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
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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
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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
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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
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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: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human Pim1 Phosphorylated on Ser261 To be Published
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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
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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
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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
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1VYH
| PAF-AH Holoenzyme: Lis1/Alfa2 | Descriptor: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB ALPHA SUBUNIT, PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB BETA SUBUNIT | Authors: | Tarricone, C, Perrina, F, Monzani, S, Massimiliano, L, Knapp, S, Tsai, L.-H, Derewenda, Z.S, Musacchio, A. | Deposit date: | 2004-04-30 | Release date: | 2005-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Coupling Paf Signaling to Dynein Regulation: Structure of Lis1 in Complex with Paf-Acetylhydrolase. Neuron, 44, 2004
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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: | 2024-01-31 | 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
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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
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2GJT
| Crystal structure of the human receptor phosphatase PTPRO | Descriptor: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase PTPRO | Authors: | Barr, A, Ugochukwu, E, Eswaran, J, Das, S, Niesen, F, Savitsky, P, Turnbull, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, von Delft, F, Papagrigoriou, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-31 | Release date: | 2006-05-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell(Cambridge,Mass.), 136, 2009
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3LXJ
| Crystal Structure of the Bromodomain of Human AAA domain containing 2B (ATAD2B) | Descriptor: | ATPase family AAA domain-containing protein 2B, ISOPROPYL ALCOHOL | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Krojer, T, Vollmar, M, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-02-25 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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7Z3X
| Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*T)-3'), DNA (5'-D(P*GP*TP*())-3'), ... | Authors: | Ni, X, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-02 | Release date: | 2022-11-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA To Be Published
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3CY3
| Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V | Descriptor: | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ... | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-25 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V. To be Published
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2RFJ
| Crystal structure of the bromo domain 1 in human bromodomain containing protein, testis specific (BRDT) | Descriptor: | Bromodomain testis-specific protein | Authors: | Filippakopoulos, P, Salah, E, Savitsky, P, Keates, T, Parizotto, E, Elkins, J, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-30 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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4USD
| Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, 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 (3.05 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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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
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3MA3
| Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand | Descriptor: | Pimtide, Proto-oncogene serine/threonine-protein kinase pim-1, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Vollmar, M, von Delft, F, Cochet, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-23 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights. Faseb J., 24, 2010
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3MDY
| Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189 | Descriptor: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Chaikuad, A, Sanvitale, C, Mahajan, P, Daga, N, Cooper, C, Krojer, T, Alfano, I, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189 To be Published
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4USE
| Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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8CPH
| Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form) | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8CPI
| Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8CPJ
| Crystal structure of PPAR gamma (PPARG) in an inactive form | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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5HRV
| Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | Descriptor: | 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | Deposit date: | 2016-01-24 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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