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5KG1
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BU of 5kg1 by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 30 degree
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
2IHU
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BU of 2ihu by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus: putative reaction intermediate complex
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2- METHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM, Carboxyethylarginine synthase, ...
著者Caines, M.E, Schofield, C.J.
登録日2006-09-27
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and mechanistic studies on N(2)-(2-carboxyethyl)arginine synthase.
Biochem.Biophys.Res.Commun., 385, 2009
2INV
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BU of 2inv by Molmil
Crystal structure of Inulin fructotransferase in the presence of di-fructose
分子名称: Inulin fructotransferase, PHOSPHONATE, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose
著者Rhee, S, Jung, W.S.
登録日2006-10-09
公開日2006-12-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional insights into intramolecular fructosyl transfer by inulin fructotransferase
J.Biol.Chem., 282, 2007
2IOH
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BU of 2ioh by Molmil
Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase
著者Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E.
登録日2006-10-10
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
5KF4
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BU of 5kf4 by Molmil
Crystal structure of FN3 domain (Residues P368-P466) of Human collagen XX
分子名称: Collagen alpha-1(XX) chain
著者Xie, Y, Cheng, Z, Zhao, J.
登録日2016-06-12
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the second fibronectin type III (FN3) domain from human collagen alpha 1 type XX
Acta Crystallogr F Struct Biol Commun, 73, 2017
2IIF
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BU of 2iif by Molmil
single chain Integration Host Factor mutant protein (scIHF2-K45aE) in complex with DNA
分子名称: DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ...
著者Bao, Q, Droege, P, Davey, C.A.
登録日2006-09-28
公開日2007-02-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending
J.Mol.Biol., 367, 2007
5KFC
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BU of 5kfc by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction with 1 mM Mn2+ for 180s
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
2IIR
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BU of 2iir by Molmil
Acetate kinase from a hypothermophile Thermotoga maritima
分子名称: Acetate kinase
著者Mukhopadhyay, S, Hasson, M.S, Sanders, D.A.
登録日2006-09-28
公開日2007-09-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Acetate kinase from a hypothermophile Thermotoga maritima
To be Published
5KFL
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BU of 5kfl by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction with 10 mM Mn2+ for 600s
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
5KFX
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BU of 5kfx by Molmil
Human DNA polymerase eta R61A-DNA ternary complex: reaction with 1 mM Mg2+ for 300s
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
2IL1
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BU of 2il1 by Molmil
Crystal structure of a predicted human GTPase in complex with GDP
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-10-02
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a predicted human GTPase in complex with GDP
To be Published
5KI9
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BU of 5ki9 by Molmil
Crystal structure of human beta-defensin 4 (HBD4)
分子名称: Beta-defensin 104, SULFATE ION, trifluoroacetic acid
著者Jacek, L, Adam, P, Marzenam, P.
登録日2016-06-16
公開日2017-06-28
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Human beta-Defensin 4: defensin without the "twist"
To Be Published
2IRW
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BU of 2irw by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor
分子名称: (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Longenecker, K.L, Patel, J.R, Russell, J, Qin, W.
登録日2006-10-16
公開日2007-01-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
5KII
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BU of 5kii by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88PHE-METHYL
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin, PHOSPHATE ION
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
5JP6
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BU of 5jp6 by Molmil
Bdellovibrio bacteriovorus peptidoglycan deacetylase Bd3279
分子名称: MAGNESIUM ION, Putative polysaccharide deacetylase, ZINC ION
著者Lovering, A.L.
登録日2016-05-03
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interrupting peptidoglycan deacetylation during Bdellovibrio predator-prey interaction prevents ultimate destruction of prey wall, liberating bacterial-ghosts.
Sci Rep, 6, 2016
5KIS
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BU of 5kis by Molmil
YenB/RHS2 complex
分子名称: CALCIUM ION, CHLORIDE ION, RHS2, ...
著者Busby, J.N, Hurst, M.R.H, Lott, J.S.
登録日2016-06-16
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a new BC complex from Yersinia entomophaga
To Be Published
6LH4
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BU of 6lh4 by Molmil
Crystal structural of MacroD1-ADPr complex
分子名称: ADP-ribose glycohydrolase MACROD1, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Yang, X, Ma, Y, Li, Y.
登録日2019-12-06
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
5JQ0
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BU of 5jq0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7
分子名称: 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION
著者Alterio, V, Esposito, D, Di Fiore, A, De Simone, G.
登録日2016-05-04
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
2ITC
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BU of 2itc by Molmil
Potassium Channel KcsA-Fab complex in Sodium Chloride
分子名称: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, SODIUM ION, ...
著者Lockless, S.W, Zhou, M, MacKinnon, R.
登録日2006-10-19
公開日2007-05-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Thermodynamic Properties of Selective Ion Binding in a K(+) Channel.
Plos Biol., 5, 2007
5JQL
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BU of 5jql by Molmil
Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 Void of Bound Phospholipid from Saccharomyces Cerevisiae at 2.9 Angstroms Resolution
分子名称: Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial
著者Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F.
登録日2016-05-05
公開日2017-07-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular mechanism of mitochondrial phosphatidate transfer by Ups1
Commun Biol, 2020
5JRL
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BU of 5jrl by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (Native)
分子名称: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein
著者Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
登録日2016-05-06
公開日2016-09-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JS5
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BU of 5js5 by Molmil
Nitric oxide complex of the L16F mutant of cytochrome c prime from Alcaligenes xylosoxidans
分子名称: ASCORBIC ACID, Cytochrome c', HEME C, ...
著者Kekilli, D, Strange, R.W, Hough, M.A.
登録日2016-05-07
公開日2017-03-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design.
Chem Sci, 8, 2017
5JSJ
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BU of 5jsj by Molmil
Crystal structure of Spindlin1 bound to compound EML631
分子名称: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
著者Su, X, Li, H.
登録日2016-05-08
公開日2017-05-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
5JSM
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BU of 5jsm by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM
分子名称: BENZAMIDINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Grasso, M.J, Marmorstein, R.
登録日2016-05-08
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
1L3W
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BU of 1l3w by Molmil
C-cadherin Ectodomain
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Boggon, T.J, Murray, J, Chappuis-Flament, S, Wong, E, Gumbiner, B.M, Shapiro, L.
登録日2002-03-01
公開日2002-04-26
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献C-cadherin ectodomain structure and implications for cell adhesion mechanisms
Science, 296, 2002

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