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7Y5U
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BU of 7y5u by Molmil
Cryo-EM structure of the monomeric human CAF1LC-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M.
登録日2022-06-17
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
1VYB
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BU of 1vyb by Molmil
Endonuclease domain of human LINE1 ORF2p
分子名称: GLYCEROL, ORF2 CONTAINS A REVERSE TRANSCRIPTASE DOMAIN, SULFATE ION, ...
著者Weichenrieder, O, Repanas, K, Perrakis, A.
登録日2004-04-25
公開日2004-06-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the targeting endonuclease of the human LINE-1 retrotransposon.
Structure, 12, 2004
8BRN
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BU of 8brn by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Hussein, W.M, Guddat, L.W, Schenk, G.
登録日2022-11-23
公開日2023-08-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of an alpha-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches.
Eur.J.Med.Chem., 254, 2023
6ROH
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BU of 6roh by Molmil
Cryo-EM structure of the autoinhibited Drs2p-Cdc50p
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 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Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
登録日2019-05-13
公開日2019-07-03
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
3UGD
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BU of 3ugd by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ...
著者Shanmugasundararaj, S, Stehle, T, Miller, K.W.
登録日2011-11-02
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
1Z30
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BU of 1z30 by Molmil
NMR structure of the apical part of stemloop D from cloverleaf 1 of bovine enterovirus 1 RNA
分子名称: 5'-R(*GP*GP*CP*GP*UP*UP*CP*GP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-3'
著者Ihle, Y, Ohlenschlager, O, Duchardt, E, Ramachandran, R, Gorlach, M.
登録日2005-03-10
公開日2005-04-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A novel cGUUAg tetraloop structure with a conserved yYNMGg-type backbone conformation from cloverleaf 1 of bovine enterovirus 1 RNA
Nucleic Acids Res., 33, 2005
1AKE
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BU of 1ake by Molmil
STRUCTURE OF THE COMPLEX BETWEEN ADENYLATE KINASE FROM ESCHERICHIA COLI AND THE INHIBITOR AP5A REFINED AT 1.9 ANGSTROMS RESOLUTION: A MODEL FOR A CATALYTIC TRANSITION STATE
分子名称: ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
著者Mueller, C.W, Schulz, G.E.
登録日1991-11-08
公開日1994-01-31
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the complex between adenylate kinase from Escherichia coli and the inhibitor Ap5A refined at 1.9 A resolution. A model for a catalytic transition state.
J.Mol.Biol., 224, 1992
3M7K
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BU of 3m7k by Molmil
Crystal structure of PacI-DNA Enzyme product complex
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*TP*TP*AP*AP*T)-3'), DNA (5'-D(P*TP*AP*AP*GP*CP*CP*TP*C)-3'), ...
著者Shen, B.W, Stoddard, B.L.
登録日2010-03-16
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI.
Structure, 18, 2010
4LCT
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BU of 4lct by Molmil
Crystal Structure and Versatile Functional Roles of the COP9 Signalosome Subunit 1
分子名称: COP9 signalosome complex subunit 1, SULFATE ION
著者Lee, J.-H, Yi, L, Li, J, Schweitzer, K, Borgmann, M, Naumann, M, Wu, H.
登録日2013-06-23
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and versatile functional roles of the COP9 signalosome subunit 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
6M4L
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BU of 6m4l by Molmil
X-ray crystal structure of the E249Q mutant of alpha-amylase I from Eisenia fetida
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Hirano, Y, Tsukamoto, K, Ariki, S, Naka, Y, Ueda, M, Tamada, T.
登録日2020-03-07
公開日2020-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystallographic structural studies of alpha-amylase I from Eisenia fetida.
Acta Crystallogr D Struct Biol, 76, 2020
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
1W32
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BU of 1w32 by Molmil
The 3-dimensional structure of a thermostable mutant of a xylanase (Xyn10A) from Cellvibrio japonicus
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, ENDO-1,4-BETA-XYLANASE A PRECURSOR
著者Andrews, S, Taylor, E.J, Pell, G.N, Vincent, F, Ducros, V.M.A, Davies, G.J, Lakey, J.H, Gilbert, H.J.
登録日2004-07-12
公開日2004-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Use of Forced Protein Evolution to Investigate and Improve Stability of Family 10 Xylanases: The Production of Ca2+-Independent Stable Xylanases
J.Biol.Chem., 279, 2004
2XCS
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BU of 2xcs by Molmil
The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA
分子名称: 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ...
著者Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
登録日2010-04-25
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
3AS1
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BU of 3as1 by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL
著者Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
登録日2010-12-09
公開日2011-04-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
1W9L
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BU of 1w9l by Molmil
Myosin II Dictyostelium discoideum motor domain S456E bound with MgADP-AlF4
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Morris, C.A, Coureux, P.-D, Wells, A.L, Houdusse, A, Sweeney, H.L.
登録日2004-10-13
公開日2006-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Function Analysis of Myosin II Backdoor Mutants
To be Published
4LM8
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BU of 4lm8 by Molmil
Crystal structure of the outer membrane decaheme cytochrome MtrC
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Clarke, T.A, Edwards, M.J.
登録日2013-07-10
公開日2015-02-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Redox Linked Flavin Sites in Extracellular Decaheme Proteins Involved in Microbe-Mineral Electron Transfer.
Sci Rep, 5, 2015
6CQY
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BU of 6cqy by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6
分子名称: 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, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
6RV8
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BU of 6rv8 by Molmil
Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor covalent complex with the aldouronic acid UXXR
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ...
著者Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S.
登録日2019-05-31
公開日2020-03-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
1LOL
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BU of 1lol by Molmil
Crystal structure of orotidine monophosphate decarboxylase complex with XMP
分子名称: 1,3-BUTANEDIOL, XANTHOSINE-5'-MONOPHOSPHATE, orotidine 5'-monophosphate decarboxylase
著者Wu, N, Pai, E.F.
登録日2002-05-06
公開日2002-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase.
J.Biol.Chem., 277, 2002
3M3J
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BU of 3m3j by Molmil
A new crystal form of Lys48-linked diubiquitin
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Ubiquitin
著者Trempe, J.F, Brown, N.R, Noble, M.E.M, Endicott, J.A.
登録日2010-03-09
公開日2010-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new crystal form of Lys48-linked diubiquitin.
Acta Crystallogr.,Sect.F, 66, 2010
7FY8
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Crystal Structure of human FABP1 in complex with 2-[[4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
分子名称: 2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, liver, ...
著者Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
4CL1
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BU of 4cl1 by Molmil
The crystal structure of NS5A domain 1 from genotype 1a reveals new clues to the mechanism of action for dimeric HCV inhibitors
分子名称: NON-STRUCTURAL PROTEIN 5A, SULFATE ION, ZINC ION
著者Lambert, S.M, Langley, D.R, Garnett, J.A, Angell, R, Hedgethorne, K, Meanwell, N.A, Matthews, S.J.
登録日2014-01-10
公開日2014-04-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The Crystal Structure of Ns5A Domain 1 from Genotype 1A Reveals New Clues to the Mechanism of Action for Dimeric Hcv Inhibitors.
Protein Sci., 23, 2014
7G0E
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BU of 7g0e by Molmil
Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM
分子名称: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
4L8O
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Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from Clostridium hylemonae DSM 15053 at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, Bile acid 7a-dehydratase, BaiE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-06-17
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from Clostridium hylemonae DSM 15053 at 2.20 A resolution
To be published
6LMQ
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Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid
分子名称: (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ...
著者Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
登録日2019-12-26
公開日2020-09-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020

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