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3OMJ
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Structural Basis for Cyclic Py-Im Polyamide Allosteric Inhibition of Nuclear Receptor Binding
分子名称: (23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 5'-D(*CP*(C38)P*AP*GP*TP*AP*CP*TP*GP*G)-3', CALCIUM ION
著者Chenoweth, D.M.
登録日2010-08-27
公開日2010-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structural basis for cyclic py-im polyamide allosteric inhibition of nuclear receptor binding.
J.Am.Chem.Soc., 132, 2010
4QIO
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Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCGCCIA) at high resolution
分子名称: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*IP*A)-3', BARIUM ION, CHLORIDE ION, ...
著者Gurung, S.P, Hall, J.P, Cardin, C.J.
登録日2014-06-01
公開日2015-06-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Inosine Can Increase DNA's Susceptibility to Photo-oxidation by a Ru II Complex due to Structural Change in the Minor Groove.
Chemistry, 23, 2017
4F19
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BU of 4f19 by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 4.5
分子名称: Putative alkaline phosphatase, hydrogen arsenate
著者Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S.
登録日2012-05-06
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
1A7Z
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CRYSTAL STRUCTURE OF ACTINOMYCIN Z3
分子名称: ACTINOMYCIN Z3, BENZENE
著者Schafer, M.
登録日1998-03-19
公開日1999-03-23
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structures of Actinomycin D and Actinomycin Z3.
Angew.Chem.Int.Ed.Engl., 37, 1998
3VLA
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BU of 3vla by Molmil
Crystal structure of edgp
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EDGP
著者Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H.
登録日2011-11-30
公開日2012-04-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor
J.Biol.Chem., 287, 2012
3WGE
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BU of 3wge by Molmil
Crystal structure of ERp46 Trx2
分子名称: GLYCEROL, Thioredoxin domain-containing protein 5
著者Inaba, K, Suzuki, M, Kojima, R.
登録日2013-08-04
公開日2014-06-25
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family
Structure, 22, 2014
6IIP
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Apo-form structure of the HRP3 PWWP domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hepatoma-derived growth factor-related protein 3, SULFATE ION
著者Wang, Z, Tian, W.
登録日2018-10-07
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.951 Å)
主引用文献Apo-form structure of the HRP3 PWWP domain
Nucleic Acids Res., 2019
5E7W
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X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom
分子名称: ACETATE ION, Insulin, N-PROPANOL, ...
著者Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C.
登録日2015-10-13
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.9519 Å)
主引用文献Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.
Chem Cent J, 11, 2017
5OUK
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Crystal structure of human AKR1B1 complexed with NADP+ and compound 41
分子名称: 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A.
登録日2017-08-24
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.959 Å)
主引用文献Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
6RKN
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Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide.
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-FLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-04-30
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.959 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6I74
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Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2018-11-15
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.959 Å)
主引用文献Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
1K5C
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Endopolygalacturonase I from Stereum purpureum at 0.96 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ...
著者Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H.
登録日2001-10-10
公開日2002-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution.
Biochemistry, 41, 2002
3KFF
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BU of 3kff by Molmil
Major mouse urinary protein IV complexed with 2-sec-butyl-4,5-dihydrothiazole
分子名称: 2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, CHLORIDE ION, ...
著者Perez-Miller, S, Zou, Q, Hurley, T.D.
登録日2009-10-27
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
4R5R
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BU of 4r5r by Molmil
Crystal structure of Rhodostomin KKKRT mutant
分子名称: Disintegrin rhodostomin
著者Huang, C.H, Shiu, J.H, Chang, Y.T, Jeng, W.Y, Chuang, W.J.
登録日2014-08-21
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Effects of the regions adjacent to the RGD motif in disintegrins on their inhibitory activities and structures
To be Published
4F18
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BU of 4f18 by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 8.5
分子名称: Putative alkaline phosphatase, hydrogen arsenate
著者Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S.
登録日2012-05-06
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
5DP2
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CurF ER cyclopropanase from curacin A biosynthetic pathway
分子名称: CurF, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Khare, D, Smith, J.L.
登録日2015-09-12
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
3O5Q
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BU of 3o5q by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form IV, in presence of DMSO
分子名称: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
登録日2010-07-28
公開日2011-06-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
1U2H
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BU of 1u2h by Molmil
X-ray Structure of the N-terminally truncated human APEP-1
分子名称: Aortic preferentially expressed protein 1
著者Manjasetty, B.A, Scheich, C, Roske, Y, Niesen, F.H, Gotz, F, Bussow, K, Heinemann, U.
登録日2004-07-19
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献X-ray structure of engineered human Aortic Preferentially Expressed Protein-1 (APEG-1)
Bmc Struct.Biol., 5, 2005
5ZJC
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BU of 5zjc by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY41
分子名称: (2S)-2-methyl-3-sulfanyl-propan-1-ol, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-20
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Crystal structure of NDM-1
to be published
1UFY
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BU of 1ufy by Molmil
Crystal analysis of chorismate mutase from thermus thermophilus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Chorismate mutase, ...
著者Inagaki, E, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-06-11
公開日2003-07-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献The Crystal Structure of Chorismate Mutase from Thermus Thermophilus
To be Published
6JPT
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BU of 6jpt by Molmil
Crystal structure of human PAC3 homodimer (trigonal form)
分子名称: POTASSIUM ION, Proteasome assembly chaperone 3, THIOCYANATE ION
著者Satoh, T, Yagi-Utsumi, M, Okamoto, K, Kurimoto, E, Tanaka, K, Kato, K.
登録日2019-03-27
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Molecular and Structural Basis of the Proteasome alpha Subunit Assembly Mechanism Mediated by the Proteasome-Assembling Chaperone PAC3-PAC4 Heterodimer.
Int J Mol Sci, 20, 2019
1LUQ
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Full Matrix Error Analysis of Streptavidin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BIOTIN, GLYCEROL, ...
著者Merritt, E.A, Le Trong, I.
登録日2002-05-23
公開日2003-09-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Full Matrix Error Analysis of Streptavidin
To be Published
6J60
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hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
分子名称: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
著者Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
登録日2019-01-12
公開日2019-04-03
最終更新日2024-03-27
実験手法ELECTRON CRYSTALLOGRAPHY (0.96 Å)
主引用文献Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
5ZJ1
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Crystal structure of NDM-1 in complex with D-captopril derivative CYT-14
分子名称: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Zhang, H, Hao, Q.
登録日2018-03-18
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Crystal structure of NDM-1
to be published
8AQP
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Structure of Human Aldose Reductase Mutant A299G/L300A with a Citrate Molecule Bound in the Anion Binding Pocket
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Hubert, L.-S, Heine, A, Klebe, G.
登録日2022-08-13
公開日2023-08-23
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Structure of Human Aldose Reductase Mutant A299G/L300A with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published

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