1FAN
 
 | | CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR | | Authors: | Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C. | | Deposit date: | 1992-08-21 | | Release date: | 1993-10-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
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1NAG
 | | CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION | | Authors: | Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C. | | Deposit date: | 1992-08-18 | | Release date: | 1993-10-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
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3U2P
 | | Crystal structure of N-terminal three extracellular domains of ErbB4/Her4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4 | | Authors: | Liu, P, Bouyain, S, Elgenbrot, C, Leahy, D.J. | | Deposit date: | 2011-10-04 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The ErbB4 extracellular region retains a tethered-like conformation in the absence of the tether.
Protein Sci., 21, 2012
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1FLT
 | | VEGF IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR | | Descriptor: | FMS-LIKE TYROSINE KINASE 1, VASCULAR ENDOTHELIAL GROWTH FACTOR | | Authors: | Wiesmann, C, De Vos, A.M. | | Deposit date: | 1997-11-20 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure at 1.7 A resolution of VEGF in complex with domain 2 of the Flt-1 receptor.
Cell(Cambridge,Mass.), 91, 1997
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7K0V
 | | Crystal structure of bRaf in complex with inhibitor GNE-0749 | | Descriptor: | CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase | | Authors: | Yin, J, Eigenbrot, C.E, Wang, W. | | Deposit date: | 2020-09-06 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
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4E5W
 | | JAK1 kinase (JH1 domain) in complex with compound 26 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-14 | | Release date: | 2012-05-30 | | Last modified: | 2012-07-11 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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4E6D
 | | JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | | Descriptor: | 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-15 | | Release date: | 2012-05-30 | | Last modified: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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4E6Q
 | | JAK2 kinase (JH1 domain) triple mutant in complex with compound 12 | | Descriptor: | 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-15 | | Release date: | 2012-05-30 | | Last modified: | 2012-07-11 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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6E4Y
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6E4Z
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6EP9
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6MV5
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6U3I
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6U2F
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4U81
 | | MEK1 Kinase bound to small molecule inhibitor G659 | | Descriptor: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Robarge, K.D, Ultsch, M.H, Weismann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4U80
 | | MEK 1 kinase bound to G799 | | Descriptor: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Ultsch, M.H, Robarge, K.D, Weismann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4U7Z
 | | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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7LFB
 | | Fab 7D6 bound to ApoL1 NTD | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Apolipoprotein L1, Fab 7D6 heavy chain, ... | | Authors: | Ultsch, M, Kirchhofer, D. | | Deposit date: | 2021-01-16 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.913 Å) | | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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7LFA
 | | Fab 3B6 bound to ApoL1 NTD | | Descriptor: | Apolipoprotein L1, CHLORIDE ION, Fab 3B6 heavy chain, ... | | Authors: | Ultsch, M, Kirchhofer, D. | | Deposit date: | 2021-01-15 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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7LF7
 | | Fab 6D12 bound to ApoL1 NTD | | Descriptor: | Apolipoprotein L1, ETHANOL, Fab 6D12 heavy chain, ... | | Authors: | Ultsch, M, Kirchhofer, D. | | Deposit date: | 2021-01-15 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.026 Å) | | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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7LF8
 | | Fab 6D12 bound to ApoL2 NTD | | Descriptor: | Apolipoprotein L2, Fab 6D12 heavy chain, Fab 6D12 light chain, ... | | Authors: | Ultsch, M, Kirchhofer, D. | | Deposit date: | 2021-01-15 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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7LFD
 | | Fab 7D6 bound to ApoL1 BH3 like peptide | | Descriptor: | AMMONIUM ION, Apolipoprotein L1 BH3 like peptide, CITRATE ANION, ... | | Authors: | Ultsch, M, Kirchhofer, D. | | Deposit date: | 2021-01-16 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.157 Å) | | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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7L6K
 | | ApoL1 N-terminal domain | | Descriptor: | Apolipoprotein L1 | | Authors: | Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-08-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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5T8Q
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5T8O
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | | Descriptor: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | Authors: | Smith, M.A, McEwan, P, Hymowitz, S.G. | | Deposit date: | 2016-09-08 | | Release date: | 2017-01-11 | | Last modified: | 2017-02-08 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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