7Y1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y1j by Molmil](/molmil-images/mine/7y1j) | Structure of SUR2A in complex with Mg-ATP and repaglinide in the inward-facing conformation. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 9, MAGNESIUM ION, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
|
|
7Y1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y1l by Molmil](/molmil-images/mine/7y1l) | Structure of SUR2B in complex with Mg-ATP and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, MAGNESIUM ION, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
|
|
7Y1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y1k by Molmil](/molmil-images/mine/7y1k) | Structure of SUR2A in complex with Mg-ATP, Mg-ADP and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
|
|
5IEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iey by Molmil](/molmil-images/mine/5iey) | Crystal structure of a CDK inhibitor bound to CDK2 | Descriptor: | 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2 | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
|
|
2C5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c5o by Molmil](/molmil-images/mine/2c5o) | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2005-10-30 | Release date: | 2006-03-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
|
|
7Y1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y1m by Molmil](/molmil-images/mine/7y1m) | Structure of SUR2B in complex with Mg-ATP, Mg-ADP, and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
|
|
5ILU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ilu by Molmil](/molmil-images/mine/5ilu) | Autoinhibited ETV4 | Descriptor: | ETS translocation variant 4 | Authors: | Whitby, F.G, Currie, S.L. | Deposit date: | 2016-03-04 | Release date: | 2017-02-22 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Structured and disordered regions cooperatively mediate DNA-binding autoinhibition of ETS factors ETV1, ETV4 and ETV5. Nucleic Acids Res., 45, 2017
|
|
7Y1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y1n by Molmil](/molmil-images/mine/7y1n) | Structure of SUR2B in complex with Mg-ATP, Mg-ADP, and repaglinide in the partially occluded state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
|
|
2C5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c5x by Molmil](/molmil-images/mine/2c5x) | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | Authors: | Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2005-11-03 | Release date: | 2006-03-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
|
|
2C1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c1t by Molmil](/molmil-images/mine/2c1t) | Structure of the Kap60p:Nup2 complex | Descriptor: | IMPORTIN ALPHA SUBUNIT, NUCLEOPORIN NUP2 | Authors: | Matsuura, Y, Stewart, M. | Deposit date: | 2005-09-20 | Release date: | 2005-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nup50/Npap60 Function in Nuclear Import Complex Disassembly and Importin Recycling Embo J., 24, 2005
|
|
2C6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c6k by Molmil](/molmil-images/mine/2c6k) | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | Descriptor: | 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2005-11-10 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2BKR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bkr by Molmil](/molmil-images/mine/2bkr) | NEDD8 NEDP1 complex | Descriptor: | NEDDYLIN, SENTRIN-SPECIFIC PROTEASE 8 | Authors: | Shen, L.N, Liu, H, Dong, C, Xirodimas, D, Naismith, J.H, Hay, R.T. | Deposit date: | 2005-02-18 | Release date: | 2005-09-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Nedd8 Ubiquitin Discrimination by the Deneddylating Enzyme Nedp1 Embo J., 24, 2005
|
|
7YB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yb4 by Molmil](/molmil-images/mine/7yb4) | |
8K3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k3d by Molmil](/molmil-images/mine/8k3d) | Crystal structure of NRF1 DBD bound to DNA | Descriptor: | DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1 | Authors: | Li, W.F, Liu, K, Min, J.R. | Deposit date: | 2023-07-15 | Release date: | 2023-12-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular mechanism of specific DNA sequence recognition by NRF1. Nucleic Acids Res., 52, 2024
|
|
8K5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k5r by Molmil](/molmil-images/mine/8k5r) | CDK9/cyclin T1 in complex with KB-0742 | Descriptor: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9 | Authors: | Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D. | Deposit date: | 2023-07-24 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.751 Å) | Cite: | Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers. J.Med.Chem., 66, 2023
|
|
8K4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k4l by Molmil](/molmil-images/mine/8k4l) | |
4PTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ptc by Molmil](/molmil-images/mine/4ptc) | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | Descriptor: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.711 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
|
|
4PSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4psi by Molmil](/molmil-images/mine/4psi) | PIH1D1/phospho-Tel2 complex | Descriptor: | PIH1 domain-containing protein 1, Telomere length regulation protein TEL2 homolog | Authors: | Smerdon, S.J, Boulton, S.J, Stach, L, Flower, T.G, Horejsi, Z. | Deposit date: | 2014-03-07 | Release date: | 2014-04-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Phosphorylation-Dependent PIH1D1 Interactions Define Substrate Specificity of the R2TP Cochaperone Complex. Cell Rep, 7, 2014
|
|
7YXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yxy by Molmil](/molmil-images/mine/7yxy) | |
7YXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yxx by Molmil](/molmil-images/mine/7yxx) | |
5JCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jct by Molmil](/molmil-images/mine/5jct) | |
4QIB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qib by Molmil](/molmil-images/mine/4qib) | Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | Authors: | Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H. | Deposit date: | 2014-05-30 | Release date: | 2015-02-04 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (1.865 Å) | Cite: | Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1. Biochim.Biophys.Acta, 1852, 2015
|
|
5J9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9t by Molmil](/molmil-images/mine/5j9t) | Crystal structure of the NuA4 core complex | Descriptor: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | Authors: | Chen, Z.C, Xu, P. | Deposit date: | 2016-04-11 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
|
|
4Q9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q9g by Molmil](/molmil-images/mine/4q9g) | |
2C4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c4g by Molmil](/molmil-images/mine/2c4g) | STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 | Descriptor: | (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G. | Deposit date: | 2005-10-19 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|