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6YPS
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BU of 6yps by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine
分子名称: 4-oxidanylbenzenecarboximidamide, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha
著者Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
登録日2020-04-16
公開日2020-12-09
最終更新日2020-12-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
2H2R
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BU of 2h2r by Molmil
Crystal structure of the human CD23 Lectin domain, apo form
分子名称: Low affinity immunoglobulin epsilon Fc receptor (Lymphocyte IgE receptor) (Fc-epsilon-RII)(Immunoglobulin E-binding factor) (CD23 antigen)
著者Wurzburg, B.A.
登録日2006-05-19
公開日2006-06-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Changes in the Lectin Domain of CD23, the Low-Affinity IgE Receptor, upon Calcium Binding.
Structure, 14, 2006
2LD5
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BU of 2ld5 by Molmil
Solution NMR-derived complex structure of Hoxa13 DNA binding domain bound to DNA
分子名称: DNA (5'-D(*CP*AP*AP*AP*TP*AP*AP*AP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*TP*TP*TP*AP*TP*TP*TP*G)-3'), Homeobox protein Hox-A13
著者Zhang, Y.
登録日2011-05-14
公開日2011-08-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for sequence specific DNA binding and protein dimerization of HOXA13.
Plos One, 6, 2011
2LA6
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BU of 2la6 by Molmil
Solution NMR Structure of RRM domain of RNA-binding protein FUS from homo sapiens, Northeast Structural Genomics Consortium Target HR6430A
分子名称: RNA-binding protein FUS
著者Liu, G, Xiao, R, Janjua, H, Ciccosanti, C, Wang, H, Lee, H, Acton, T.B, Everett, J.K, Huang, Y.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-03-04
公開日2011-05-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target HR6430A
To be Published
2LH1
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BU of 2lh1 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
分子名称: ACETATE ION, LEGHEMOGLOBIN (ACETO MET), PROTOPORPHYRIN IX CONTAINING FE
著者Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
登録日1982-04-23
公開日1983-01-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
2H53
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BU of 2h53 by Molmil
Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein Hsp26
分子名称: small heat shock protein Hsp26
著者White, H.E, Orlova, E.V, Chen, S, Wang, L, Ignatiou, A, Gowen, B, Stromer, T, Franzmann, T.M, Haslbeck, M, Buchner, J, Saibil, H.R.
登録日2006-05-25
公開日2006-08-01
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (11.5 Å)
主引用文献Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein hsp26
Structure, 14, 2006
6Y6H
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BU of 6y6h by Molmil
Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe
分子名称: 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-26
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
2LH5
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X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
分子名称: FLUORIDE ION, LEGHEMOGLOBIN (FLUORO MET), PROTOPORPHYRIN IX CONTAINING FE
著者Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
登録日1982-04-23
公開日1983-01-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
2H6Y
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BU of 2h6y by Molmil
Crystal Structure of Thioredoxin Mutant E48D in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Thioredoxin Mutant E48D in Hexagonal (p61) Space Group
To be Published
2LHB
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BU of 2lhb by Molmil
REFINEMENT OF A MOLECULAR MODEL FOR LAMPREY HEMOGLOBIN FROM PETROMYZON MARINUS
分子名称: CYANIDE ION, HEMOGLOBIN V (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE
著者Honzatko, R.B, Hendrickson, W.A, Love, W.E.
登録日1985-08-16
公開日1986-01-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refinement of a molecular model for lamprey hemoglobin from Petromyzon marinus.
J.Mol.Biol., 184, 1985
2H8I
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BU of 2h8i by Molmil
Crystal Structure of the Bothropstoxin-I complexed with polyethylene glycol
分子名称: DI(HYDROXYETHYL)ETHER, Phospholipase A2 homolog 1
著者Murakami, M.T, Arni, R.K.
登録日2006-06-07
公開日2007-06-19
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interfacial surface charge and free accessibility to the PLA2-active site-like region are essential requirements for the activity of Lys49 PLA2 homologues
Toxicon, 49, 2007
2GYZ
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BU of 2gyz by Molmil
Crystal structure of human artemin
分子名称: neurotrophic factor artemin isoform 3
著者Wang, X.Q, Garcia, K.C.
登録日2006-05-10
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of Artemin Complexed with Its Receptor GFRalpha3: Convergent Recognition of Glial Cell Line-Derived Neurotrophic Factors.
Structure, 14, 2006
6Y82
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Fragment KCL_804 in complex with MAP kinase p38-alpha
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Fragment KCL_804 in complex with MAP kinase p38-alpha
To Be Published
6Y8H
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Novel p38-alpha crystal lattice with highly exposed p38/TAB1 non-canonical PPI surface.
分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, CHLORIDE ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-05
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Novel p38-alpha crystal lattice with highly exposed p38/TAB1 non-canonical PPI surface.
To Be Published
2LEC
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BU of 2lec by Molmil
Solution structure of human SRSF2 (SC35) RRM in complex with 5'-UGGAGU-3'
分子名称: RNA (5'-R(*UP*GP*GP*AP*GP*U)-3'), Serine/arginine-rich splicing factor 2
著者Daubner, G.M, Clery, A, Jayne, S, Stevenin, J, Allain, F.H.-T.
登録日2011-06-15
公開日2011-11-23
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献A syn-anti conformational difference allows SRSF2 to recognize guanines and cytosines equally well.
Embo J., 31, 2012
2HB5
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BU of 2hb5 by Molmil
Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain
分子名称: MAGNESIUM ION, Reverse transcriptase/ribonuclease H, SULFATE ION
著者Lim, D, Gregorio, G.G, Bingman, C.A, Martinez-Hackert, E, Hendrickson, W.A, Goff, S.P.
登録日2006-06-13
公開日2006-08-29
最終更新日2023-03-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain.
J.Virol., 80, 2006
2LA4
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BU of 2la4 by Molmil
NMR structure of the C-terminal RRM domain of poly(U) binding 1
分子名称: Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1
著者Santiveri, C.M, Mirassou, Y, Rico-Lastres, P, Martinez-Lumbreras, S, Perez-Canadillas, J.M.
登録日2011-03-01
公開日2011-09-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Pub1p C-terminal RRM domain interacts with Tif4631p through a conserved region neighbouring the Pab1p binding site
Plos One, 6, 2011
6Y4W
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Crystal structure of p38 in complex with SR69
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6YCW
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Fragment KCL_K767 in complex with MAP kinase p38-alpha
分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, Mitogen-activated protein kinase 14, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-19
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
2HDV
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BU of 2hdv by Molmil
Crystal structure of the Src Homology-2 domain of the adapter protein SH2-B
分子名称: SH2-B PH domain containing signaling mediator 1 gamma isoform
著者Hu, J, Hubbard, S.R.
登録日2006-06-20
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Phosphotyrosine Recognition by the Src Homology-2 Domains of the Adapter Proteins SH2-B and APS.
J.Mol.Biol., 361, 2006
2LJH
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BU of 2ljh by Molmil
NMR structure of Double-stranded RNA-specific editase Adar
分子名称: Double-stranded RNA-specific editase Adar
著者Barraud, P, Allain, F.H.-T.
登録日2011-09-13
公開日2012-01-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal dsRBD of Drosophila ADAR and interaction studies with RNA.
Biochimie, 94, 2012
2H34
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Apoenzyme crystal structure of the tuberculosis serine/threonine kinase, PknE
分子名称: BROMIDE ION, SODIUM ION, Serine/threonine-protein kinase pknE
著者Gay, L.M, Ng, H.L, Alber, T.
登録日2006-05-22
公開日2006-07-18
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Conserved Dimer and Global Conformational Changes in the Structure of apo-PknE Ser/Thr Protein Kinase from Mycobacterium tuberculosis.
J.Mol.Biol., 360, 2006
2HDX
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Crystal structure of the Src homology-2 domain of SH2-B in complex with Jak2 pTyr813 phosphopeptide
分子名称: Jak2 protein, SH2-B PH domain containing signaling mediator 1 gamma isoform
著者Hu, J, Hubbard, S.R.
登録日2006-06-21
公開日2006-08-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for Phosphotyrosine Recognition by the Src Homology-2 Domains of the Adapter Proteins SH2-B and APS.
J.Mol.Biol., 361, 2006
2HEE
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CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY
分子名称: LYSOZYME, SODIUM ION
著者Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K.
登録日1997-09-16
公開日1998-01-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of water molecules in the interior of a protein to the conformational stability.
J.Mol.Biol., 274, 1997
2LKD
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IF2-G2 GDP complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, Translation initiation factor IF-2
著者Wienk, H, Tishchenko, E, Belardinelli, R, Tomaselli, S, Dongre, R, Spurio, R, Folkers, G.E, Gualerzi, C.O, Boelens, R.
登録日2011-10-10
公開日2012-02-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Dynamics of Bacterial Translation Initiation Factor IF2.
J.Biol.Chem., 287, 2012

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