6YPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yps by Molmil](/molmil-images/mine/6yps) | Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine | Descriptor: | 4-oxidanylbenzenecarboximidamide, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2020-04-16 | Release date: | 2020-12-09 | Last modified: | 2020-12-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h2r by Molmil](/molmil-images/mine/2h2r) | Crystal structure of the human CD23 Lectin domain, apo form | Descriptor: | Low affinity immunoglobulin epsilon Fc receptor (Lymphocyte IgE receptor) (Fc-epsilon-RII)(Immunoglobulin E-binding factor) (CD23 antigen) | Authors: | Wurzburg, B.A. | Deposit date: | 2006-05-19 | Release date: | 2006-06-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Changes in the Lectin Domain of CD23, the Low-Affinity IgE Receptor, upon Calcium Binding. Structure, 14, 2006
|
|
2LD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ld5 by Molmil](/molmil-images/mine/2ld5) | |
2LA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2la6 by Molmil](/molmil-images/mine/2la6) | Solution NMR Structure of RRM domain of RNA-binding protein FUS from homo sapiens, Northeast Structural Genomics Consortium Target HR6430A | Descriptor: | RNA-binding protein FUS | Authors: | 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) | Deposit date: | 2011-03-04 | Release date: | 2011-05-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target HR6430A To be Published
|
|
2H53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h53 by Molmil](/molmil-images/mine/2h53) | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein Hsp26 | Descriptor: | small heat shock protein Hsp26 | Authors: | 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. | Deposit date: | 2006-05-25 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (11.5 Å) | Cite: | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein hsp26 Structure, 14, 2006
|
|
6Y6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y6h by Molmil](/molmil-images/mine/6y6h) | Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-26 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
|
|
2LH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lh1 by Molmil](/molmil-images/mine/2lh1) | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | Descriptor: | ACETATE ION, LEGHEMOGLOBIN (ACETO MET), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | Deposit date: | 1982-04-23 | Release date: | 1983-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian) Kristallografiya, 25, 1980
|
|
2LH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lh5 by Molmil](/molmil-images/mine/2lh5) | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | Descriptor: | FLUORIDE ION, LEGHEMOGLOBIN (FLUORO MET), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | Deposit date: | 1982-04-23 | Release date: | 1983-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian) Kristallografiya, 25, 1980
|
|
2H6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h6y by Molmil](/molmil-images/mine/2h6y) | |
2LHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lhb by Molmil](/molmil-images/mine/2lhb) | |
2H8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h8i by Molmil](/molmil-images/mine/2h8i) | |
2GYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gyz by Molmil](/molmil-images/mine/2gyz) | Crystal structure of human artemin | Descriptor: | neurotrophic factor artemin isoform 3 | Authors: | Wang, X.Q, Garcia, K.C. | Deposit date: | 2006-05-10 | Release date: | 2006-06-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure of Artemin Complexed with Its Receptor GFRalpha3: Convergent Recognition of Glial Cell Line-Derived Neurotrophic Factors. Structure, 14, 2006
|
|
6Y82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y82 by Molmil](/molmil-images/mine/6y82) | Fragment KCL_804 in complex with MAP kinase p38-alpha | Descriptor: | (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, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Fragment KCL_804 in complex with MAP kinase p38-alpha To Be Published
|
|
6Y8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y8h by Molmil](/molmil-images/mine/6y8h) | |
2LEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lec by Molmil](/molmil-images/mine/2lec) | Solution structure of human SRSF2 (SC35) RRM in complex with 5'-UGGAGU-3' | Descriptor: | RNA (5'-R(*UP*GP*GP*AP*GP*U)-3'), Serine/arginine-rich splicing factor 2 | Authors: | Daubner, G.M, Clery, A, Jayne, S, Stevenin, J, Allain, F.H.-T. | Deposit date: | 2011-06-15 | Release date: | 2011-11-23 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | A syn-anti conformational difference allows SRSF2 to recognize guanines and cytosines equally well. Embo J., 31, 2012
|
|
2HB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hb5 by Molmil](/molmil-images/mine/2hb5) | Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain | Descriptor: | MAGNESIUM ION, Reverse transcriptase/ribonuclease H, SULFATE ION | Authors: | Lim, D, Gregorio, G.G, Bingman, C.A, Martinez-Hackert, E, Hendrickson, W.A, Goff, S.P. | Deposit date: | 2006-06-13 | Release date: | 2006-08-29 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain. J.Virol., 80, 2006
|
|
2LA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2la4 by Molmil](/molmil-images/mine/2la4) | NMR structure of the C-terminal RRM domain of poly(U) binding 1 | Descriptor: | Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1 | Authors: | Santiveri, C.M, Mirassou, Y, Rico-Lastres, P, Martinez-Lumbreras, S, Perez-Canadillas, J.M. | Deposit date: | 2011-03-01 | Release date: | 2011-09-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Pub1p C-terminal RRM domain interacts with Tif4631p through a conserved region neighbouring the Pab1p binding site Plos One, 6, 2011
|
|
6Y4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y4w by Molmil](/molmil-images/mine/6y4w) | Crystal structure of p38 in complex with SR69 | Descriptor: | 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 | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
|
|
6YCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ycw by Molmil](/molmil-images/mine/6ycw) | Fragment KCL_K767 in complex with MAP kinase p38-alpha | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, Mitogen-activated protein kinase 14, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hdv by Molmil](/molmil-images/mine/2hdv) | |
2H34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h34 by Molmil](/molmil-images/mine/2h34) | Apoenzyme crystal structure of the tuberculosis serine/threonine kinase, PknE | Descriptor: | BROMIDE ION, SODIUM ION, Serine/threonine-protein kinase pknE | Authors: | Gay, L.M, Ng, H.L, Alber, T. | Deposit date: | 2006-05-22 | Release date: | 2006-07-18 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
|
|
2LJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ljh by Molmil](/molmil-images/mine/2ljh) | |
2HDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hdx by Molmil](/molmil-images/mine/2hdx) | |
2HEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hee by Molmil](/molmil-images/mine/2hee) | CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K. | Deposit date: | 1997-09-16 | Release date: | 1998-01-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of water molecules in the interior of a protein to the conformational stability. J.Mol.Biol., 274, 1997
|
|
2LKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lkd by Molmil](/molmil-images/mine/2lkd) | IF2-G2 GDP complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Translation initiation factor IF-2 | Authors: | Wienk, H, Tishchenko, E, Belardinelli, R, Tomaselli, S, Dongre, R, Spurio, R, Folkers, G.E, Gualerzi, C.O, Boelens, R. | Deposit date: | 2011-10-10 | Release date: | 2012-02-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Dynamics of Bacterial Translation Initiation Factor IF2. J.Biol.Chem., 287, 2012
|
|