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4NRA
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BU of 4nra by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322
分子名称: 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B
著者Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
1VG8
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BU of 1vg8 by Molmil
GPPNHP-Bound Rab7
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-7
著者Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K.
登録日2004-04-23
公開日2004-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease
Cell(Cambridge,Mass.), 117, 2004
4NE3
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BU of 4ne3 by Molmil
Human MHF1-MHF2 complex
分子名称: Centromere protein S, Centromere protein X
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2013-12-25
最終更新日2014-02-12
実験手法X-RAY DIFFRACTION (1.8007 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4DD5
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BU of 4dd5 by Molmil
Biosynthetic Thiolase (ThlA1) from Clostridium difficile
分子名称: Acetyl-CoA acetyltransferase
著者Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-18
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Biosynthetic Thiolase (ThlA1) from Clostridium difficile
To be Published
1L1O
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BU of 1l1o by Molmil
Structure of the human Replication Protein A (RPA) trimerization core
分子名称: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit, Replication protein A 70 kDa DNA-binding subunit, ...
著者Bochkareva, E.V, Korolev, S, Lees-Miller, S.P, Bochkarev, A.
登録日2002-02-19
公開日2002-06-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the RPA trimerization core and its role in the multistep DNA-binding mechanism of RPA.
EMBO J., 21, 2002
1Z1Z
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BU of 1z1z by Molmil
NMR structure of the gpu tail protein from lambda bacteriophage
分子名称: Minor tail protein U
著者Edmonds, L, Maxwell, K, Davidson, A, Donaldson, L.W.
登録日2005-03-07
公開日2006-04-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The NMR structure of the gpU tail-terminator protein from bacteriophage lambda: identification of sites contributing to Mg(II)-mediated oligomerization and biological function.
J.Mol.Biol., 365, 2007
3ZP7
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BU of 3zp7 by Molmil
Arg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate
分子名称: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, CHORISMATE MUTASE AROH, PREPHENIC ACID
著者Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U.
登録日2013-02-26
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
1VDH
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BU of 1vdh by Molmil
Structure-based functional identification of a novel heme-binding protein from thermus thermophilus HB8
分子名称: muconolactone isomerase-like protein
著者Ebihara, A, Okamoto, A, Kousumi, Y, Yamamoto, H, Masui, R, Ueyama, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-03-22
公開日2004-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based functional identification of a novel heme-binding protein from Thermus thermophilus HB8.
J.STRUCT.FUNCT.GENOM., 6, 2005
3ZP4
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BU of 3zp4 by Molmil
Arg90Cit chorismate mutase of Bacillus subtilis in complex with a transition state analog
分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE AROH
著者Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U.
登録日2013-02-26
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZOP
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BU of 3zop by Molmil
Arg90Cit chorismate mutase of Bacillus subtilis at 1.6 A resolution
分子名称: CHORISMATE MUTASE AROH
著者Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U.
登録日2013-02-22
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
1VG1
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BU of 1vg1 by Molmil
GDP-Bound Rab7
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7
著者Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K.
登録日2004-04-22
公開日2004-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease
Cell(Cambridge,Mass.), 117, 2004
6BHF
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BU of 6bhf by Molmil
Crystal structure of the petidylprolyl cis,trans-isomerase from Helicobacter pylori
分子名称: Putative peptidyl-prolyl cis-trans isomerase HP_0175
著者Yaseen, A, Audette, G.F.
登録日2017-10-30
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural flexibility in the Helicobacter pylori peptidyl-prolyl cis,trans-isomerase HP0175 is achieved through an extension of the chaperone helices.
J. Struct. Biol., 204, 2018
1KZM
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BU of 1kzm by Molmil
Distal Heme Pocket Mutant (R38S/H42E) of Recombinant Horseradish Peroxidase C (HRP C).
分子名称: CACODYLATE ION, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Meno, K, Henriksen, A, Smith, A.T, Gajhede, M.
登録日2002-02-07
公開日2002-10-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of the two horseradish peroxidase catalytic residue variants H42E and R38S/H42E: implications for the catalytic cycle.
Acta Crystallogr.,Sect.D, 58, 2002
1H2C
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BU of 1h2c by Molmil
Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant).
分子名称: 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40
著者Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
登録日2002-08-05
公開日2003-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
8P0I
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BU of 8p0i by Molmil
Crystal structure of the open conformation of insulin-regulated aminopeptidase in complex with a small-MW inhibitor
分子名称: 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-methyl-N-[(2-methylpyridin-3-yl)methyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Giastas, P, Stratikos, E.
登録日2023-05-10
公開日2024-09-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Stabilization of the open conformation omicron f insulin-regulated aminopeptidase by a novel substrate-selective small-molecule inhibitor.
Protein Sci., 33, 2024
4LPW
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BU of 4lpw by Molmil
Crystal structure of TENCON variant A6
分子名称: TENCON variant A6
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4CVJ
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BU of 4cvj by Molmil
Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K
分子名称: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE
著者Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E.
登録日2014-03-27
公開日2014-07-16
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION
主引用文献Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
8OS1
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BU of 8os1 by Molmil
X-ray structure of the Peroxisomal Targeting Signal 1 (PTS1) of Trypanosoma Cruzi PEX5 in complex with the PTS1 peptide
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Napolitano, V, Blat, A, Popowicz, G.M, Dubin, G.
登録日2023-04-17
公開日2024-10-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural dynamics of the TPR domain of the peroxisomal cargo receptor Pex5 in Trypanosoma.
Int.J.Biol.Macromol., 280, 2024
4D52
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BU of 4d52 by Molmil
CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH L-GALACTOPYRANOSE.
分子名称: DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, SODIUM ION, ...
著者Houser, J, Cioci, G, Komarek, J, Wimmerowa, M, Kostlanova, N, Lahmann, M, Varrot, A, Imberty, A.
登録日2014-11-01
公開日2015-03-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
1W5W
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HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
分子名称: (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN
著者Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
登録日2004-08-10
公開日2004-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
5DEF
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BU of 5def by Molmil
Crystal structure of B*27:04 complex bound to the pVIPR peptide
分子名称: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
著者Loll, B, Fabian, H, Huser, H, Hee, C.S, Uchanska-Ziegler, B, Ziegler, A.
登録日2015-08-25
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis.
Arthritis Rheumatol, 68, 2016
1W2O
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Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C
分子名称: DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION
著者Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I.
登録日2004-07-07
公開日2004-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase
J.Mol.Biol., 343, 2004
1F7Y
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THE CRYSTAL STRUCTURE OF TWO UUCG LOOPS HIGHLIGHTS THE ROLE PLAYED BY 2'-HYDROXYL GROUPS IN ITS UNUSUAL STABILITY
分子名称: 16S RIBOSOMAL RNA FRAGMENT, 30S RIBOSOMAL PROTEIN S15, MAGNESIUM ION, ...
著者Ennifar, E, Nikouline, A, Serganov, A, Tishchenko, S, Nevskaya, N, Garber, M, Ehresmann, B, Ehresmann, C, Nikonov, S, Dumas, P.
登録日2000-06-28
公開日2000-11-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of UUCG tetraloop.
J.Mol.Biol., 304, 2000
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
4D4U
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BU of 4d4u by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with LewisY tetrasaccharide.
分子名称: FUCOSE-SPECIFIC LECTIN FLEA, GLYCEROL, alpha-L-fucopyranose, ...
著者Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
登録日2014-10-31
公開日2015-03-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015

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