3TG3
 
 | | Crystal structure of the MAPK binding domain of MKP7 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein phosphatase 16 | | Authors: | Zhang, Y.Y, Liu, X, Wu, J.W, Wang, Z.X. | | Deposit date: | 2011-08-17 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | A Distinct Interaction Mode Revealed by the Crystal Structure of the Kinase p38alpha with the MAPK Binding Domain of the Phosphatase MKP5.
Sci.Signal., 4, 2011
|
|
4NCD
 | | Crystal Structure of Class 5 Fimbriae Chaperone CfaA | | Descriptor: | Gram-negative pili assembly chaperone, N-terminal domain protein | | Authors: | Bao, R, Xia, D. | | Deposit date: | 2013-10-24 | | Release date: | 2014-08-27 | | Method: | X-RAY DIFFRACTION (2.037 Å) | | Cite: | Structure of CfaA Suggests a New Family of Chaperones Essential for Assembly of Class 5 Fimbriae.
Plos Pathog., 10, 2014
|
|
2WGT
 | | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N-propaonyl-3,5-dideoxy-D- glycero-a-D-galacto-2-nonulopyranosylonic acid | | Descriptor: | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | | Authors: | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | | Deposit date: | 2009-04-27 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
|
|
6ZUF
 | | Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone | | Descriptor: | C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ... | | Authors: | Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F. | | Deposit date: | 2020-07-22 | | Release date: | 2021-06-09 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity.
Sci Adv, 7, 2021
|
|
7AA9
 | | Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1 | | Descriptor: | Gamma-aminobutyric acid receptor-associated protein-like 1, pT13/PT15 SCOC LIR | | Authors: | Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S. | | Deposit date: | 2020-09-03 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
|
|
1O7L
 | |
1O9H
 | |
6RQ1
 | | CYP121 in complex with 2-methyl dicyclotyrosine | | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
|
|
6RQB
 | | CYP121 in complex with 3-bromo dicyclotyrosine | | Descriptor: | 3-bromo dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
|
|
2VH5
 | | CRYSTAL STRUCTURE OF HRAS(G12V) - ANTI-RAS FV (disulfide free mutant) COMPLEX | | Descriptor: | ANTI-RAS FV HEAVY CHAIN, ANTI-RAS FV LIGHT CHAIN, GTPASE HRAS, ... | | Authors: | Tanaka, T, Williams, R.L, Rabbitts, T.H. | | Deposit date: | 2007-11-19 | | Release date: | 2008-01-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional Intracellular Antibody Fragments Do not Require Invariant Intra-Domain Disulfide Bonds.
J.Mol.Biol., 376, 2008
|
|
4L34
 | | Tankyrase 2 in complex with 4'-tetrazole flavone | | Descriptor: | 2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | | Deposit date: | 2013-06-05 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
|
|
4L53
 | | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ... | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
6ZWP
 | | p38a bound with SR348 | | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
|
|
5ZO9
 | | Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (C2 type) | | Descriptor: | (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | Authors: | Yokoyama, H, Sato, K. | | Deposit date: | 2018-04-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors.
Acs Omega, 3, 2018
|
|
5HKP
 | | Crystal structure of mouse Tankyrase/human TRF1 complex | | Descriptor: | Tankyrase-1, Telomeric repeat-binding factor 1 | | Authors: | Wang, Z, Li, B, Rao, Z, Xu, W. | | Deposit date: | 2016-01-14 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a tankyrase 1-telomere repeat factor 1 complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
|
|
4L6Q
 | | ROCK2 in complex with benzoxaborole | | Descriptor: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2 | | Authors: | Rock, F, Jarnagin, K. | | Deposit date: | 2013-06-12 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
|
|
5MRU
 | |
5MS7
 | |
3U9H
 | |
6RCX
 | | Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC. | | Descriptor: | CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ... | | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
|
|
7AAV
 | | Human pre-Bact-2 spliceosome core structure | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, D-chiro inositol hexakisphosphate, ... | | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | | Deposit date: | 2020-09-04 | | Release date: | 2020-12-09 | | Last modified: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation.
Science, 370, 2020
|
|
3TIG
 | | Tubulin tyrosine ligase | | Descriptor: | MAGNESIUM ION, Ttl protein | | Authors: | Roll-Mecak, A, Szyk, A, Deaconescu, A, Piszczek, G. | | Deposit date: | 2011-08-20 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tubulin tyrosine ligase structure reveals adaptation of an ancient fold to bind and modify tubulin.
Nat.Struct.Mol.Biol., 18, 2011
|
|
4AA5
 | | P38ALPHA MAP KINASE BOUND TO CMPD 33 | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE | | Authors: | Gerhardt, S, Hargreaves, D. | | Deposit date: | 2011-11-30 | | Release date: | 2012-05-16 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
|
|
4OA7
 | | Crystal structure of Tankyrase1 in complex with IWR1 | | Descriptor: | 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | | Authors: | Zhang, X, He, H. | | Deposit date: | 2014-01-03 | | Release date: | 2015-01-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
|
|
4KZQ
 | | Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavone | | Descriptor: | 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, SULFATE ION, Tankyrase-2, ... | | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | | Deposit date: | 2013-05-30 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
|
|
