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3S68
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Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0
分子名称: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2011-05-25
公開日2012-02-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
1QKE
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BU of 1qke by Molmil
ERABUTOXIN
分子名称: ERABUTOXIN A, SULFATE ION
著者Nastopoulos, V, Kanellopoulos, P.N, Tsernoglou, D.
登録日1998-01-16
公開日1999-02-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of dimeric and monomeric erabutoxin a refined at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
2JCV
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BU of 2jcv by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L.
登録日2007-01-04
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis.
J.Biol.Chem., 282, 2007
2JCX
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X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L.
登録日2007-01-04
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis.
J.Biol.Chem., 282, 2007
2JD0
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BU of 2jd0 by Molmil
X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with NADPH
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L.
登録日2007-01-04
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis.
J.Biol.Chem., 282, 2007
1LJW
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BU of 1ljw by Molmil
Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition
分子名称: CARBON MONOXIDE, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Safo, M.K, Burnett, J.C, Musayev, F.N, Nokuri, S, Abraham, D.J.
登録日2002-04-22
公開日2002-05-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of human carbonmonoxyhemoglobin at 2.16 A: a snapshot of the allosteric transition.
Acta Crystallogr.,Sect.D, 58, 2002
4LFU
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BU of 4lfu by Molmil
Crystal structure of Escherichia coli SdiA in the space group C2
分子名称: CHLORIDE ION, Regulatory protein SdiA, TETRAETHYLENE GLYCOL
著者Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K.
登録日2013-06-27
公開日2014-03-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor
Acta Crystallogr.,Sect.D, 70, 2014
3ONM
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BU of 3onm by Molmil
Effector binding Domain of LysR-Type transcription factor RovM from Y. pseudotuberculosis
分子名称: Transcriptional regulator LrhA
著者Quade, N, Diekmann, M, Haffke, M, Heroven, A.K, Dersch, P, Heinz, D.W.
登録日2010-08-30
公開日2011-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the effector-binding domain of the LysR-type transcription factor RovM from Yersinia pseudotuberculosis.
Acta Crystallogr.,Sect.D, 67, 2011
2JCY
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BU of 2jcy by Molmil
X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, SULFATE ION
著者Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L.
登録日2007-01-04
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of Mycobacterium Tuberculosis 1-Deoxy-D- Xylulose-5-Phosphate Reductoisomerase Provide New Insights Into Catalysis.
J.Biol.Chem., 282, 2007
2JAF
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BU of 2jaf by Molmil
Ground state of halorhodopsin T203V
分子名称: CHLORIDE ION, Halorhodopsin, PALMITIC ACID, ...
著者Gmelin, W, Zeth, K, Efremov, R, Heberle, J, Tittor, J, Oesterhelt, D.
登録日2006-11-28
公開日2006-12-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of the L1 intermediate of halorhodopsin at 1.9 angstroms resolution.
Photochem. Photobiol., 83, 2007
3FLQ
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BU of 3flq by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
2E8Z
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BU of 2e8z by Molmil
Crystal structure of pullulanase type I from Bacillus subtilis str. 168 complexed with alpha-cyclodextrin
分子名称: ACETATE ION, AmyX protein, CALCIUM ION, ...
著者Mikami, B, Malle, D, Utsumi, S, Iwamoto, H, Katsuya, Y.
登録日2007-01-24
公開日2008-02-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of pullulanase type I from Bacillus subtilis str. 168 in complex with maltose and alpha-cyclodextrin
To be Published
2JAG
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BU of 2jag by Molmil
L1-intermediate of halorhodopsin T203V
分子名称: CHLORIDE ION, Halorhodopsin, PALMITIC ACID, ...
著者Gmelin, W, Zeth, K, Efremov, R, Heberle, J, Tittor, J, Oesterhelt, D.
登録日2006-11-28
公開日2006-12-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The crystal structure of the L1 intermediate of halorhodopsin at 1.9 angstroms resolution.
Photochem. Photobiol., 83, 2007
3SQ8
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BU of 3sq8 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase 1 H432R Mutant (SCAN1 Mutant)
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
2NC4
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BU of 2nc4 by Molmil
Solution Structure of N-Galactosylated Pin1 WW Domain
分子名称: Pin1 WW Domain, beta-D-galactopyranose
著者Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
登録日2016-03-20
公開日2016-06-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
1YMG
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BU of 1ymg by Molmil
The Channel Architecture of Aquaporin O at 2.2 Angstrom Resolution
分子名称: Lens fiber major intrinsic protein, nonyl beta-D-glucopyranoside
著者Harries, W.E.C, Akhavan, D, Miercke, L.J.W, Khademi, S, Stroud, R.M.
登録日2005-01-20
公開日2005-02-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The Channel Architecture of Aquaporin 0 at a 2.2-A Resolution
Proc.Natl.Acad.Sci.USA, 101, 2004
3F5U
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BU of 3f5u by Molmil
Crystal structure of the death associated protein kinase in complex with AMPPNP and Mg2+
分子名称: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
登録日2008-11-04
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3F5G
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BU of 3f5g by Molmil
Crystal structure of death associated protein kinase in complex with ADP and Mg2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, MAGNESIUM ION
著者McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
登録日2008-11-03
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
2NPQ
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BU of 2npq by Molmil
A Novel Lipid Binding Site in the p38 alpha MAP Kinase
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Diskin, R, Engelberg, D, Livnah, O.
登録日2006-10-29
公開日2007-10-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel lipid binding site formed by the MAP kinase insert in p38 alpha.
J.Mol.Biol., 375, 2008
3P6P
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BU of 3p6p by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
分子名称: (3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
登録日2010-10-11
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
To be Published
3SQ5
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Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N Mutant
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-04
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
1APM
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BU of 1apm by Molmil
2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT
分子名称: N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE
著者Knighton, D.R, Bell, S.M, Zheng, J, Teneyck, L.F, Xuong, N.-H, Taylor, S.S, Sowadski, J.M.
登録日1993-01-18
公開日1993-04-15
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent.
Acta Crystallogr.,Sect.D, 49, 1993
3T6F
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BU of 3t6f by Molmil
Biotin complex of Y54F core streptavidin
分子名称: BIOTIN, BIOTIN-D-SULFOXIDE, GLYCEROL, ...
著者Baugh, L, Le Trong, I, Cerutti, D.S, Mehta, N, Gulich, S, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
登録日2011-07-28
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
2YNF
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HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560
分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012

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