongation complexes
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Weixlbaumer, A, Leon, K, Landick, R, Darst, S.A.
登録日2012-09-06
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.2927 Å)
主引用文献Structural basis of transcriptional pausing in bacteria.
Cell(Cambridge,Mass.), 152, 2013
3NP2
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BU of 3np2 by Molmil
Crystal Structure of Pd(allyl)/apo-E45C/C48A-rHLFr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
著者Wang, Z, Ueno, T, Abe, S, Takezawa, Y, Aoyagi, H, Hikage, T, Watanabe, Y, Kitagawa, S.
登録日2010-06-27
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Definite coordination arrangement of organometallic palladium complexes accumulated on the designed interior surface of apo-ferritin.
Chem.Commun.(Camb.), 47, 2011
6KRQ
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BU of 6krq by Molmil
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) 0Cys F80A mutant
分子名称: CITRIC ACID, Peroxiredoxin
著者Himiyama, T, Nakamura, T.
登録日2019-08-22
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Disassembly of the ring-type decameric structure of peroxiredoxin from Aeropyrum pernix K1 by amino acid mutation.
Protein Sci., 29, 2020
1JN3
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BU of 1jn3 by Molmil
FIDELITY PROPERTIES AND STRUCTURE OF M282L MUTATOR MUTANT OF DNA POLYMERASE: SUBTLE STRUCTURAL CHANGES INFLUENCE THE MECHANISM OF NUCLEOTIDE DISCRIMINATION
分子名称: DNA POLYMERASE BETA
著者Conn, D.A, Sweasy, J.B, Jaeger, J.
登録日2001-07-22
公開日2001-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A DNA polymerase beta mutator mutant with reduced nucleotide discrimination and increased protein stability
Biochemistry, 40, 2001
4JCT
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BU of 4jct by Molmil
ClpP2 from Listeria monocytogenes
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Zeiler, E, List, A, Alte, F, Gersch, M, Wachtel, R, Groll, M, Sieber, S.
登録日2013-02-22
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J7A
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BU of 4j7a by Molmil
Crystal Structure of Est25 - a Bacterial Homolog of Hormone-Sensitive Lipase from a Metagenomic Library
分子名称: Esterase
著者Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Park, K.S, Joo, S.B, Kim, K.K, Kim, D.H.
登録日2013-02-13
公開日2014-01-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.492 Å)
主引用文献Structural and functional analyses of a bacterial homologue of hormone-sensitive lipase from a metagenomic library
Acta Crystallogr.,Sect.D, 69, 2014
4J90
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BU of 4j90 by Molmil
Square-shaped octameric structure of KtrA with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A
著者Vieira-Pires, R.S, Morais-Cabral, J.H.
登録日2013-02-15
公開日2013-04-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献The structure of the KtrAB potassium transporter
Nature, 496, 2013
3GTM
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BU of 3gtm by Molmil
Co-complex of Backtracked RNA polymerase II with TFIIS
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
6LIN
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BU of 6lin by Molmil
Crystal structure of human PDK2 complexed with GM10030
分子名称: 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kang, J, Kim, J.
登録日2019-12-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
1ROZ
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BU of 1roz by Molmil
Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form
分子名称: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
登録日2003-12-02
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
2H15
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BU of 2h15 by Molmil
Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE, ...
著者Winum, J.Y, Temperini, C, Ciattini, S, Scozzafava, A, Supuran, C.T.
登録日2006-05-16
公開日2007-03-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue.
J.Med.Chem., 49, 2006
3W0D
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BU of 3w0d by Molmil
Structure of elastase inhibitor AFUEI (cyrstal form I)
分子名称: Elastase inhibitor AFUEI
著者Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M.
登録日2012-10-29
公開日2013-05-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus
J.Biol.Chem., 288, 2013
4HFM
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BU of 4hfm by Molmil
X-ray Crystal Structure of a NADP(H)-bound Double Bond Reductase from Nicotiana tabacum
分子名称: Allyl alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Toogood, H.S, Scrutton, N.S.
登録日2012-10-05
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biocatalytic Asymmetric Alkene Reduction: Crystal Structure and Characterization of a Double Bond Reductase fromNicotiana tabacum.
ACS Catal, 3, 2013
2GLX
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BU of 2glx by Molmil
Crystal Structure Analysis of bacterial 1,5-AF Reductase
分子名称: 1,5-anhydro-D-fructose reductase, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dambe, T.R, Scheidig, A.J.
登録日2006-04-05
公開日2006-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of NADP(H)-Dependent 1,5-Anhydro-d-fructose Reductase from Sinorhizobium morelense at 2.2 A Resolution: Construction of a NADH-Accepting Mutant and Its Application in Rare Sugar Synthesis
Biochemistry, 45, 2006
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020

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