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8BG3
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BU of 8bg3 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1610 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1610 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG5
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BU of 8bg5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1631 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1631 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG6
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BU of 8bg6 by Molmil
SARS-CoV-2 S protein in complex with pT1644 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pT1644 Fab heavy chain, ...
著者Stroeh, L, Hansen, G, Vollmer, B, Krey, T, Benecke, T, Gruenewald, K.
登録日2022-10-27
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (4.11 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG4
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BU of 8bg4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1611 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1611 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BG8
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BU of 8bg8 by Molmil
SARS-CoV-2 S protein in complex with pT1696 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pT1696 Fab heavy chain, ...
著者Hansen, G, Benecke, T, Vollmer, B, Gruenewald, K, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
4OO8
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BU of 4oo8 by Molmil
Crystal structure of Streptococcus pyogenes Cas9 in complex with guide RNA and target DNA
分子名称: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*CP*CP*AP*GP*CP*CP*AP*AP*GP*CP*GP*CP*AP*CP*CP*TP*AP*AP*TP*TP*TP*CP*C)-3'), RNA (97-MER)
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2014-01-31
公開日2014-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Cas9 in complex with guide RNA and target DNA
Cell(Cambridge,Mass.), 156, 2014
1R8Y
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BU of 1r8y by Molmil
Crystal Structure of Mouse Glycine N-Methyltransferase (Monoclinic Form)
分子名称: BETA-MERCAPTOETHANOL, glycine N-methyltransferase
著者Pakhomova, S, Luka, Z, Wagner, C, Newcomer, M.E.
登録日2003-10-28
公開日2004-09-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Glycine N-methyltransferases: a comparison of the crystal structures and kinetic properties of recombinant human, mouse and rat enzymes.
Proteins, 57, 2004
1IEZ
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BU of 1iez by Molmil
Solution Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase of Riboflavin Biosynthesis
分子名称: 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase
著者Kelly, M.J.S, Ball, L.J, Kuhne, R, Bacher, A, Oschkinat, H.
登録日2001-04-11
公開日2001-11-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site.
Proc.Natl.Acad.Sci.USA, 98, 2001
4Q2K
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BU of 4q2k by Molmil
Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b
分子名称: (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide, Chymotrypsinogen A
著者Chan, H.Y, Bruning, J.B, Abell, A.D.
登録日2014-04-09
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Macrocyclic protease inhibitors with reduced peptide character.
Angew.Chem.Int.Ed.Engl., 53, 2014
4PXH
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BU of 4pxh by Molmil
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain
分子名称: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, Peptide synthetase, ...
著者Haslinger, K, Cryle, M.J.
登録日2014-03-24
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of a transient complex of a nonribosomal Peptide synthetase and a cytochrome p450 monooxygenase.
Angew.Chem.Int.Ed.Engl., 53, 2014
4PWV
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BU of 4pwv by Molmil
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain
分子名称: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, Peptide synthetase, ...
著者Haslinger, K, Cryle, M.J.
登録日2014-03-21
公開日2014-07-23
最終更新日2014-08-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of a transient complex of a nonribosomal Peptide synthetase and a cytochrome p450 monooxygenase.
Angew.Chem.Int.Ed.Engl., 53, 2014
3JW6
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BU of 3jw6 by Molmil
Crystal structure of AcMNPV baculovirus polyhedra
分子名称: 1,2-ETHANEDIOL, Polyhedrin
著者Coulibaly, F, Chiu, E, Metcalf, P.
登録日2009-09-17
公開日2009-12-08
最終更新日2018-07-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The atomic structure of baculovirus polyhedra reveals the independent emergence of infectious crystals in DNA and RNA viruses
Proc.Natl.Acad.Sci.USA, 106, 2009
1PVD
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BU of 1pvd by Molmil
CRYSTAL STRUCTURE OF THE THIAMIN DIPHOSPHATE DEPENDENT ENZYME PYRUVATE DECARBOXYLASE FROM THE YEAST SACCHAROMYCES CEREVISIAE AT 2.3 ANGSTROMS RESOLUTION
分子名称: MAGNESIUM ION, PYRUVATE DECARBOXYLASE, THIAMINE DIPHOSPHATE
著者Furey, W, Arjunan, P.
登録日1995-04-20
公開日1995-07-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the thiamin diphosphate-dependent enzyme pyruvate decarboxylase from the yeast Saccharomyces cerevisiae at 2.3 A resolution.
J.Mol.Biol., 256, 1996
1PPF
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BU of 1ppf by Molmil
X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN LEUKOCYTE ELASTASE (PMN ELASTASE) AND THE THIRD DOMAIN OF THE TURKEY OVOMUCOID INHIBITOR
分子名称: HUMAN LEUKOCYTE ELASTASE, TURKEY OVOMUCOID INHIBITOR (OMTKY3), alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bode, W, Wei, A-Z.
登録日1991-10-24
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor.
EMBO J., 5, 1986
7TZ7
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BU of 7tz7 by Molmil
PI3K alpha in complex with an inhibitor
分子名称: (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Tang, J.
登録日2022-02-15
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
6NZM
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BU of 6nzm by Molmil
Brutons tyrosine kinase in complex with compound 50.
分子名称: 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK
著者Marcotte, D.J.
登録日2019-02-14
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.
Bioorg.Med.Chem., 27, 2019
1R8X
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BU of 1r8x by Molmil
Crystal Structure of Mouse Glycine N-Methyltransferase (Tetragonal Form)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, glycine N-methyltransferase
著者Pakhomova, S, Luka, Z, Wagner, C, Newcomer, M.E.
登録日2003-10-28
公開日2004-09-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Glycine N-methyltransferases: a comparison of the crystal structures and kinetic properties of recombinant human, mouse and rat enzymes.
Proteins, 57, 2004
6O0A
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BU of 6o0a by Molmil
Crystal structure of flavohemoglobin from Malassezia yamatoensis with bound FAD and heme determined by iron SAD phasing
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-15
公開日2019-03-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HGT in the human and skin commensal Malassezia : A bacterially derived flavohemoglobin is required for NO resistance and host interaction.
Proc.Natl.Acad.Sci.USA, 117, 2020
1R74
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BU of 1r74 by Molmil
Crystal Structure of Human Glycine N-Methyltransferase
分子名称: BETA-MERCAPTOETHANOL, CITRIC ACID, Glycine N-methyltransferase
著者Pakhomova, S, Luka, Z, Wagner, C, Newcomer, M.E.
登録日2003-10-17
公開日2004-09-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Glycine N-methyltransferases: a comparison of the crystal structures and kinetic properties of recombinant human, mouse and rat enzymes.
Proteins, 57, 2004
1KIU
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BU of 1kiu by Molmil
FimH adhesin Q133N mutant-FimC chaperone complex with methyl-alpha-D-mannose
分子名称: CHAPERONE PROTEIN FimC, FimH PROTEIN, methyl alpha-D-mannopyranoside
著者Hung, C.S, Bouckaert, J.
登録日2001-12-03
公開日2002-06-05
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection.
Mol.Microbiol., 44, 2002
3OB4
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BU of 3ob4 by Molmil
MBP-fusion protein of the major peanut allergen Ara h 2
分子名称: CHLORIDE ION, Maltose ABC transporter periplasmic protein,Arah 2, SULFATE ION, ...
著者Mueller, G.A, Gosavi, R.A, Moon, A.F, London, R.E, Pedersen, L.C.
登録日2010-08-06
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献Ara h 2: crystal structure and IgE binding distinguish two subpopulations of peanut allergic patients by epitope diversity.
Allergy, 66, 2011
1NLR
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ENDO-1,4-BETA-GLUCANASE CELB2, CELLULASE, NATIVE STRUCTURE
分子名称: ENDO-1,4-BETA-GLUCANASE
著者Sulzenbacher, G, Dupont, C, Davies, G.J.
登録日1997-10-27
公開日1998-11-25
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Streptomyces lividans family 12 endoglucanase: construction of the catalytic cre, expression, and X-ray structure at 1.75 A resolution.
Biochemistry, 36, 1997
1KLF
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BU of 1klf by Molmil
FIMH ADHESIN-FIMC CHAPERONE COMPLEX WITH D-MANNOSE
分子名称: CHAPERONE PROTEIN FIMC, FIMH PROTEIN, alpha-D-mannopyranose
著者Hung, C.S, Bouckaert, J.
登録日2001-12-11
公開日2002-06-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection.
Mol.Microbiol., 44, 2002
1C50
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IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B
分子名称: 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE
著者Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N.
登録日1999-12-15
公開日1999-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A new allosteric site in glycogen phosphorylase b as a target for drug interactions.
Structure Fold.Des., 8, 2000
1C8K
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FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE
分子名称: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE
著者Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N.
登録日2000-05-11
公開日2000-05-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000

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