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7FBP
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FXIIa-cMCoFx1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1
著者Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K.
登録日2021-07-12
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
1C3C
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T. MARITIMA ADENYLOSUCCINATE LYASE
分子名称: PROTEIN (ADENYLOSUCCINATE LYASE)
著者Toth, E.A, Yeates, T.O.
登録日1999-07-27
公開日2000-02-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of adenylosuccinate lyase, an enzyme with dual activity in the de novo purine biosynthetic pathway.
Structure Fold.Des., 8, 2000
3R5R
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BU of 3r5r by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
5YCC
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Crystal structure of Notothenia coriiceps adenylate kinase variant
分子名称: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, adenylate kinase
著者Bae, E, Kim, J, Moon, S.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Notothenia coriiceps adenylate kinase variant
To Be Published
5YD2
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BU of 5yd2 by Molmil
Crystal Structure of Delta 4 mutant of EhPSAT (Phosphoserine aminotransferase of Entamoeba histolytica)
分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
著者Singh, R.K, Gourinath, S.
登録日2017-09-10
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献N-terminal residues are crucial for quaternary structure and active site conformation for the phosphoserine aminotransferase from enteric human parasite E. histolytica.
Int.J.Biol.Macromol., 132, 2019
1EXH
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BU of 1exh by Molmil
SOLUTION STRUCTURE OF A CELLULOSE BINDING DOMAIN FROM CELLULOMONAS FIMI BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
分子名称: EXO-1,4-BETA-D-GLYCANASE
著者Xu, G.-Y, Ong, E, Gilkes, N.R, Kilburn, D.G, Muhandiram, D.R, Harris-Brandts, M, Carver, J.P, Kay, L.E, Harvey, T.S.
登録日1995-03-14
公開日1995-06-03
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of a cellulose-binding domain from Cellulomonas fimi by nuclear magnetic resonance spectroscopy.
Biochemistry, 34, 1995
3FE4
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Crystal Structure of Human Carbonic Anhydrase vi
分子名称: Carbonic anhydrase 6, GLYCEROL, MAGNESIUM ION
著者Pilka, E.S, Kochan, G, Krysztofinska, E, Muniz, J, Yue, W.W, Roos, A.K, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-11-27
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the secretory isozyme of mammalian carbonic anhydrases CA VI: implications for biological assembly and inhibitor development
Biochem.Biophys.Res.Commun., 419, 2012
5OU9
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Crystal structure of Glycoprotein VI in complex with collagen-peptide (GPO)3
分子名称: (GPO)3, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Feitsma, L.J, Huizinga, E.G.
登録日2017-08-23
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into collagen-binding by platelet receptor Glycoprotein VI
To be Published
5F5Z
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Crystal structure of the first bromodomain of human BRD4 in complex with MA2-014
分子名称: 1,2-ETHANEDIOL, 2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Schonbrunn, E.
登録日2015-12-04
公開日2017-04-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017
3FF9
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Structure of NK cell receptor KLRG1
分子名称: Killer cell lectin-like receptor subfamily G member 1
著者Li, Y, Mariuzza, R.A.
登録日2008-12-02
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition.
Immunity, 31, 2009
5F6M
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BU of 5f6m by Molmil
Isotropic Trypsin Model for Comparison of Diffuse Scattering
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Van Benschoten, A.H, Wall, M.E, Fraser, J.S.
登録日2015-12-06
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
5Y6D
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BU of 5y6d by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11)
分子名称: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
1OBN
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BU of 1obn by Molmil
ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX
分子名称: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ...
著者Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J.
登録日2003-01-31
公開日2004-02-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate.
Biochem.J., 372, 2003
7KU4
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DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
分子名称: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, W.D.
登録日2020-11-24
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
5F60
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BU of 5f60 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SG3-014
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ...
著者Ember, S.W, Zhu, J.-Y, Schonbrunn, E.
登録日2015-12-04
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017
3M67
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BU of 3m67 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-15
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
2XPG
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BU of 2xpg by Molmil
Crystal structure of a MHC class I-peptide complex
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-3 ALPHA CHAIN, ...
著者McMahon, R.M, Friis, L, Siebold, C, Friese, M.A, Fugger, L, Jones, E.Y.
登録日2010-08-26
公開日2011-04-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Hla-A0301 in Complex with a Peptide of Proteolipid Protein: Insights Into the Role of Hla-A Alleles in Susceptibility to Multiple Sclerosis
Acta Crystallogr.,Sect.D, 67, 2011
1O7N
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NAPHTHALENE 1,2-DIOXYGENASE, TERNARY COMPLEX WITH DIOXYGEN AND INDOLE
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Karlsson, A, Parales, J.V, Parales, R.E, Gibson, D.T, Eklund, H, Ramaswamy, S.
登録日2002-11-11
公開日2003-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Naphthalene Dioxygenase: Side-on Binding of Dioxygen to Iron
Science, 299, 2003
5YAL
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Ferulic acid esterase from Streptomyces cinnamoneus at 1.5 A resolution
分子名称: ACETATE ION, Esterase, GLYCEROL, ...
著者Tamura, H, Uraji, M, Mizohata, E, Ogawa, K, Inoue, T, Hatanaka, T.
登録日2017-09-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Loop of Streptomyces Feruloyl Esterase Plays an Important Role in the Enzyme's Catalyzing the Release of Ferulic Acid from Biomass.
Appl. Environ. Microbiol., 84, 2018
1E8A
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BU of 1e8a by Molmil
The three-dimensional structure of human S100A12
分子名称: CALCIUM ION, S100A12
著者Moroz, O.V, Antson, A.A, Murshudov, G.N, Maitland, N.J, Dodson, G.G, Wilson, K.S, Skibshoj, I, Lukanidin, E.M, Bronstein, I.B.
登録日2000-09-18
公開日2001-01-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Three-Dimensional Structure of Human S100A12
Acta Crystallogr.,Sect.D, 57, 2001
1O7H
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NAPHTHALENE 1,2-DIOXYGENASE WITH OXIDIZED RIESKE IRON SULPHUR CENTER SITE.
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Karlsson, A, Parales, J.V, Parales, R.E, Gibson, D.T, Eklund, H, Ramaswamy, S.
登録日2002-11-05
公開日2003-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Naphthalene Dioxygenase: Side-on Binding of Dioxygen to Iron
Science, 299, 2003
5EYW
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Crystal structure of Litopenaeus vannamei triosephosphate isomerase complexed with 2-Phosphoglycolic acid
分子名称: 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase
著者Carrasco-Miranda, J.S, Lopez-Zavala, A.A, Brieba, L.G, Rudino-Pinera, E, Sotelo-Mundo, R.R.
登録日2015-11-25
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights from a novel invertebrate triosephosphate isomerase from Litopenaeus vannamei.
Biochim.Biophys.Acta, 1864, 2016
1O7M
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NAPHTHALENE 1,2-DIOXYGENASE, BINARY COMPLEX WITH DIOXYGEN
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Karlsson, A, Parales, J.V, Parales, R.E, Gibson, D.T, Eklund, H, Ramaswamy, S.
登録日2002-11-11
公開日2003-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Naphthalene Dioxygenase: Side-on Binding of Dioxygen to Iron
Science, 299, 2003
1BVX
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THE 1.8 A STRUCTURE OF GEL GROWN TETRAGONAL HEN EGG WHITE LYSOZYME
分子名称: PROTEIN (LYSOZYME)
著者Dong, J, Boggon, T.J, Chayen, N.E, Raftery, J, Bi, R.C, Helliwell, J.R.
登録日1998-09-18
公開日1998-09-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bound-solvent structures for microgravity-, ground control-, gel- and microbatch-grown hen egg-white lysozyme crystals at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
7KWK
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DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
分子名称: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, D.W.
登録日2020-12-01
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022

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