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5AWQ
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BU of 5awq by Molmil
Arthrobacter globiformis T6 isomalto-dextranse complexed with panose
分子名称: Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
著者Tonozuka, T.
登録日2015-07-08
公開日2015-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
7BO4
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BU of 7bo4 by Molmil
Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
2O84
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BU of 2o84 by Molmil
Crystal structure of K206E mutant of N-lobe human transferrin
分子名称: CARBONATE ION, FE (III) ION, POTASSIUM ION, ...
著者Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N.
登録日2006-12-12
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin.
Acta Crystallogr.,Sect.D, 63, 2007
2O8E
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BU of 2o8e by Molmil
human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only
分子名称: 5'-D(*CP*CP*TP*AP*GP*CP*CP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*GP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ...
著者Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S.
登録日2006-12-12
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
5B5E
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BU of 5b5e by Molmil
Crystal structure analysis of Photosystem II complex
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Tanaka, A, Fukushima, Y, Kamiya, N.
登録日2016-05-02
公開日2017-02-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II
J. Am. Chem. Soc., 139, 2017
2WON
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BU of 2won by Molmil
Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type).
分子名称: 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE
著者Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H.
登録日2009-07-27
公開日2010-08-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1.
Antimicrob.Agents Chemother., 54, 2010
6TO4
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BU of 6to4 by Molmil
Imine Reductase from Myxococcus stipitatus in complex with NADP+
分子名称: Coenzyme F420-dependent NADP oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sharma, M, Nestl, B, Grogan, G.
登録日2019-12-11
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Inverting the Stereoselectivity of an NADH-Dependent Imine-Reductase Variant
Chemcatchem, 2021
5B2X
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BU of 5b2x by Molmil
Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan
分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2016-02-03
公開日2017-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of P450BM3 with decoy molecules
to be published
4COP
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BU of 4cop by Molmil
HIV-1 capsid C-terminal domain mutant (Y169S)
分子名称: CAPSID PROTEIN P24
著者Bharat, T.A.M, Castillo-Menendez, L.R, Hagen, W.J.H, Lux, V, Igonet, S, Schorb, M, Schur, F.K.M, Krausslich, H.-G, Briggs, J.A.G.
登録日2014-01-29
公開日2014-06-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cryo-Electron Microscopy of Tubular Arrays of HIV-1 Gag Resolves Structures Essential for Immature Virus Assembly.
Proc.Natl.Acad.Sci.USA, 111, 2014
5WXM
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BU of 5wxm by Molmil
Crystal structure of the Imp3 and Mpp10 complex
分子名称: SULFATE ION, U3 small nucleolar RNA-associated protein MPP10, U3 small nucleolar ribonucleoprotein protein IMP3
著者Ye, K, Zheng, S.
登録日2017-01-07
公開日2017-06-28
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
2NTG
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BU of 2ntg by Molmil
Structure of Spin-labeled T4 Lysozyme Mutant T115R7
分子名称: BETA-MERCAPTOETHANOL, Lysozyme, S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
登録日2006-11-07
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
2ODW
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BU of 2odw by Molmil
MSrecA-ATP-GAMA-S complex
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein recA
著者Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2006-12-27
公開日2007-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
2HVN
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BU of 2hvn by Molmil
Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst)
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-07-29
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
2NTT
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BU of 2ntt by Molmil
Crystal Structure of SEK
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K
著者Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J.
登録日2006-11-08
公開日2007-06-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
2HVO
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BU of 2hvo by Molmil
Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst)
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-07-29
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
5X0Z
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BU of 5x0z by Molmil
Crystal structure of FliM-SpeE complex from H. pylori
分子名称: CITRATE ANION, Flagellar motor switch protein (FliM), Polyamine aminopropyltransferase
著者Zhang, H, Au, S.W.N.
登録日2017-01-23
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A putative spermidine synthase interacts with flagellar switch protein FliM and regulates motility in Helicobacter pylori
Mol. Microbiol., 106, 2017
5WUR
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BU of 5wur by Molmil
Crystal structure of SigW in complex with its anti-sigma RsiW, an oxdized form
分子名称: Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW
著者Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y.
登録日2016-12-20
公開日2017-03-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW
PLoS ONE, 12, 2017
6TGX
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BU of 6tgx by Molmil
Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue
分子名称: Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA
著者Layer, D, Kopp, J, Lapouge, K, Sinning, I.
登録日2019-11-18
公開日2020-06-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
6HF7
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BU of 6hf7 by Molmil
Crystal structure of the adenylate kinase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4
分子名称: Adenylate kinase, GLYCEROL, MAGNESIUM ION, ...
著者Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E.
登録日2018-08-21
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Protein crystal structure determination with the crystallophore, a nucleating and phasing agent.
J.Appl.Crystallogr., 52, 2019
6HAC
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BU of 6hac by Molmil
Crystal structure of [Fe]-hydrogenase (Hmd) holoenzyme from Methanococcus aeolicus (open form)
分子名称: 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, PENTAETHYLENE GLYCOL, ...
著者Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
登録日2018-08-07
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
2WQR
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BU of 2wqr by Molmil
The high resolution crystal structure of IgE Fc
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, IG EPSILON CHAIN C REGION, ...
著者Dhaliwal, B, Sutton, B.J, Beavil, A.J.
登録日2009-08-26
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Changes in Ige Contribute to its Uniquely Slow Dissociation Rate from Receptor Fceri
Nat.Struct.Mol.Biol., 18, 2011
5WFL
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BU of 5wfl by Molmil
Kelch domain of human Keap1 in open unliganded conformation
分子名称: Kelch-like ECH-associated protein 1, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-12
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
2OMG
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BU of 2omg by Molmil
Structure of human insulin cocrystallized with protamine and urea
分子名称: CHLORIDE ION, FORMAMIDE, Insulin A chain, ...
著者Norrman, M, Schluckebier, G.
登録日2007-01-22
公開日2007-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural characterization of insulin NPH formulations.
EUR.J.PHARM.SCI., 30, 2007
6T92
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NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH and the substrate formate at a secondary site.
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
登録日2019-10-25
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020

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