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3GFE
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BU of 3gfe by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
著者Mohr, C, Jordan, S.
登録日2009-02-26
公開日2009-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 19, 2009
1BXD
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BU of 1bxd by Molmil
NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ))
著者Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M.
登録日1998-10-02
公開日1999-10-02
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
1BTW
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BU of 1btw by Molmil
Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface
分子名称: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide
著者Stroud, R.M, Katz, B.A, Finer-Moore, J.
登録日1995-05-17
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
3DTX
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BU of 3dtx by Molmil
Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
分子名称: Beta-2-microglobulin, Double citrullinated vasoactive intestinal polypeptide receptor, MHC class I antigen (Fragment)
著者Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W.
登録日2008-07-16
公開日2009-05-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide
To be Published
4NLU
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BU of 4nlu by Molmil
Poliovirus Polymerase - G289A Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
2O6R
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BU of 2o6r by Molmil
Structural diversity of the hagfish Variable Lymphocyte Receptors B61
分子名称: Variable lymphocyte receptor B
著者Lee, J.O, Kim, H.M, Oh, S.C.
登録日2006-12-08
公開日2006-12-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural diversity of the hagfish variable lymphocyte receptors
J.Biol.Chem., 282, 2007
4NLS
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BU of 4nls by Molmil
Poliovirus Polymerase - S288A Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4NLQ
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BU of 4nlq by Molmil
Poliovirus Polymerase - C290F Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
1IN2
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BU of 1in2 by Molmil
Peptide Antagonist of IGFBP1, (i,i+7) Covalently Restrained Analog
分子名称: IGFBP-1 antagonist, PENTANE
著者Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B.
登録日2001-05-11
公開日2001-05-30
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
3IYR
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BU of 3iyr by Molmil
tmRNA-SmpB: a journey to the center of the bacterial ribosome
分子名称: SsrA-binding protein, tmRNA
著者Weis, F, Bron, P, Giudice, E, Rolland, J.P, Thomas, D, Felden, B, Gillet, R.
登録日2010-04-16
公開日2010-10-20
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (13 Å)
主引用文献tmRNA-SmpB: a journey to the centre of the bacterial ribosome.
Embo J., 29, 2010
3GE8
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BU of 3ge8 by Molmil
Toluene 4-monooxygenase HD T201A diferric, resting state complex
分子名称: ACETATE ION, FE (III) ION, Toluene-4-monooxygenase system protein A, ...
著者Elsen, N.L, Bailey, L.J, Hauser, A.D, Fox, B.G.
登録日2009-02-25
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Role for threonine 201 in the catalytic cycle of the soluble diiron hydroxylase toluene 4-monooxygenase.
Biochemistry, 48, 2009
1K1C
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BU of 1k1c by Molmil
Solution Structure of Crh, the Bacillus subtilis Catabolite Repression HPr
分子名称: catabolite repression HPr-like protein
著者Favier, A, Brutscher, B, Blackledge, M, Galinier, A, Deutscher, J, Penin, F, Marion, D.
登録日2001-09-25
公開日2001-10-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of Crh, the Bacillus subtilis catabolite repression HPr.
J.Mol.Biol., 317, 2002
2F1R
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BU of 2f1r by Molmil
Crystal Structure of molybdopterin-guanine biosynthesis protein B (mobB)
分子名称: CHLORIDE ION, PRASEODYMIUM ION, molybdopterin-guanine dinucleotide biosynthesis protein B (mobB)
著者Damodharan, L, Eswaramoorthy, S, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2005-11-15
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of molybdopterin-guanine dinucleotide biosynthesis protein B (mobB)
To be Published
1AGS
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BU of 1ags by Molmil
A SURFACE MUTANT (G82R) OF A HUMAN ALPHA-GLUTATHIONE S-TRANSFERASE SHOWS DECREASED THERMAL STABILITY AND A NEW MODE OF MOLECULAR ASSOCIATION IN THE CRYSTAL
分子名称: GLUTATHIONE S-TRANSFERASE ALPHA, S-HEXYLGLUTATHIONE
著者Zeng, K, Rose, J.P, Wang, B.C.
登録日1995-01-23
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A surface mutant (G82R) of a human alpha-glutathione S-transferase shows decreased thermal stability and a new mode of molecular association in the crystal.
Proteins, 20, 1994
2EWY
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BU of 2ewy by Molmil
Crystal structure of human BACE2 in complex with a hydroxyethylenamine transition-state inhibitor
分子名称: Beta-secretase 2, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
著者Ostermann, N.
登録日2005-11-07
公開日2006-11-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human BACE2 in complex with a hydroxyethylamine transition state inhibitor
J.Mol.Biol., 355, 2006
4NLV
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BU of 4nlv by Molmil
Poliovirus Polymerase - G289A/C290F Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4QTH
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BU of 4qth by Molmil
Crystal structure of anti-uPAR Fab 8B12
分子名称: anti-uPAR antibody, heavy chain, light chain
著者Zhao, B, Yuan, C, Luo, Z, Huang, M.
登録日2014-07-08
公開日2015-02-25
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
4NLW
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BU of 4nlw by Molmil
Poliovirus Polymerase - G289A/C290I Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4NLY
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BU of 4nly by Molmil
Poliovirus Polymerase - C290E Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4NLR
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BU of 4nlr by Molmil
Poliovirus Polymerase - C290S Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4NLO
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BU of 4nlo by Molmil
Poliovirus Polymerase - C290I Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
1JNV
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BU of 1jnv by Molmil
The Conformation of the Epsilon and Gamma Subunits within the E. coli F1 ATPase
分子名称: ATP SYNTHASE ALPHA CHAIN, ATP SYNTHASE BETA CHAIN, ATP SYNTHASE EPSILON CHAIN, ...
著者Hausrath, A.C, Capaldi, R.A, Matthews, B.W.
登録日2001-07-25
公開日2001-12-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献The conformation of the epsilon- and gamma-subunits within the Escherichia coli F(1) ATPase.
J.Biol.Chem., 276, 2001
1AXR
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BU of 1axr by Molmil
COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B
分子名称: 4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM, GLYCOGEN PHOSPHORYLASE, PHOSPHATE ION, ...
著者Oikonomakos, N.G, Heightman, T.D.
登録日1997-10-20
公開日1998-01-28
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cooperative interactions of the catalytic nucleophile and the catalytic acid in the inhibition of beta-glycosidases. Calculations and their validation by comparative kinetic and structural studies of the inhibition of glycogen phosphorylase b.
HELV.CHIM.ACTA, 81, 1998
5S4J
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BU of 5s4j by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054
分子名称: 6-chlorotetrazolo[1,5-b]pyridazine, Non-structural protein 3
著者Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
登録日2020-11-02
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.124 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
1B9Z
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BU of 1b9z by Molmil
BACILLUS CEREUS BETA-AMYLASE COMPLEXED WITH MALTOSE
分子名称: ACETATE ION, CALCIUM ION, PROTEIN (BETA-AMYLASE), ...
著者Mikami, B, Adachi, M, Kage, T, Sarikaya, E, Nanmori, T, Shinke, R, Utsumi, S.
登録日1999-03-06
公開日1999-03-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of raw starch-digesting Bacillus cereus beta-amylase complexed with maltose.
Biochemistry, 38, 1999

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