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1TQV
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BU of 1tqv by Molmil
Golgi alpha-Mannosidase II In Complex With Seleno-Salacinol (Blintol)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-02-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
TETRAHEDRON ASYMMETRY, 16, 2005
1TQT
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Golgi alpha-Mannosidase II In Complex With A Diastereomer of Salacinol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-01-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
6KGN
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BU of 6kgn by Molmil
LSD1-CoREST-S2116 N5 adduct model
分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2019-07-12
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
3NVJ
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BU of 3nvj by Molmil
Crystal structure of the C143A/C166A mutant of Ero1p
分子名称: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, Endoplasmic oxidoreductin-1, ...
著者Fass, D, Vonshak, O.
登録日2010-07-08
公開日2010-11-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Steps in reductive activation of the disulfide-generating enzyme Ero1p
Protein Sci., 19, 2010
1SU6
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BU of 1su6 by Molmil
Carbon monoxide dehydrogenase from Carboxydothermus hydrogenoformans: CO reduced state
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
4BT9
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BU of 4bt9 by Molmil
CRYSTAL STRUCTURE OF THE PEPTIDE(PRO-PRO-GLY)3 BOUND COMPLEX OF N- TERMINAL DOMAIN AND PEPTIDE SUBSTRATE BINDING DOMAIN OF PROLYL-4 HYDROXYLASE (RESIDUES 1-238) TYPE I FROM HUMAN
分子名称: (PRO-PRO-GLY)3 PEPTIDE, PROLYL 4-HYDROXYLASE SUBUNIT ALPHA-1
著者Anantharajan, J, Koski, M.K, Wierenga, R.K.
登録日2013-06-14
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Structural Motifs for Substrate Binding and Dimerization of the Alpha Subunit of Collagen Prolyl 4-Hydroxylase
Structure, 21, 2013
1TQW
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BU of 1tqw by Molmil
Golgi alpha-Mannosidase II In Complex With A Diastereomer of Seleno-Salacinol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-02-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Insights into the Mechanism of Drosophila melanogaster Golgi a-Mannosidase II Through Crystallographic Analysis of the Interactions with Analogues of the Naturally Occurring Glycomimetic Salacinol
TETRAHEDRON ASYMMETRY, 16, 2005
1UAZ
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BU of 1uaz by Molmil
Crystal structure of archaerhodopsin-1
分子名称: RETINAL, archaerhodopsin-1
著者Enami, N, Okumua, H, Kouyama, T.
登録日2003-03-26
公開日2003-04-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献X-ray crystallographic studies of archaerhodopsin
J.Photosci., 9, 2003
1TQS
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BU of 1tqs by Molmil
Golgi alpha-Mannosidase II In Complex With Salacinol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-01-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
3SDO
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BU of 3sdo by Molmil
Structure of a Nitrilotriacetate monooxygenase from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, Nitrilotriacetate monooxygenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-09
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a Nitrilotriacetate monooxygenase from Burkholderia pseudomallei
To be Published
3N69
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BU of 3n69 by Molmil
Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2010-05-25
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
4LWL
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BU of 4lwl by Molmil
Crystal structure of methionine sulfoxide reductase U16C/E55A from clostridium oremlandii
分子名称: ACETATE ION, Peptide methionine sulfoxide reductase MsrA
著者Hwang, K.Y, Lee, E.H.
登録日2013-07-27
公開日2014-06-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of 1-Cys type selenoprotein methionine sulfoxide reductase A
Arch.Biochem.Biophys., 545, 2014
5RB6
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PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001569a
分子名称: 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea, CHLORIDE ION, Lysine-specific demethylase 3B, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
3OX2
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BU of 3ox2 by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Pegan, S.D, Sturdy, M, Mesecar, A.D.
登録日2010-09-21
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
6JLL
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BU of 6jll by Molmil
XFEL structure of cyanobacterial photosystem II (2F state, dataset1)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
2RAF
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BU of 2raf by Molmil
Crystal structure of putative dinucleotide-binding oxidoreductase (NP_786167.1) from Lactobacillus plantarum at 1.60 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative Dinucleotide-Binding Oxidoreductase
著者Joint Center for Structural Genomics (JCSG)
登録日2007-09-14
公開日2007-10-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of putative dinucleotide-binding oxidoreductase (NP_786167.1) from Lactobacillus plantarum at 1.60 A resolution
To be published
3E2T
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BU of 3e2t by Molmil
The catalytic domain of chicken tryptophan hydroxylase 1 with bound tryptophan
分子名称: FE (III) ION, IMIDAZOLE, SULFATE ION, ...
著者Windahl, M.S, Petersen, C.R, Christensen, H.E.C, Harris, P.
登録日2008-08-06
公開日2008-11-04
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 tryptophan hydroxylase with bound amino acid substrate
Biochemistry, 47, 2008
2Z3T
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BU of 2z3t by Molmil
Crystal Structure of Substrate Free Cytochrome P450 StaP (CYP245A1)
分子名称: 1,2-ETHANEDIOL, Cytochrome P450, IMIDAZOLE, ...
著者Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
登録日2007-06-06
公開日2007-07-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
4ORM
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BU of 4orm by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.A.
登録日2014-02-11
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Fluorine Modulates Species Selectivity in the Triazolopyrimidine Class of Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors.
J.Med.Chem., 57, 2014
1ICV
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BU of 1icv by Molmil
THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID
分子名称: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE
著者Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A.
登録日2001-04-02
公開日2001-04-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution.
J.Mol.Biol., 309, 2001
2E77
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Crystal structure of L-lactate oxidase with pyruvate complex
分子名称: FLAVIN MONONUCLEOTIDE, Lactate oxidase, PYRUVIC ACID
著者Morimoto, Y.
登録日2007-01-06
公開日2007-11-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic study on the interaction of L-lactate oxidase with pyruvate at 1.9 Angstrom resolution.
Biochem.Biophys.Res.Commun., 358, 2007
4G8W
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BU of 4g8w by Molmil
Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser on
分子名称: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
2UXX
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BU of 2uxx by Molmil
Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct
分子名称: CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ...
著者Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H.
登録日2007-03-30
公開日2007-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
5QJ2
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CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ...
著者Khan, J.A.
登録日2018-09-26
公開日2019-02-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Potent Triazolopyridine Myeloperoxidase Inhibitors.
ACS Med Chem Lett, 9, 2018
4G2G
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Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol
分子名称: 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ...
著者Hudson, S.A.
登録日2012-07-12
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012

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