1B06
 
 | | SUPEROXIDE DISMUTASE FROM SULFOLOBUS ACIDOCALDARIUS | | Descriptor: | FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE) | | Authors: | Knapp, S, Kardinahl, S, Niklas, H, Tibbelin, G, Schafer, G, Ladenstein, R. | | Deposit date: | 1998-11-16 | | Release date: | 1999-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Refined crystal structure of a superoxide dismutase from the hyperthermophilic archaeon Sulfolobus acidocaldarius at 2.2 A resolution.
J.Mol.Biol., 285, 1999
|
|
1B26
 | | GLUTAMATE DEHYDROGENASE | | Descriptor: | GLUTAMATE DEHYDROGENASE | | Authors: | Knapp, S, Devos, W.M, Rice, D, Ladenstein, R. | | Deposit date: | 1998-12-04 | | Release date: | 1999-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of glutamate dehydrogenase from the hyperthermophilic eubacterium Thermotoga maritima at 3.0 A resolution.
J.Mol.Biol., 267, 1997
|
|
1XWS
 | | Crystal Structure of the human PIM1 kinase domain | | Descriptor: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION | | Authors: | Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K. | | Deposit date: | 2004-11-02 | | Release date: | 2004-11-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human PIM1 kinase domain
To be Published
|
|
2BIK
 | | Human Pim1 phosphorylated on Ser261 | | Descriptor: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CHLORIDE ION, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K. | | Deposit date: | 2005-01-22 | | Release date: | 2005-02-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human Pim1 Phosphorylated on Ser261
To be Published
|
|
2BIL
 | | The human protein kinase Pim1 in complex with its consensus peptide Pimtide | | Descriptor: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CONSENSUS PIM1 PEPTIDE PIMTIDE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K. | | Deposit date: | 2005-01-22 | | Release date: | 2005-02-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Human Protein Kinase Pim1 in Complex with its Consensus Peptide Pimtide
To be Published
|
|
1B3B
 | | THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT N97D, G376K | | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | | Authors: | Knapp, S, Lebbink, J.H.G, Van Der Oost, J, Devos, W.M, Rice, D, Ladenstein, R. | | Deposit date: | 1998-12-07 | | Release date: | 1999-12-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. I. Introduction of a six-residue ion-pair network in the hinge region.
J.Mol.Biol., 280, 1998
|
|
2TMG
 | | THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT S128R, T158E, N117R, S160E | | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | | Authors: | Knapp, S, Lebbink, J.H.G, van der Oost, J, de Vos, W.M, Rice, D, Ladenstein, R. | | Deposit date: | 1998-12-04 | | Release date: | 1999-12-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. II: construction of a 16-residue ion-pair network at the subunit interface.
J.Mol.Biol., 289, 1999
|
|
6QXK
 | | Human PIM1 bound to OX0999 | | Descriptor: | 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one, Pimtide, Serine/threonine-protein kinase pim-1 | | Authors: | Alexander, L.T, Elkins, J.M, Russell, A, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2019-03-07 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | PIM1 bound to OX0999
To Be Published
|
|
4TXC
 | | Crystal Structure of DAPK1 kinase domain in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(3-{3-[(R)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol, Death-associated protein kinase 1 | | Authors: | Sorrell, F.J, Krojer, T, Wilbek, T.S, Skovgaard, T, Berthelsen, J, Dixon-Clarke, S, Chalk, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Stromgaard, K, Knapp, S. | | Deposit date: | 2014-07-03 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1.
Chembiochem, 16, 2015
|
|
8Q53
 | |
8BI9
 | | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-01 | | Release date: | 2022-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction.
J.Med.Chem., 66, 2023
|
|
7NCF
 | | Crystal structure of HIPK2 in complex with MU135 (compound 21e) | | Descriptor: | 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine, Homeodomain-interacting protein kinase 2 | | Authors: | Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core.
Eur.J.Med.Chem., 215, 2021
|
|
3DAI
 | | Crystal structure of the bromodomain of the human ATAD2 | | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Roos, A.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-29 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
|
|
3D9C
 | | Crystal Structure PTP1B complex with aryl Seleninic acid | | Descriptor: | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Abdo, M, Liu, S, Zhou, B, Walls, C.D, Knapp, S, Zhang, Z.-Y. | | Deposit date: | 2008-05-27 | | Release date: | 2008-09-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Seleninate in place of phosphate: irreversible inhibition of protein tyrosine phosphatases.
J.Am.Chem.Soc., 130, 2008
|
|
7ATS
 | | The LIMK1 Kinase Domain Bound To LIJTF500127 | | Descriptor: | LIM domain kinase 1, N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500127
To Be Published
|
|
7ATU
 | | The LIMK1 Kinase Domain Bound To LIJTF500025 | | Descriptor: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide, LIM domain kinase 1 | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | | Deposit date: | 2020-10-30 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500025
To Be Published
|
|
3LM5
 | | Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B | | Authors: | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.29 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
|
|
6I5L
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | | Descriptor: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
6I5I
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h | | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1 | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
9GLQ
 | | Crystal structure of p73 tetramerisation domain in complex with darpins 1800 | | Descriptor: | COBALT (II) ION, Darpins 1800, GLYCEROL, ... | | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-08-27 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DARPins as a novel tool to detect and degrade p73.
Cell Death Dis, 15, 2024
|
|
6I5K
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
9FZB
 | | Human p53 DNA-binding domain bound to DARPin C10-H82R | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DARPin C10-H82R, ... | | Authors: | Yuksel, B, Balourdas, D.I, Muenick, P, Knapp, S, Doetsch, V, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-07-05 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | DARPin-induced reactivation of p53 in HPV-positive cells.
Nat.Struct.Mol.Biol., 2025
|
|
4USF
 | | Human SLK with SB-440719 | | Descriptor: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
|
|
9HHW
 | | Crystal structure of TTBK1 with a covalent compound GCL95 | | Descriptor: | Tau-tubulin kinase 1, ~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide | | Authors: | Wang, G, Seidler, N, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-22 | | Release date: | 2025-01-08 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Probing the Protein Kinases' Cysteinome by Covalent Fragments.
Angew.Chem.Int.Ed.Engl., 64, 2025
|
|
4Z6I
 | | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | | Descriptor: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | Deposit date: | 2015-04-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
