6FSZ
| Structure of the nuclear RNA exosome | Descriptor: | ATP-dependent RNA helicase DOB1, Exosome complex component CSL4, Exosome complex component MTR3, ... | Authors: | Schuller, J.M, Falk, S, Conti, E. | Deposit date: | 2018-02-20 | Release date: | 2018-03-21 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the nuclear exosome captured on a maturing preribosome. Science, 360, 2018
|
|
6DCA
| |
5LVP
| Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
|
|
5TN9
| Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Descriptor: | 4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor | Authors: | Nwachukwu, J.C, Sharma, N, Carlson, K.E, Srinivasan, S, Sharma, A, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands. ACS Chem. Biol., 12, 2017
|
|
5TNB
| Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Descriptor: | 4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor | Authors: | Nwachukwu, J.C, Sharma, N, Carlson, K.E, Srinivasan, S, Sharma, A, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands. ACS Chem. Biol., 12, 2017
|
|
1P7K
| Crystal structure of an anti-ssDNA antigen-binding fragment (Fab) bound to 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schuermann, J.P, Henzl, M.T, Deutscher, S.L, Tanner, J.J. | Deposit date: | 2003-05-02 | Release date: | 2004-05-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of an anti-DNA fab complexed with a non-DNA ligand provides insights into cross-reactivity and molecular mimicry. Proteins, 57, 2004
|
|
1NK3
| VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND | Authors: | Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A. | Deposit date: | 1998-05-06 | Release date: | 1998-12-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity. Biochemistry, 36, 1997
|
|
1NK2
| VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, 20 STRUCTURES | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND | Authors: | Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A. | Deposit date: | 1998-05-06 | Release date: | 1999-02-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity. Biochemistry, 36, 1997
|
|
6DC9
| |
6DC8
| |
4A06
| Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the PIF-Pocket | Descriptor: | (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
|
|
4A07
| Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the PIF-Pocket | Descriptor: | (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
|
|
4RZ2
| |
4RZ3
| Crystal structure of the MinD-like ATPase FlhG | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Site-determining protein | Authors: | Schuhmacher, J.S, Bange, G. | Deposit date: | 2014-12-18 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5LVO
| Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | Descriptor: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
|
|
4CT1
| Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket | Descriptor: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
|
|
4CT2
| Human PDK1-PKCzeta Kinase Chimera | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ... | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
|
|
5LVN
| Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
|
|
5LVM
| Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
|
|
4AW1
| Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
|
|
5LVL
| Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
|
|
4E0T
| Crystal structure of CdpNPT in its unbound state | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclic dipeptide N-prenyltransferase, ... | Authors: | Schuller, J.M, Zocher, G, Stehle, T. | Deposit date: | 2012-03-05 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity. J.Mol.Biol., 422, 2012
|
|
3FS7
| Crystal structure of Gallus gallus beta-parvalbumin (avian thymic hormone) | Descriptor: | CALCIUM ION, GLYCEROL, Parvalbumin, ... | Authors: | Schuermann, J.P, Tanner, J.J, Henzl, M.T. | Deposit date: | 2009-01-09 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9539 Å) | Cite: | Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states. J.Mol.Biol., 397, 2010
|
|
4E0U
| Crystal structure of CdpNPT in complex with thiolodiphosphate and (S)-benzodiazependione | Descriptor: | (3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 1,2-ETHANEDIOL, Cyclic dipeptide N-prenyltransferase, ... | Authors: | Schuller, J.M, Zocher, G, Stehle, T. | Deposit date: | 2012-03-05 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity. J.Mol.Biol., 422, 2012
|
|
4AW0
| Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
|
|