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7BIW
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BU of 7biw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
分子名称: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-13
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
1FGO
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BU of 1fgo by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q495A MUTANT
分子名称: FE (III) ION, SEED LIPOXYGENASE-1
著者Tomchick, D.R, Minor, W, Holman, T.
登録日2000-07-28
公開日2001-07-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
7BJB
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BU of 7bjb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
分子名称: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
2ANZ
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BU of 2anz by Molmil
cytochrome c peroxidase in complex with 2,6-diaminopyridine
分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-11
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
1FAH
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BU of 1fah by Molmil
STRUCTURE OF CYTOCHROME P450
分子名称: CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
著者Li, H.Y, Poulos, T.L.
登録日1996-08-01
公開日1997-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The role of Thr268 in oxygen activation of cytochrome P450BM-3.
Biochemistry, 34, 1995
7R70
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BU of 7r70 by Molmil
Crystal Structure of the UbArk2C fusion protein
分子名称: GLYCEROL, Ubiquitin,E3 ubiquitin-protein ligase RNF165, ZINC ION
著者Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
登録日2021-06-24
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
1XS9
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BU of 1xs9 by Molmil
A MODEL OF THE TERNARY COMPLEX FORMED BETWEEN MARA, THE ALPHA-CTD OF RNA POLYMERASE AND DNA
分子名称: 5'-D(P*AP*TP*GP*CP*CP*AP*CP*GP*TP*TP*TP*TP*GP*CP*TP*AP*AP*AP*TP*C)-3', 5'-D(P*GP*AP*TP*TP*TP*AP*GP*CP*AP*AP*AP*AP*CP*GP*TP*GP*GP*CP*AP*T)-3', DNA-directed RNA polymerase alpha chain, ...
著者Dangi, B, Gronenborn, A.M, Rosner, J.L, Martin, R.G.
登録日2004-10-18
公開日2004-10-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Versatility of the carboxy-terminal domain of the alpha subunit of RNA polymerase in transcriptional activation: use of the DNA contact site as a protein contact site for MarA.
Mol.Microbiol., 54, 2004
2AS3
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BU of 2as3 by Molmil
cytochrome c peroxidase in complex with phenol
分子名称: Cytochrome c peroxidase, mitochondrial, PHENOL, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-22
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
1FLG
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BU of 1flg by Molmil
CRYSTAL STRUCTURE OF THE QUINOPROTEIN ETHANOL DEHYDROGENASE FROM PSEUDOMONAS AERUGINOSA
分子名称: CALCIUM ION, PROTEIN (QUINOPROTEIN ETHANOL DEHYDROGENASE), PYRROLOQUINOLINE QUINONE
著者Keitel, T, Diehl, A, Knaute, T, Stezowski, J.J, Hohne, W, Gorisch, H.
登録日2000-08-14
公開日2000-08-30
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structure of the quinoprotein ethanol dehydrogenase from Pseudomonas aeruginosa: basis of substrate specificity.
J.Mol.Biol., 297, 2000
1JAY
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BU of 1jay by Molmil
Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO) with its substrates bound
分子名称: COENZYME F420, Coenzyme F420H2:NADP+ Oxidoreductase (FNO), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Warkentin, E, Mamat, B, Thauer, R, Ermler, U, Shima, S.
登録日2001-06-01
公開日2001-12-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of F420H2:NADP+ oxidoreductase with and without its substrates bound.
EMBO J., 20, 2001
7R71
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BU of 7r71 by Molmil
Crystal Structure of the UbArk2C-UbcH5b~Ub complex
分子名称: Ubiquitin, Ubiquitin,E3 ubiquitin-protein ligase RNF165, Ubiquitin-conjugating enzyme E2 D2, ...
著者Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
登録日2021-06-24
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
2ATW
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BU of 2atw by Molmil
Structure of a Mycobacterium tuberculosis NusA-RNA complex
分子名称: Transcription elongation protein nusA, ribosomal RNA (5'- AGAACUCAAUAG -3')
著者Beuth, B, Pennell, S, Arnvig, K.B, Martin, S.R, Taylor, I.A.
登録日2005-08-26
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of a Mycobacterium tuberculosis NusA-RNA complex.
Embo J., 24, 2005
4MT7
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BU of 4mt7 by Molmil
Crystal structure of collybistin I
分子名称: Rho guanine nucleotide exchange factor 9
著者Schneeberger, D, Schindelin, H.
登録日2013-09-19
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A conformational switch in collybistin determines the differentiation of inhibitory postsynapses.
Embo J., 33, 2014
1JDJ
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BU of 1jdj by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE
分子名称: 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE
著者Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J.
登録日2001-06-14
公開日2002-06-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Chem.Biol., 9, 2002
3JTL
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BU of 3jtl by Molmil
Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
登録日2009-09-12
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Models for Interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
7VR0
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BU of 7vr0 by Molmil
Human Serum Albumin
分子名称: Serum albumin
著者Xiang, W, Yue, Z.L, Su, J.Y.
登録日2021-10-21
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Human Serum Albumin
To Be Published
4MVX
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BU of 4mvx by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWC
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BU of 4mwc by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540)
分子名称: 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
1GB2
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BU of 1gb2 by Molmil
CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
分子名称: LYSOZYME, SODIUM ION
著者Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
登録日2000-06-26
公開日2000-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
4MVY
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BU of 4mvy by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
1GB9
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BU of 1gb9 by Molmil
CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
分子名称: LYSOZYME, SODIUM ION
著者Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
登録日2000-06-26
公開日2000-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
3ANG
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BU of 3ang by Molmil
Crystal structure of Thermus thermophilus FadR in complex with E. coli-derived dodecyl-CoA
分子名称: DODECYL-COA, Transcriptional repressor, TetR family
著者Agari, Y, Sakamoto, K, Agari, K, Kuramitsu, S, Shinkai, A.
登録日2010-09-01
公開日2011-03-09
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献TetR-family transcriptional repressor Thermus thermophilus FadR controls fatty acid degradation.
Microbiology, 157, 2011
1FZ2
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METHANE MONOOXYGENASE HYDROXYLASE, FORM II MIXED-VALENT GENERATED BY CRYSTAL SOAKING
分子名称: CALCIUM ION, FE (II) ION, METHANE MONOOXYGENASE COMPONENT A, ...
著者Whittington, D.A, Lippard, S.J.
登録日2000-10-03
公開日2001-02-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of the soluble methane monooxygenase hydroxylase from Methylococcus capsulatus (Bath) demonstrating geometrical variability at the dinuclear iron active site.
J.Am.Chem.Soc., 123, 2001
4RQ7
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Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dATP soaked with MgCl2 for 1hr
分子名称: ACETATE ION, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Vyas, R, Reed, A.J, Suo, Z.
登録日2014-10-31
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
3A8K
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Crystal Structure of ETD97N-EHred complex
分子名称: Aminomethyltransferase, Glycine cleavage system H protein
著者Okamura-Ikeda, K, Hosaka, H.
登録日2009-10-06
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010

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