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2AB6
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BU of 2ab6 by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18) complexed with S-METHYLGLUTATHIONE
分子名称: Glutathione S-transferase Mu 2, L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE
著者Patskovsky, Y, Almo, S.C, Listowsky, I.
登録日2005-07-14
公開日2005-08-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Perturbations in the Active Site of Human Glutathione-S-Transferase M2-2 Upon Ligand Binding
To be Published
1PME
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BU of 1pme by Molmil
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
著者Xie, X.
登録日1998-06-08
公開日1999-06-08
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
2NYA
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BU of 2nya by Molmil
Crystal structure of the periplasmic nitrate reductase (NAP) from Escherichia coli
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM(VI) ION, ...
著者Jepson, B.J.N, Richardson, D.J, Hemmings, A.M.
登録日2006-11-20
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Spectropotentiometric and structural analysis of the periplasmic nitrate reductase from Escherichia coli
J.Biol.Chem., 282, 2007
2BE0
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BU of 2be0 by Molmil
Complex Between Paromomycin Derivative JS5-39 and the 16S-Rrna A-Site.
分子名称: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Francois, B, Westhof, E.
登録日2005-10-21
公開日2005-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004
2BEE
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Complex Between Paromomycin derivative JS4 and the 16S-Rrna A Site
分子名称: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-( HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Francois, B, Westhof, E.
登録日2005-10-24
公開日2005-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004
1A0K
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BU of 1a0k by Molmil
PROFILIN I FROM ARABIDOPSIS THALIANA
分子名称: PROFILIN
著者Shigeta Junior, R, Huddler, D, Lindberg, U, Schutt, C.E.
登録日1997-12-02
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of a major allergen from plants.
Structure, 5, 1997
5QCS
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BU of 5qcs by Molmil
Crystal structure of BACE complex with BMC024
分子名称: (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1OKK
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HOMO-HETERODIMERIC COMPLEX OF THE SRP GTPASES
分子名称: 1,2-ETHANEDIOL, CELL DIVISION PROTEIN FTSY, MAGNESIUM ION, ...
著者Focia, P.J, Freymann, D.M.
登録日2003-07-26
公開日2004-01-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Heterodimeric Gtpase Core of the Srp Targeting Complex
Science, 303, 2004
2ABK
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BU of 2abk by Molmil
REFINEMENT OF THE NATIVE STRUCTURE OF ENDONUCLEASE III TO A RESOLUTION OF 1.85 ANGSTROM
分子名称: ENDONUCLEASE III, IRON/SULFUR CLUSTER
著者Thayer, M.M, Tainer, J.A.
登録日1995-05-11
公開日1995-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel DNA binding motifs in the DNA repair enzyme endonuclease III crystal structure.
EMBO J., 14, 1995
5QD4
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BU of 5qd4 by Molmil
Crystal structure of BACE complex with BMC023
分子名称: Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
3VZE
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BU of 3vze by Molmil
Crystal structure of human pancreatic secretory protein ZG16p with alpha1,3-mannobiose
分子名称: CHLORIDE ION, Zymogen granule membrane protein 16, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose
著者Kanagawa, M, Yamaguchi, Y.
登録日2012-10-11
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Multiple Sugar Recognition of Jacalin-related Human ZG16p Lectin
J.Biol.Chem., 289, 2014
3V00
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Studies of a constitutively active G-alpha subunit provide insights into the mechanism of G protein activation.
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(t) subunit alpha-1/ Guanine nucleotide-binding protein G(i) subunit alpha-1 chimeric protein
著者Singh, G, Cerione, R.A.
登録日2011-12-07
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A constitutively active G-alpha subunit provide insights into the mechanism of G protein activation
Biochemistry, 51, 2012
3VY6
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Crystal structure of human pancreatic secretory protein ZG16p with laminaribiose
分子名称: CHLORIDE ION, Zymogen granule membrane protein 16, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Kanagawa, M, Yamaguchi, Y.
登録日2012-09-21
公開日2013-09-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Multiple Sugar Recognition of Jacalin-related Human ZG16p Lectin
J.Biol.Chem., 289, 2014
4KS2
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BU of 4ks2 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS4
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS3
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS5
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Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4LRJ
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Bacterial Effector NleH1 Kinase Domain with AMPPNP and Mg2+
分子名称: Effector NleH1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2013-07-19
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
3TIX
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BU of 3tix by Molmil
Crystal structure of the Chp1-Tas3 complex core
分子名称: CHLORIDE ION, Chromo domain-containing protein 1, POTASSIUM ION, ...
著者Schalch, T, Joshua-Tor, L.
登録日2011-08-22
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9001 Å)
主引用文献The Chp1-Tas3 core is a multifunctional platform critical for gene silencing by RITS.
Nat.Struct.Mol.Biol., 18, 2011
4LRK
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Bacterial Effector NleH2 Kinase Domain
分子名称: Effector NleH2
著者Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2013-07-19
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.274 Å)
主引用文献NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
4KS1
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Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
3U3D
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Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
分子名称: GLYCEROL, Transcriptional regulatory protein sir2 homologue, ZINC ION, ...
著者Zhou, Y, Hao, Q.
登録日2011-10-05
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
3WOG
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Crystal structure plant lectin in complex with ligand
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, ...
著者Nagae, M, Yamaguchi, Y.
登録日2013-12-26
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Glycobiology, 24, 2014
3WCR
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Crystal structure of plant lectin (ligand-free form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Erythroagglutinin
著者Nagae, M, Yamaguchi, Y.
登録日2013-05-31
公開日2014-04-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Glycobiology, 24, 2014
3U31
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Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ...
著者Zhou, Y, Hao, Q.
登録日2011-10-04
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011

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