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6SEX
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BU of 6sex by Molmil
X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Ferraro, G, Giorgio, A, Merlino, A.
登録日2019-07-30
公開日2019-09-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
1LBF
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BU of 1lbf by Molmil
CRYSTAL STRUCTURE OF INDOLE-3-GLYCEROL PHOSPHATE SYNTASE (IGPS)WITH REDUCED 1-(O-CABOXYPHENYLAMINO)-1-DEOXYRIBULOSE 5-PHOSPHATE (RCDRP)
分子名称: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
著者Hennig, M, Darimont, B, Kirschner, K, Jansonius, J.N.
登録日2002-04-03
公開日2002-06-12
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The catalytic mechanism of indole-3-glycerol phosphate synthase: crystal structures of complexes of the enzyme from Sulfolobus solfataricus with substrate analogue, substrate, and product.
J.Mol.Biol., 319, 2002
6LL1
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BU of 6ll1 by Molmil
Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H.
登録日2019-12-21
公開日2021-01-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase
To Be Published
6SVP
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BU of 6svp by Molmil
Crystal structure of human GFAT-1 in complex with Glucose-6-Phosphate, L-Glu, and UDP-GlcNAc
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1, ...
著者Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S.
登録日2019-09-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.531 Å)
主引用文献Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis.
Nat Commun, 11, 2020
4Y6S
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BU of 4y6s by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2015-02-13
公開日2015-04-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
1NU2
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BU of 1nu2 by Molmil
Crystal structure of the murine Disabled-1 (Dab1) PTB domain-ApoER2 peptide-PI-4,5P2 ternary complex
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Disabled homolog 1, peptide derived from murine Apolipoprotein E Receptor-2
著者Stolt, P.C, Jeon, H, Song, H.K, Herz, J, Eck, M.J, Blacklow, S.C.
登録日2003-01-30
公開日2003-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Origins of Peptide Selectivity and Phosphoinositide Binding Revealed by Structures of Disabled-1 PTB Domain Complexes
Structure, 11, 2003
1O0R
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BU of 1o0r by Molmil
Crystal structure of the catalytic domain of bovine beta1,4-galactosyltransferase complex with UDP-galactose
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ...
著者Ramakrishnan, B, Balaji, P.V, Qasba, P.K.
登録日2003-02-24
公開日2003-03-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CRYSTAL STRUCTURE OF BETA 1,4-GALACTOSYLTRANSFERASE COMPLEX WITH UDP-GAL REVEALS AN OLIGOSACCHARIDE ACCEPTOR BINDING SITE
J.Mol.Biol., 318, 2002
5EHO
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BU of 5eho by Molmil
Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
分子名称: DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
著者Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S.
登録日2015-10-28
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
To Be Published
5I8C
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BU of 5i8c by Molmil
Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
分子名称: HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
著者Xu, K, Zhou, T, Liu, K, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
6SVO
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BU of 6svo by Molmil
Crystal structure of human GFAT-1 in complex with Glucosamine-6-Phosphate and L-Glu
分子名称: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
著者Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S.
登録日2019-09-18
公開日2020-01-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis.
Nat Commun, 11, 2020
6Q9P
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BU of 6q9p by Molmil
Crystal structure of human Arginase-1 at pH 9.0 in complex with ABH
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ...
著者Grobben, Y, Uitdehaag, J.C.M, Zaman, G.J.R.
登録日2018-12-18
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
5B5J
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BU of 5b5j by Molmil
Hen egg white lysozyme with boron tracedrug UTX-97
分子名称: 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide, Lysozyme C, SODIUM ION
著者Morimoto, Y.
登録日2016-05-11
公開日2017-06-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structural Insight Into Protein Binding of Boron Tracedrug UTX-97 Revealed by the Co-Crystal Structure With Lysozyme at 1.26 angstrom Resolution.
J Pharm Sci, 105, 2016
4QJ2
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BU of 4qj2 by Molmil
Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with WT p1-p6 substrate
分子名称: GLYCEROL, PHOSPHATE ION, Protease, ...
著者Lin, K.H, Schiffer, C.A.
登録日2014-06-03
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Proc.Natl.Acad.Sci.USA, 111, 2014
6QHJ
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BU of 6qhj by Molmil
High-resolution crystal structure of calcium- and sodium-bound mouse Olfactomedin-1 beta-propeller domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Pronker, M.F, van den Hoek, H.G, Janssen, B.J.C.
登録日2019-01-16
公開日2019-09-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design and structural characterisation of olfactomedin-1 variants as tools for functional studies.
BMC Mol Cell Biol, 20, 2019
7TZC
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BU of 7tzc by Molmil
A drug and ATP binding site in type 1 ryanodine receptor
分子名称: (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Melville, Z, Dridi, H, Yuan, Q, Reiken, S, Anetta, W, Liu, Y, Clarke, O.B, Marks, A.R.
登録日2022-02-15
公開日2022-05-18
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献A drug and ATP binding site in type 1 ryanodine receptor.
Structure, 30, 2022
7BP5
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BU of 7bp5 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASN-ASP-PRO-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
4OPW
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BU of 4opw by Molmil
Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2014-02-06
公開日2014-04-02
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution
To be published
1LBL
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BU of 1lbl by Molmil
Crystal structure of indole-3-glycerol phosphate synthase (IGPS) in complex with 1-(o-carboxyphenylamino)-1-deoxyribulose 5'-phosphate (CdRP)
分子名称: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, indole-3-glycerol phosphate synthase
著者Hennig, M, Darimont, B.D, Kirschner, K, Jansonius, J.N.
登録日2002-04-04
公開日2002-09-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The catalytic mechanism of indole-3-glycerol phosphate synthase: Crystal structures of complexes of the enzyme from Sulfolobus solfataricus with the substrate analogue, substrate, and product
J.Mol.Biol., 319, 2002
1LB3
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BU of 1lb3 by Molmil
Structure of recombinant mouse L chain ferritin at 1.2 A resolution
分子名称: CADMIUM ION, FERRITIN LIGHT CHAIN 1, GLYCEROL, ...
著者Granier, T, Langlois D'Estaintot, B, Gallois, B, Chevalier, J.-M, Precigoux, G, Santambrogio, P, Arosio, P.
登録日2002-04-02
公開日2003-01-28
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural description of the active sites of mouse L-chain ferritin at 1.2A resolution
J.Biol.Inorg.Chem., 8, 2003
4QJ9
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BU of 4qj9 by Molmil
Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant (R452S)
分子名称: GLYCEROL, PHOSPHATE ION, Protease, ...
著者Lin, K.H, Schiffer, C.A.
登録日2014-06-03
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Proc.Natl.Acad.Sci.USA, 111, 2014
6TJ8
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BU of 6tj8 by Molmil
Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine diphosphate
分子名称: 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, ...
著者Rabe von Pappenheim, F, Tittmann, K.
登録日2019-11-25
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.921 Å)
主引用文献Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine.
Nat.Chem.Biol., 16, 2020
4QQ5
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BU of 4qq5 by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex With FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide
著者Huang, Z, Mohammadi, M.
登録日2014-06-26
公開日2014-10-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
5GIR
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BU of 5gir by Molmil
Crystal structure of a Fab fragment with its ligand peptide
分子名称: 1,2-ETHANEDIOL, Heavy chain of Fab fragment, LYS-PRO-ILE-ILE-ILE-GLY-SER-HIS-ALA-TYR-GLY-ASP, ...
著者Kitago, Y, Kaneko, K.K, Ogasawara, S, Kato, Y, Takagi, J.
登録日2016-06-24
公開日2016-09-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural basis for multi-specific peptide recognition by the anti-IDH1/2 monoclonal antibody, MsMab-1.
Biochem. Biophys. Res. Commun., 478, 2016
9K6G
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BU of 9k6g by Molmil
Structure of human LINE-1 ORF2p with endogenous dsDNA and RNA/cDNA hybrid
分子名称: Complementary DNA, Genomic DNA (bottom strand), Genomic DNA (top strand), ...
著者Jin, W, Yu, C, Xu, R.M.
登録日2024-10-22
公開日2025-10-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanism of DNA targeting by human LINE-1.
Science, 390, 2025
9K6I
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BU of 9k6i by Molmil
Structure of full-length human LINE-1 ORF2p with endogenous DNA and RNA/cDNA hybrid
分子名称: Complementary DNA, Genomic DNA (bottom strand), Genomic DNA (top strand), ...
著者Jin, W, Yu, C, Xu, R.M.
登録日2024-10-22
公開日2025-10-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Mechanism of DNA targeting by human LINE-1.
Science, 390, 2025

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件を2025-10-22に公開中

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