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2RST
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BU of 2rst by Molmil
NMR structure of the C-terminal domain of EW29
分子名称: 29-kDa galactose-binding lectin
著者Hemmi, H.
登録日2012-05-29
公開日2013-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure and dynamics of the C-terminal domain of R-type lectin from the earthworm Lumbricus terrestris
Febs J., 280, 2013
7SGO
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BU of 7sgo by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form B)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RWG
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BU of 7rwg by Molmil
"Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192
分子名称: (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
2RTV
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BU of 2rtv by Molmil
Tachyplesin I in water
分子名称: Tachyplesin-1
著者Kushibiki, T, Kamiya, M, Aizawa, T, Kumaki, Y, Kikukawa, T, Mizuguchi, M, Demura, M, Kawabata, S.I, Kawano, K.
登録日2013-09-19
公開日2014-02-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Interaction between tachyplesin I, an antimicrobial peptide derived from horseshoe crab, and lipopolysaccharide.
Biochim.Biophys.Acta, 1844, 2014
2R8E
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BU of 2r8e by Molmil
Crystal structure of YrbI from Escherichia coli in complex with Mg
分子名称: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION
著者Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R, Biswas, T.
登録日2007-09-10
公開日2008-09-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
2G0L
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BU of 2g0l by Molmil
Solution Structure of Neocarzinostatin Apo-Protein with bound Flavone
分子名称: 2-PHENYL-4H-CHROMEN-4-ONE, NEOCARZINOSTATIN
著者Muskett, F.W, Stoneman, R.G, Caddick, S, Woolfson, D.N.
登録日2006-02-13
公開日2006-03-28
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Synthetic Ligands for Apo-Neocarzinostatin
J.Am.Chem.Soc., 128, 2006
2G1N
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BU of 2g1n by Molmil
Ketopiperazine-based renin inhibitors: Optimization of the "C" ring
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE, Renin
著者Holsworth, D.D.
登録日2006-02-14
公開日2006-06-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ketopiperazine-based renin inhibitors: Optimization of the "C" ring
BIOORG.MED.CHEM.LETT., 16, 2006
5IDH
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BU of 5idh by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
分子名称: 8-bromooctanoic acid, Lipoate--protein ligase
著者Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
登録日2016-02-24
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
To Be Published
7SGP
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BU of 7sgp by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form C)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
5IDX
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BU of 5idx by Molmil
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis
分子名称: SULFATE ION, Short-chain dehydrogenase/reductase SDR
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-24
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of an oxidoreductase from Burkholderia vietnamiensis
to be published
7DCJ
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BU of 7dcj by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 2-site HSE DNA in the head-to-head orientation
分子名称: DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3'), Heat shock factor protein 1, SODIUM ION
著者Feng, N, Liu, W.
登録日2020-10-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
2G2D
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BU of 2g2d by Molmil
Crystal structure of a putative pduO-type ATP:cobalamin adenosyltransferase from Mycobacterium tuberculosis
分子名称: ATP:cobalamin adenosyltransferase
著者Moon, J.H, Kaviratne, A, Yu, M, Bursey, E.H, Hung, L.-W, Lekin, T.P, Segelke, B.W, Terwilliger, T.C, Kim, C.-Y, TB Structural Genomics Consortium (TBSGC)
登録日2006-02-15
公開日2006-03-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative pduO-type ATP:cobalamin adenosyltransferase from Mycobacterium tuberculosis.
To be Published
7RWH
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BU of 7rwh by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998
分子名称: 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
5I6O
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BU of 5i6o by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 20.70 MGy
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
著者Horrell, S, Hough, M.A, Strange, R.W.
登録日2016-02-16
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
7RW7
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BU of 7rw7 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9
分子名称: (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
2G2N
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BU of 2g2n by Molmil
Crystal Structure of E.coli transthyretin-related protein with bound Zn
分子名称: SULFATE ION, Transthyretin-like protein, ZINC ION
著者Lundberg, E, Backstrom, S, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2006-02-16
公開日2006-12-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The transthyretin-related protein: structural investigation of a novel protein family
J.Struct.Biol., 155, 2006
7DCT
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BU of 7dct by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp)
分子名称: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3'), Heat shock factor protein 1, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
2G4J
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BU of 2g4j by Molmil
Anomalous substructure of Glucose isomerase
分子名称: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
著者Mueller-Dieckmann, C, Weiss, M.S.
登録日2006-02-22
公開日2007-02-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2RTL
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BU of 2rtl by Molmil
STREPTAVIDIN-2-IMINOBIOTIN-SULFATE COMPLEX, PH 2.50, SPACE GROUP I4122
分子名称: 2-IMINOBIOTIN, STREPTAVIDIN, SULFATE ION
著者Katz, B.A.
登録日1997-09-11
公開日1998-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
7RW5
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BU of 7rw5 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1
分子名称: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
2G31
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BU of 2g31 by Molmil
Human Nogo-A functional domain: nogo60
分子名称: Reticulon-4
著者Li, M.F, Liu, J.X, Song, J.X.
登録日2006-02-17
公開日2006-08-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Nogo goes in the pure water: solution structure of Nogo-60 and design of the structured and buffer-soluble Nogo-54 for enhancing CNS regeneration
Protein Sci., 15, 2006
2G3Q
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BU of 2g3q by Molmil
Solution Structure of Ede1 UBA-ubiquitin complex
分子名称: Protein YBL047C, Ubiquitin
著者Swanson, K.A, Hicke, L, Radhakrishnan, I.
登録日2006-02-20
公開日2006-05-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural Basis for Monoubiquitin Recognition by the Ede1 UBA Domain.
J.Mol.Biol., 358, 2006
7SGN
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BU of 7sgn by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form A)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DCU
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BU of 7dcu by Molmil
Crystal structure of HSF2 DNA-binding domain in complex with 3-site HSE DNA (21 bp)
分子名称: DNA (5'-D(*AP*CP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*G)-3'), Heat shock factor protein 2, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
3VWK
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BU of 3vwk by Molmil
Ternary crystal structure of the human NKT TCR-CD1d-4'deoxy-alpha-galactosylceramide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ...
著者Wun, K.S, Rossjohn, J.
登録日2012-08-24
公開日2012-10-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.935 Å)
主引用文献Human and mouse type I natural killer T cell antigen receptors exhibit different fine specificities for CD1d-antigen complex
J.Biol.Chem., 287, 2012

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