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6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
4Y5F
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BU of 4y5f by Molmil
PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, high dose
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Li, F, Burgie, E.S, Yu, T, Heroux, A, Schatz, G.C, Vierstra, R.D, Orville, A.M.
登録日2015-02-11
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome.
J.Am.Chem.Soc., 137, 2015
1Q05
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BU of 1q05 by Molmil
Crystal structure of the Cu(I) form of E. coli CueR, a copper efflux regulator
分子名称: COPPER (I) ION, Transcriptional regulator cueR
著者Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A.
登録日2003-07-15
公開日2003-09-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003
8IZE
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BU of 8ize by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP
分子名称: Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-07
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
2X90
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BU of 2x90 by Molmil
Crystal structure of AnCE-enalaprilat complex
分子名称: 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R.
登録日2010-03-14
公開日2010-06-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
2X8Z
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BU of 2x8z by Molmil
Crystal structure of AnCE-captopril complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ...
著者Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R.
登録日2010-03-14
公開日2010-06-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
4IAQ
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BU of 4iaq by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target)
分子名称: Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
著者Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
登録日2012-12-07
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
5EJE
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BU of 5eje by Molmil
Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, COBALT (II) ION
著者Sauer, U.H, Kovermann, M, Grundstrom, C, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2015-11-01
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for ligand binding to an enzyme by a conformational selection pathway.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6G7M
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BU of 6g7m by Molmil
Four-site variant (Y222C, C197S, C432S, C433S) of E. coli hydrogenase-2
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ...
著者Carr, S.B, Armstrong, F.A, Zhang, L, Beaton, S.E.
登録日2018-04-06
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters
Energy Environ Sci, 2019
1ISZ
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BU of 1isz by Molmil
Crystal structure of xylanase from Streptomyces olivaceoviridis E-86 complexed with galactose
分子名称: beta-D-galactopyranose, endo-1,4-beta-D-xylanase
著者Fujimoto, Z, Kuno, A, Kaneko, S, Kobayashi, H, Kusakabe, I, Mizuno, H.
登録日2001-12-27
公開日2002-02-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of the sugar complexes of Streptomyces olivaceoviridis E-86 xylanase: sugar binding structure of the family 13 carbohydrate binding module.
J.Mol.Biol., 316, 2002
5O4X
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BU of 5o4x by Molmil
Protein structure determination by electron diffraction using a single three-dimensional nanocrystal
分子名称: Lysozyme C
著者Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P.
登録日2017-05-31
公開日2017-08-23
最終更新日2024-01-17
実験手法ELECTRON CRYSTALLOGRAPHY (2.11 Å)
主引用文献Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
1GEU
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BU of 1geu by Molmil
ANATOMY OF AN ENGINEERED NAD-BINDING SITE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Mittl, P.R.E, Schulz, G.E.
登録日1994-01-18
公開日1994-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anatomy of an engineered NAD-binding site.
Protein Sci., 3, 1994
5N5O
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BU of 5n5o by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
著者Zhang, L, Hilgenfeld, R.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
3UUS
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BU of 3uus by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit alpha, ...
著者Zimanyi, C.M, Drennan, C.L.
登録日2011-11-28
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (5.65 Å)
主引用文献Structural interconversions modulate activity of Escherichia coli ribonucleotide reductase.
Proc.Natl.Acad.Sci.USA, 108, 2011
1JDU
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BU of 1jdu by Molmil
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE
分子名称: 5'-METHYLTHIOADENOSINE PHOSPHORYLASE
著者Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E.
登録日2001-06-15
公開日2001-10-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
1JAW
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BU of 1jaw by Molmil
AMINOPEPTIDASE P FROM E. COLI LOW PH FORM
分子名称: ACETATE ION, AMINOPEPTIDASE P, MANGANESE (II) ION
著者Wilce, M.C.J, Bond, C.S, Lilley, P.E, Dixon, N.E, Freeman, H.C, Guss, J.M.
登録日1997-12-22
公開日1999-04-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and mechanism of a proline-specific aminopeptidase from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 95, 1998
1GET
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BU of 1get by Molmil
ANATOMY OF AN ENGINEERED NAD-BINDING SITE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mittl, P.R.E, Schulz, G.E.
登録日1994-01-18
公開日1994-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Anatomy of an engineered NAD-binding site.
Protein Sci., 3, 1994
1GFZ
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BU of 1gfz by Molmil
FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE
分子名称: CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ...
著者Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N.
登録日2000-06-29
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
2VVQ
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BU of 2vvq by Molmil
Crystal structure of Mycobacterium tuberculosis ribose-5-phosphate isomerase B in complex with the inhibitor 5-deoxy-5-phospho-D- ribonate
分子名称: 5-O-phosphono-D-ribonic acid, RIBOSE-5-PHOSPHATE ISOMERASE B, SULFATE ION
著者Kowalinski, E, Roos, A.K, Mariano, S, Salmon, L, Mowbray, S.L.
登録日2008-06-10
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D-Ribose-5-Phosphate Isomerase B from Escherichia Coli is Also a Functional D-Allose-6-Phosphate Isomerase, While the Mycobacterium Tuberculosis Enzyme is not.
J.Mol.Biol., 382, 2008
1GES
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BU of 1ges by Molmil
ANATOMY OF AN ENGINEERED NAD-BINDING SITE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Mittl, P.R.E, Schulz, G.E.
登録日1994-01-18
公開日1994-11-01
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Anatomy of an engineered NAD-binding site.
Protein Sci., 3, 1994
5YXC
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BU of 5yxc by Molmil
Crystal structure of Zinc binding protein ZinT in complex with citrate from E. coli
分子名称: CITRIC ACID, Metal-binding protein ZinT, ZINC ION
著者Chen, J, Wang, L, Shang, F, Xu, Y.
登録日2017-12-04
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Crystal structure of E. coli ZinT with one zinc-binding mode and complexed with citrate
Biochem. Biophys. Res. Commun., 500, 2018
6GMO
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BU of 6gmo by Molmil
Plant glutamate cysteine ligase (GCL) in complex with non-reducing GSH (GSM)
分子名称: ACETATE ION, GLYCEROL, Glutamate--cysteine ligase, ...
著者Lenherr, E.D.
登録日2018-05-27
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Plant glutathione biosynthesis revisited: redox-mediated activation of glutamylcysteine ligase does not require homo-dimerization.
Biochem.J., 476, 2019
4N56
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BU of 4n56 by Molmil
Binary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA
分子名称: 5'-D(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3', DNA polymerase I, ...
著者Wu, E.Y.
登録日2013-10-09
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4N5S
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BU of 4n5s by Molmil
Ternary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA and ddCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', ...
著者Wu, E.Y.
登録日2013-10-10
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
1I7X
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BETA-CATENIN/E-CADHERIN COMPLEX
分子名称: BETA-CATENIN, EPITHELIAL-CADHERIN
著者Huber, A.H, Weis, W.I.
登録日2001-03-10
公開日2001-05-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of the beta-catenin/E-cadherin complex and the molecular basis of diverse ligand recognition by beta-catenin.
Cell(Cambridge,Mass.), 105, 2001

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