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6BNG
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BU of 6bng by Molmil
Structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Acinetobacter baumannii
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-11-16
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Acinetobacter baumannii
to be published
5B24
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BU of 5b24 by Molmil
The crystal structure of the nucleosome containing cyclobutane pyrimidine dimer
分子名称: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Horikoshi, N, Tachiwana, H, Kagawa, W, Osakabe, A, Kurumizaka, H.
登録日2015-12-31
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of the nucleosome containing ultraviolet light-induced cyclobutane pyrimidine dimer
Biochem.Biophys.Res.Commun., 471, 2016
4K5K
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BU of 4k5k by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-04-14
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1LL6
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BU of 1ll6 by Molmil
STRUCTURE OF THE D169N MUTANT OF C. IMMITIS CHITINASE 1
分子名称: CHITINASE 1
著者Bortone, K, Monzingo, A.F, Ernst, S, Robertus, J.D.
登録日2002-04-26
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献THE STRUCTURE OF AN ALLOSAMIDIN COMPLEX WITH THE COCCIDIOIDES IMMITIS CHITINASE DEFINES A ROLE FOR A SECOND ACID RESIDUE IN SUBSTRATE-ASSISTED MECHANISM
J.Mol.Biol., 320, 2002
6BYH
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BU of 6byh by Molmil
Ubiquitin Variant (UbV.Fl11.1) bound to a human Skp1-Fbl11 fragment complex.
分子名称: Lysine-specific demethylase 2A, Polyubiquitin-B, S-phase kinase-associated protein 1
著者Manczyk, N, Sicheri, F.
登録日2017-12-20
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
3H06
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BU of 3h06 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR2 bound to the willardiine antagonist, UBP282
分子名称: 4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid, Glutamate receptor 2
著者Ahmed, A.H, Oswald, R.E.
登録日2009-04-08
公開日2009-05-05
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanisms of antagonism of the GluR2 AMPA receptor: structure and dynamics of the complex of two willardiine antagonists with the glutamate binding domain.
Biochemistry, 48, 2009
4K74
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BU of 4k74 by Molmil
The UmuC subunit of the E. coli DNA polymerase V shows a unique interaction with the beta-clamp processivity factor.
分子名称: DNA polymerase III subunit beta, UmuC peptide
著者Patoli, A.A, Winter, J.A, Bunting, K.A.
登録日2013-04-16
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The UmuC subunit of the E. coli DNA polymerase V shows a unique interaction with the beta-clamp processivity factor.
Bmc Struct.Biol., 13, 2013
4Z09
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BU of 4z09 by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Thr2040Ala] peptide
分子名称: Apical membrane antigen 1, GLYCEROL, Rhoptry neck protein 2
著者Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
登録日2015-03-26
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
1LLO
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BU of 1llo by Molmil
HEVAMINE A (A PLANT ENDOCHITINASE/LYSOZYME) COMPLEXED WITH ALLOSAMIDIN
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Hevamine-A
著者Terwisscha Van Scheltinga, A.C, Armand, S, Kalk, K.H, Isogai, A, Henrissat, B, Dijkstra, B.W.
登録日1995-11-08
公開日1996-03-08
最終更新日2022-06-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Stereochemistry of chitin hydrolysis by a plant chitinase/lysozyme and X-ray structure of a complex with allosamidin: evidence for substrate assisted catalysis.
Biochemistry, 34, 1995
2XZ0
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BU of 2xz0 by Molmil
The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
分子名称: 1,2-ETHANEDIOL, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ...
著者Moche, M, Guy, J.E, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y.
登録日2010-11-22
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
1LNQ
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BU of 1lnq by Molmil
CRYSTAL STRUCTURE OF MTHK AT 3.3 A
分子名称: CALCIUM ION, POTASSIUM CHANNEL RELATED PROTEIN
著者Jiang, Y, Lee, A, Chen, J, Cadene, M, Chait, B.T, Mackinnon, R.
登録日2002-05-03
公開日2002-06-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献CRYSTAL STRUCTURE AND MECHANISM OF A CALCIUM-GATED POTASSIUM CHANNEL
Nature, 417, 2002
3H13
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BU of 3h13 by Molmil
c-FLIPL protease-like domain
分子名称: CASP8 and FADD-like apoptosis regulator
著者Jeffrey, P.D, Yu, J.W, Shi, Y.
登録日2009-04-10
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of procaspase-8 activation by c-FLIPL.
Proc.Natl.Acad.Sci.USA, 106, 2009
2Y33
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BU of 2y33 by Molmil
S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9
分子名称: EGL NINE HOMOLOG 1, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
著者Chowdhury, R, Clifton, I.J, Schofield, C.J.
登録日2010-12-18
公開日2010-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1)
J.Mol.Biol., 410, 2011
5B7E
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BU of 5b7e by Molmil
Structure of perdeuterated CueO
分子名称: Blue copper oxidase CueO, COPPER (II) ION, CU-O-CU LINKAGE, ...
著者Akter, M, Higuchi, Y, Shibata, N.
登録日2016-06-07
公開日2016-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Biochemical, spectroscopic and X-ray structural analysis of deuterated multicopper oxidase CueO prepared from a new expression construct for neutron crystallography
Acta Crystallogr.,Sect.F, 72, 2016
4Z17
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BU of 4z17 by Molmil
Thermostable enolase from Chloroflexus aurantiacus
分子名称: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
著者Zadvornyy, O.A, Peters, J.W.
登録日2015-03-26
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Biochemical and Structural Characterization of Enolase from Chloroflexus aurantiacus: Evidence for a Thermophilic Origin.
Front Bioeng Biotechnol, 3, 2015
4K90
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BU of 4k90 by Molmil
Extracellular metalloproteinase from Aspergillus
分子名称: BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ...
著者Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I.
登録日2013-04-19
公開日2013-10-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus.
Acta Crystallogr.,Sect.D, 69, 2013
5B8A
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BU of 5b8a by Molmil
Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN
分子名称: Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION
著者Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G.
登録日2016-06-14
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins.
Sci Rep, 6, 2016
6BZT
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BU of 6bzt by Molmil
Crystal structure of halogenase PltM L111Y mutant in complex with FAD
分子名称: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
著者Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2017-12-26
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
2FYN
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BU of 2fyn by Molmil
Crystal Structure Analysis of the double mutant Rhodobacter Sphaeroides bc1 complex
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, Cytochrome b, Cytochrome c1, ...
著者Esser, L, Xia, D.
登録日2006-02-08
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Surface-modulated motion switch: Capture and release of iron-sulfur protein in the cytochrome bc1 complex.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
登録日2010-10-19
公開日2011-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
4Z6H
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BU of 4z6h by Molmil
Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand
分子名称: 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-04-05
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Z6N
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BU of 4z6n by Molmil
Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.52 Ang resolution
分子名称: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
4KA2
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BU of 4ka2 by Molmil
Crystal structure of CD4-mimetic miniprotein M48U12 in complex with HIV-1 YU2 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120, M48U12
著者Acharya, P, Kwong, P.D.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Interfacial Cavity Filling To Optimize CD4-Mimetic Miniprotein Interactions with HIV-1 Surface Glycoprotein.
J.Med.Chem., 56, 2013
6C18
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BU of 6c18 by Molmil
FGFR1 kinase complex with inhibitor SN37115
分子名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION
著者Yosaatmadja, Y, Smaill, J.B, Squire, C.J.
登録日2018-01-04
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
4Z8B
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BU of 4z8b by Molmil
crystal structure of a DGL mutant - H51G H131N
分子名称: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, GLYCEROL, ...
著者Zamora-Caballero, S, Perez, A, Sanz, L, Bravo, J, Calvete, J.J.
登録日2015-04-08
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Quaternary structure of Dioclea grandiflora lectin assessed by equilibrium sedimentation and crystallographic analysis of recombinant mutants.
Febs Lett., 589, 2015

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