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6EVC
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BU of 6evc by Molmil
Structure of E282Q A. niger Fdc1 in complex with pentafluoro-cinnamic acid
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
2WWY
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BU of 2wwy by Molmil
Structure of human RECQ-like helicase in complex with a DNA substrate
分子名称: 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ...
著者Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O.
登録日2009-10-30
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures
Proc.Natl.Acad.Sci.USA, 112, 2015
6C1O
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BU of 6c1o by Molmil
FGFR1 kinase domain complexed with FIIN-1
分子名称: Fibroblast growth factor receptor 1, N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide, SULFATE ION
著者Kalyukina, M, Yosaatmadja, Y, Smaill, J.B, Squire, C.J.
登録日2018-01-05
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A new class of FGFR1 inhibitors
To Be Published
1COT
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BU of 1cot by Molmil
X-RAY STRUCTURE OF THE CYTOCHROME C2 ISOLATED FROM PARACOCCUS DENITRIFICANS REFINED TO 1.7 ANGSTROMS RESOLUTION
分子名称: CYTOCHROME C2, HEME C
著者Benning, M.M, Meyer, T.E, Holden, H.M.
登録日1994-07-06
公開日1994-09-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-Ray structure of the cytochrome c2 isolated from Paracoccus denitrificans refined to 1.7-A resolution.
Arch.Biochem.Biophys., 310, 1994
6BHU
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BU of 6bhu by Molmil
Cryo-EM structure of ATP-bound, outward-facing bovine multidrug resistance protein 1 (MRP1)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ...
著者Johnson, Z.L, Chen, J.
登録日2017-10-31
公開日2017-12-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献ATP Binding Enables Substrate Release from Multidrug Resistance Protein 1.
Cell, 172, 2018
4LCT
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BU of 4lct by Molmil
Crystal Structure and Versatile Functional Roles of the COP9 Signalosome Subunit 1
分子名称: COP9 signalosome complex subunit 1, SULFATE ION
著者Lee, J.-H, Yi, L, Li, J, Schweitzer, K, Borgmann, M, Naumann, M, Wu, H.
登録日2013-06-23
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and versatile functional roles of the COP9 signalosome subunit 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
5AE9
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BU of 5ae9 by Molmil
Crystal structure of mouse PI3 kinase delta in complex with GSK2292767
分子名称: N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N.
登録日2015-08-26
公開日2015-09-16
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
7D8U
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BU of 7d8u by Molmil
Crystal structure of the C-terminal domain of pNP868R from African swine fever virus
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, GTP--RNA guanylyltransferase, ...
著者Du, X, Geng, Z, Zhang, H.
登録日2020-10-10
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Biochemical Characteristic of the Methyltransferase (MTase) Domain of RNA Capping Enzyme from African Swine Fever Virus.
J.Virol., 2020
2V4N
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BU of 2v4n by Molmil
Crystal structure of Salmonella typhimurium SurE at 1.7 angstrom resolution in orthorhombic form
分子名称: GLYCEROL, MAGNESIUM ION, MULTIFUNCTIONAL PROTEIN SUR E, ...
著者Anju, P, Savithri, H.S, Murthy, M.R.N.
登録日2008-09-26
公開日2008-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Studies on a Mesophilic Stationary Phase Survival Protein (Sur E) from Salmonella Typhimurium
FEBS J., 275, 2008
1L4F
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BU of 1l4f by Molmil
The crystal structure of CobT complexed with 4,5-dimethyl-1,2-phenylenediamine and nicotinate mononucleotide
分子名称: 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
著者Cheong, C.-G, Escalante-Semerena, J, Rayment, I.
登録日2002-03-06
公開日2002-09-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
2VBG
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BU of 2vbg by Molmil
The complex structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis with 2R-1-hydroxyethyl-deazaThDP
分子名称: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION
著者Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G.
登録日2007-09-12
公開日2007-11-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
5SNU
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BU of 5snu by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770
分子名称: 1-(3-chlorophenyl)-N-methylmethanamine, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
7B6V
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BU of 7b6v by Molmil
Sheep Polyomavirus VP1 in complex with 5 mM Forssman antigen pentaose and 20 mM 3'-sialyllactosamine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
著者Rustmeier, N.H, Stehle, T.
登録日2020-12-08
公開日2022-09-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献A novel and highly specific Forssman antigen-binding protein from sheep polyomavirus
Biorxiv, 2023
1L8P
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BU of 1l8p by Molmil
Mg-phosphonoacetohydroxamate complex of S39A yeast enolase 1
分子名称: MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID, enolase 1
著者Poyner, R.R, Larsen, T.M, Wong, S.W, Reed, G.H.
登録日2002-03-21
公開日2002-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional and structural changes due to a serine to alanine mutation in the active-site flap of enolase.
Arch.Biochem.Biophys., 401, 2002
3PXR
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BU of 3pxr by Molmil
Apo CDK2 crystallized from Jeffamine
分子名称: 1,2-ETHANEDIOL, Cell division protein kinase 2
著者Betzi, S, Alam, R, Schonbrunn, E.
登録日2010-12-10
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
4AUD
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BU of 4aud by Molmil
Crystal structure of alternaria alternata major allergen alt a 1
分子名称: MAJOR ALLERGEN ALT A 1 SUBUNIT, SULFATE ION
著者Mechaly, A.E, Ibanez de Opakua, A, Asturias, J, Viguera, A.R.
登録日2012-05-16
公開日2013-05-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal Structure of Major Allergen of Alternaria Alternata Alt a 1
To be Published
4L8O
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BU of 4l8o by Molmil
Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from Clostridium hylemonae DSM 15053 at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, Bile acid 7a-dehydratase, BaiE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-06-17
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from Clostridium hylemonae DSM 15053 at 2.20 A resolution
To be published
5DNC
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BU of 5dnc by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T19A
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
著者Schalk, A.M, Lavie, A.
登録日2015-09-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
5E9Z
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BU of 5e9z by Molmil
Cytochrome P450 BM3 mutant M11
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ...
著者Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P.
登録日2015-10-15
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
Proteins, 84, 2016
3IDM
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BU of 3idm by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 Fab' fragment in complex with gp41 Peptide analog ELD(Nrg)WAS
分子名称: 2F5 Fab heavy chain, 2F5 Fab light chain, gp41 MPER peptide analog
著者Julien, J.-P, Bryson, S, Pai, E.F.
登録日2009-07-21
公開日2010-02-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
4AU7
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BU of 4au7 by Molmil
The structure of the Suv4-20h2 ternary complex with histone H4
分子名称: 1,2-ETHANEDIOL, HISTONE H4 PEPTIDE, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H2, ...
著者Southall, S.M, Cronin, N.B, Wilson, J.R.
登録日2012-05-14
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases.
Nucleic Acids Res., 42, 2014
2V8C
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BU of 2v8c by Molmil
Mouse Profilin IIa in complex with the proline-rich domain of VASP
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ...
著者Kursula, P, Downer, J, Witke, W, Wilmanns, M.
登録日2007-08-06
公開日2007-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
J.Mol.Biol., 375, 2008
4LC8
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BU of 4lc8 by Molmil
Crystal structure of the mutant H128N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
分子名称: 1,2-ETHANEDIOL, 6-HYDROXYURIDINE-5'-PHOSPHATE, CHLORIDE ION, ...
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2013-06-21
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.318 Å)
主引用文献Crystal structure of the mutant H128N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
To be Published
6BOZ
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BU of 6boz by Molmil
Structure of human SETD8 in complex with covalent inhibitor MS4138
分子名称: 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A
著者Babault, N, Anqi, M, Jin, J.
登録日2017-11-21
公開日2019-05-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
7AE4
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BU of 7ae4 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in closed form
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Marshall, S.A, Leys, D.
登録日2020-09-17
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published

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