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3HBO
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Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-04
公開日2010-05-26
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
1BAW
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BU of 1baw by Molmil
PLASTOCYANIN FROM PHORMIDIUM LAMINOSUM
分子名称: COPPER (II) ION, PLASTOCYANIN, ZINC ION
著者Bond, C.S, Guss, J.M, Freeman, H.C, Wagner, M.J, Howe, C.J, Bendall, D.S.
登録日1998-04-19
公開日1999-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of plastocyanin from the cyanobacterium Phormidium laminosum.
Acta Crystallogr.,Sect.D, 55, 1999
2B4X
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BU of 2b4x by Molmil
Crystal Structure of Antithrombin-III
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III
著者Adams, T.E, Huntington, J.A, Johnson, D.J.D, Bock, S.C.
登録日2005-09-27
公開日2006-10-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Antithrombin-III
To be Published
1G8V
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BU of 1g8v by Molmil
MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG):5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3'
著者Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2000-11-21
公開日2001-02-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers?
Acta Crystallogr.,Sect.D, 57, 2001
2AIK
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BU of 2aik by Molmil
Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide LCTPSRA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Roeser, D, Rudolph, M.G.
登録日2005-07-29
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
3RR3
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BU of 3rr3 by Molmil
Structure of (R)-flurbiprofen bound to mCOX-2
分子名称: (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J.
登録日2011-04-28
公開日2011-11-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
2AIJ
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Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide CTPSR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Roeser, D, Rudolph, M.G.
登録日2005-07-29
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
1Q47
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BU of 1q47 by Molmil
Structure of the Semaphorin 3A Receptor-Binding Module
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Semaphorin 3A
著者Antipenko, A, Himanen, J.-P, van Leyen, K, Nardi-Dei, V, Lesniak, J, Barton, W.A, Rajashankar, K.R, Lu, M, Hoemme, C, Puschel, A, Nikolov, D.
登録日2003-08-01
公開日2004-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the semaphorin-3A receptor binding module.
Neuron, 39, 2003
336D
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BU of 336d by Molmil
INTERACTION BETWEEN LEFT-HANDED Z-DNA AND POLYAMINE-3 THE CRYSTAL STRUCTURE OF THE D(CG)3 AND THERMOSPERMINE COMPLEX
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE
著者Ohishi, H, Terasoma, N, Nakanishi, I, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.-I.
登録日1997-06-24
公開日1998-04-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Interaction between left-handed Z-DNA and polyamine - 3. The crystal structure of the d(CG)3 and thermospermine complex.
FEBS Lett., 398, 1996
3AIS
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BU of 3ais by Molmil
Crystal structure of a mutant beta-glucosidase in wheat complexed with DIMBOA-Glc
分子名称: (2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, Beta-glucosidase, beta-D-glucopyranose
著者Sue, M, Nakamura, C, Miyamoto, T, Yajima, S.
登録日2010-05-18
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae
Plant Sci., 180, 2011
4KC2
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Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
分子名称: 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase soluble form, MANGANESE (II) ION, ...
著者Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M.
登録日2013-04-24
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
4CPE
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Wild-type streptavidin in complex with love-hate ligand 1 (LH1)
分子名称: (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide, STREPTAVIDIN
著者Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M.
登録日2014-02-06
公開日2014-08-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
4BHV
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BU of 4bhv by Molmil
Measles virus phosphoprotein tetramerization domain
分子名称: ACETATE ION, CALCIUM ION, PHOSPHOPROTEIN
著者Blocquel, D, Habchi, J, Durand, E, Sevajol, M, Ferron, F, Papageorgiou, N, Longhi, S.
登録日2013-04-08
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Coiled-Coil Deformations in Crystal Structures: The Measles Virus Phosphoprotein Multimerization Domain as an Illustrative Example.
Acta Crystallogr.,Sect.D, 70, 2014
1MCQ
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PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
分子名称: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-HIS-D-PRO-NH2
著者Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
登録日1993-02-25
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
1DTH
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BU of 1dth by Molmil
METALLOPROTEASE
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ATROLYSIN C, CALCIUM ION, ...
著者Botos, I, Scapozza, L, Zhang, D, Liotta, L.A, Meyer, E.F.
登録日1996-02-12
公開日1997-02-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Batimastat, a potent matrix mealloproteinase inhibitor, exhibits an unexpected mode of binding.
Proc.Natl.Acad.Sci.USA, 93, 1996
1MK6
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BU of 1mk6 by Molmil
SOLUTION STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT MISPAIRED WITH DEOXYADENOSINE
分子名称: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*AP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
著者Giri, I, Johnston, D.S, Stone, M.P.
登録日2002-08-28
公開日2002-10-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献MISPAIRING OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT WITH DEOXYADENOSINE RESULTS IN EXTRUSION OF THE MISMATCHED DA TOWARD THE MAJOR GROOVE
Biochemistry, 41, 2002
5RV5
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BU of 5rv5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948
分子名称: BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
3UKI
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BU of 3uki by Molmil
Crystal structure of reduced OxyR from Porphyromonas gingivalis
分子名称: OxyR
著者Svintradze, D.V, Wright, H.T, Collazo-Santiago, E.A, Lewis, J.P.
登録日2011-11-09
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.15 Å)
主引用文献Structures of the Porphyromonas gingivalis OxyR regulatory domain explain differences in expression of the OxyR regulon in Escherichia coli and P. gingivalis.
Acta Crystallogr.,Sect.D, 69, 2013
1XCX
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Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose, Alpha-amylase, ...
著者Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D.
登録日2004-09-03
公開日2004-12-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
2PII
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PII, GLNB PRODUCT
分子名称: PII
著者Carr, P.D, Cheah, E, Suffolk, P.M, Ollis, D.L.
登録日1995-05-02
公開日1996-06-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray structure of the signal transduction protein from Escherichia coli at 1.9 A.
Acta Crystallogr.,Sect.D, 52, 1996
3D5O
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Structural recognition and functional activation of FcrR by innate pentraxins
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low affinity immunoglobulin gamma Fc region receptor II-a, ...
著者Lu, J, Marnell, L.L, Marjon, K.D, Mold, C, Du Clos, T.W, Sun, P.D.
登録日2008-05-16
公開日2008-11-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural recognition and functional activation of FcgammaR by innate pentraxins.
Nature, 456, 2008
2QKH
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Crystal structure of the extracellular domain of human GIP receptor in complex with the hormone GIP
分子名称: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, D(-)-TARTARIC ACID, Glucose-dependent insulinotropic polypeptide, ...
著者Parthier, C, Kleinschmidt, M, Neumann, P, Rudolph, R, Manhart, S, Schlenzig, D, Fanghanel, J, Rahfeld, J.-U, Demuth, H.-U, Stubbs, M.T.
登録日2007-07-11
公開日2007-08-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the incretin-bound extracellular domain of a G protein-coupled receptor
Proc.Natl.Acad.Sci.Usa, 104, 2007
5RSG
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672
分子名称: N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSH
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208
分子名称: 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVD
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802
分子名称: 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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