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3DK5
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BU of 3dk5 by Molmil
Crystal Structure of Apo-GlmU from Mycobacterium tuberculosis
分子名称: Bifunctional protein glmU, MAGNESIUM ION
著者Verma, S.K, Prakash, B.
登録日2008-06-24
公開日2009-05-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献PknB-mediated phosphorylation of a novel substrate, N-acetylglucosamine-1-phosphate uridyltransferase, modulates its acetyltransferase activity.
J.Mol.Biol., 386, 2009
3NDW
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BU of 3ndw by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:15 complex structure
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Protease, ...
著者Geremia, S, Olajuyigbe, F.M, Demitri, N.
登録日2010-06-08
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3LPP
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BU of 3lpp by Molmil
Crystal complex of N-terminal sucrase-isomaltase with kotalanol
分子名称: (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sim, L, Rose, D.R.
登録日2010-02-05
公開日2010-03-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains.
J.Biol.Chem., 285, 2010
2HT8
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BU of 2ht8 by Molmil
N8 neuraminidase in complex with oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase
著者Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J.
登録日2006-07-25
公開日2006-09-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
1U1I
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BU of 1u1i by Molmil
Myo-inositol phosphate synthase mIPS from A. fulgidus
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, POTASSIUM ION, ...
著者Stieglitz, K.A, Yang, H, Roberts, M.F, Stec, B.
登録日2004-07-15
公開日2004-08-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reaching for Mechanistic Consensus Across Life Kingdoms: Structure and Insights into Catalysis of the myo-Inositol-1-phosphate Synthase (mIPS) from Archaeoglobus fulgidus
Biochemistry, 44, 2005
3I2H
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BU of 3i2h by Molmil
Cocaine Esterase with mutation L169K, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
3N8I
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BU of 3n8i by Molmil
Crystal structure of the A isoform of human cytoplasmic protein tyrosine phosphatase (HCPTP-A) in complex with 1-naphtylacetic acid
分子名称: Low molecular weight phosphotyrosine protein phosphatase, NAPHTHALEN-1-YL-ACETIC ACID
著者Homan, K.T, Balasubramaniam, D, Stauffacher, C.V.
登録日2010-05-28
公開日2011-12-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Characterization of a Secondary Binding Site on Low Molecular Weight Protein Tyrosine Phosphatases
To be Published
3NF1
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BU of 3nf1 by Molmil
Crystal structure of the TPR domain of kinesin light chain 1
分子名称: Kinesin light chain 1
著者Tong, Y, Tempel, W, Shen, L, Shen, Y, Nedyalkova, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2010-06-09
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the TPR domain of kinesin light chain 1
to be published
6F7K
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BU of 6f7k by Molmil
Crystal structure of Dettilon tailspike protein (gp208)
分子名称: 1,2-ETHANEDIOL, Tailspike, alpha-D-galactopyranose-(1-6)-beta-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose, ...
著者Roske, Y, Heinemann, U.
登録日2017-12-11
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail.
J.Biol.Chem., 294, 2019
1B0M
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BU of 1b0m by Molmil
ACONITASE R644Q:FLUOROCITRATE COMPLEX
分子名称: CITRATE ANION, IRON/SULFUR CLUSTER, PROTEIN (ACONITASE)
著者Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D.
登録日1998-11-11
公開日1998-11-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
5QK3
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BU of 5qk3 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z239136710
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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
4OPY
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BU of 4opy by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
分子名称: CALCIUM ION, Extended spectrum beta-lactamase TEM-63, SULFATE ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-07
公開日2015-05-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
1XIF
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BU of 1xif by Molmil
MODES OF BINDING SUBSTRATES AND THEIR ANALOGUES TO THE ENZYME D-XYLOSE ISOMERASE
分子名称: D-XYLOSE ISOMERASE, MANGANESE (II) ION, alpha-D-glucopyranose
著者Carrell, H.L, Glusker, J.P.
登録日1994-03-07
公開日1994-06-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Modes of binding substrates and their analogues to the enzyme D-xylose isomerase.
Acta Crystallogr.,Sect.D, 50, 1994
4H1E
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BU of 4h1e by Molmil
Structure of BACE-1 Bound to (7aR)-6-benzoyl-7a-(4-(3-cyanophenyl)thiophen-2-yl)-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-2(3H)-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1
著者Orth, P.
登録日2012-09-10
公開日2012-10-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H48
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BU of 4h48 by Molmil
1.45 angstrom CyPet Structure at pH7.0
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein
著者Hu, X.-J, Liu, R.
登録日2012-09-17
公開日2013-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure insight of the fluorescent state of CyPet
To be Published
3NNA
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BU of 3nna by Molmil
Crystal Structure of CUGBP1 RRM1/2-RNA Complex
分子名称: CUGBP Elav-like family member 1, RNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3')
著者Teplova, M, Song, J, Gaw, H, Teplov, A, Patel, D.J.
登録日2010-06-23
公開日2010-10-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Structural Insights into RNA Recognition by the Alternate-Splicing Regulator CUG-Binding Protein 1.
Structure, 18, 2010
1BA4
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BU of 1ba4 by Molmil
THE SOLUTION STRUCTURE OF AMYLOID BETA-PEPTIDE (1-40) IN A WATER-MICELLE ENVIRONMENT. IS THE MEMBRANE-SPANNING DOMAIN WHERE WE THINK IT IS? NMR, 10 STRUCTURES
分子名称: AMYLOID BETA-PEPTIDE
著者Coles, M, Bicknell, W, Watson, A.A, Fairlie, D.P, Craik, D.J.
登録日1998-04-07
公開日1998-06-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of amyloid beta-peptide(1-40) in a water-micelle environment. Is the membrane-spanning domain where we think it is?
Biochemistry, 37, 1998
4A0P
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BU of 4a0p by Molmil
Crystal structure of LRP6P3E3P4E4
分子名称: 1,2-ETHANEDIOL, 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Chen, S, Malinauskas, T, Aricescu, A.R, Siebold, C, Jones, E.Y.
登録日2011-09-11
公開日2011-10-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Studies of Lrp6 Ectodomain Reveal a Platform for Wnt Signaling.
Dev.Cell, 21, 2011
4OWN
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BU of 4own by Molmil
Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 5-fluoroanthranilate, PRPP and Magnesium
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-5-fluorobenzoic acid, Anthranilate phosphoribosyltransferase, ...
著者Castell, A, Cookson, T.V.M, Short, F.L, Lott, J.S.
登録日2014-02-02
公開日2014-04-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
7E2E
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BU of 7e2e by Molmil
Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide
分子名称: 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone, IODIDE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
著者Ito, S, Shinozuka, T, Kimura, T, Izumi, M, Wakabayashi, K.
登録日2021-02-05
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of a Novel Class of ERR alpha Agonists.
Acs Med.Chem.Lett., 12, 2021
3N9W
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BU of 3n9w by Molmil
Crystal structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD) in complex with 1,2-Propanediol
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, R-1,2-PROPANEDIOL, S-1,2-PROPANEDIOL
著者Behnen, J, Heine, A, Klebe, G.
登録日2010-05-31
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
1O5X
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BU of 1o5x by Molmil
Plasmodium falciparum TIM complexed to 2-phosphoglycerate
分子名称: 2-PHOSPHOGLYCERIC ACID, 3-HYDROXYPYRUVIC ACID, PHOSPHITE ION, ...
著者Parthasarathy, S, Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R.
登録日2003-10-06
公開日2004-01-13
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of Plasmodium falciparum Triose-phosphate Isomerase-2-Phosphoglycerate Complex at 1.1-A Resolution
J.Biol.Chem., 278, 2003
5A8P
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BU of 5a8p by Molmil
Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide B
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
登録日2015-07-16
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
6HHQ
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BU of 6hhq by Molmil
Crystal structure of compound C45 bound to the yeast 80S ribosome
分子名称: (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione, 18S ribosomal RNA, 25S ribosomal RNA, ...
著者Pellegrino, S, Vanderwal, C.D, Yusupov, M.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.10000038 Å)
主引用文献Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosome.
Nucleic Acids Res., 47, 2019

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