2HFF
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![BU of 2hff by Molmil](/molmil-images/mine/2hff) | Crystal structure of CB2 Fab | Descriptor: | CB2 Fab, heavy chain, light chain | Authors: | Hymowitz, S.G. | Deposit date: | 2006-06-23 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Synthetic anti-BR3 antibodies that mimic BAFF binding and target both human and murine B cells. Blood, 108, 2006
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2HEV
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![BU of 2hev by Molmil](/molmil-images/mine/2hev) | Crystal structure of the complex between OX40L and OX40 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 4, Tumor necrosis factor receptor superfamily member 4 | Authors: | Hymowitz, S.G, Compaan, D.M. | Deposit date: | 2006-06-22 | Release date: | 2006-08-29 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The Crystal Structure of the Costimulatory OX40-OX40L Complex. Structure, 14, 2006
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2HFG
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![BU of 2hfg by Molmil](/molmil-images/mine/2hfg) | Crystal structure of hBR3 bound to CB3s-Fab | Descriptor: | CB3s Fab heavy chain, CB3s Fab light chain (kappa), Tumor necrosis factor receptor superfamily member 13C | Authors: | Hymowitz, S.G. | Deposit date: | 2006-06-23 | Release date: | 2006-11-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Synthetic anti-BR3 antibodies that mimic BAFF binding and target both human and murine B cells. Blood, 108, 2006
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2HEW
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![BU of 2hew by Molmil](/molmil-images/mine/2hew) | The X-ray crystal structure of murine OX40L | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor ligand superfamily member 4 | Authors: | Hymowitz, S.G, Compaan, D.M. | Deposit date: | 2006-06-22 | Release date: | 2006-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Crystal Structure of the Costimulatory OX40-OX40L Complex. Structure, 14, 2006
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4OTF
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![BU of 4otf by Molmil](/molmil-images/mine/4otf) | Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | Descriptor: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Hymowitz, S.G, Maurer, B. | Deposit date: | 2014-02-13 | Release date: | 2015-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834. Bioorg.Med.Chem.Lett., 25, 2015
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4NB6
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![BU of 4nb6 by Molmil](/molmil-images/mine/4nb6) | Crystal structure of the ligand binding domain of RORC with T0901317 | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma | Authors: | Hymowitz, S.G, Boenig-de Leon, G. | Deposit date: | 2013-10-22 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc. Bioorg.Med.Chem.Lett., 23, 2013
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6XAG
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![BU of 6xag by Molmil](/molmil-images/mine/6xag) | Apo BRAF dimer bound to 14-3-3 | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | Deposit date: | 2020-06-04 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Dimerization Induced by C-Terminal 14-3-3 Binding Is Sufficient for BRAF Kinase Activation. Biochemistry, 59, 2020
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7SZR
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![BU of 7szr by Molmil](/molmil-images/mine/7szr) | NIK bound to inhibitor G02792917 | Descriptor: | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Liau, N.P.D, Hymowitz, S.G. | Deposit date: | 2021-11-29 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design. Bioorg.Med.Chem.Lett., 89, 2023
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6G4Y
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![BU of 6g4y by Molmil](/molmil-images/mine/6g4y) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | Descriptor: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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6G4Z
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![BU of 6g4z by Molmil](/molmil-images/mine/6g4z) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f | Descriptor: | 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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7SD1
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7SD0
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![BU of 7sd0 by Molmil](/molmil-images/mine/7sd0) | Cryo-EM structure of the SHOC2:PP1C:MRAS complex | Descriptor: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Liau, N.P.D, Johnson, M.C, Hymowitz, S.G, Sudhamsu, J. | Deposit date: | 2021-09-29 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis for SHOC2 modulation of RAS signalling. Nature, 609, 2022
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3UW5
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![BU of 3uw5 by Molmil](/molmil-images/mine/3uw5) | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | Authors: | Maurer, B, Hymowitz, S.G. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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4WPF
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![BU of 4wpf by Molmil](/molmil-images/mine/4wpf) | Crystal structure of RORc in complex with a phenyl sulfonamide agonist | Descriptor: | N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS | Authors: | Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G. | Deposit date: | 2014-10-18 | Release date: | 2015-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. Acs Med.Chem.Lett., 6, 2015
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4WQP
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![BU of 4wqp by Molmil](/molmil-images/mine/4wqp) | |
6U2H
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![BU of 6u2h by Molmil](/molmil-images/mine/6u2h) | BRAF dimer bound to 14-3-3 | Descriptor: | 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | Deposit date: | 2019-08-19 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
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6NYQ
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2AW2
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![BU of 2aw2 by Molmil](/molmil-images/mine/2aw2) | Crystal structure of the human BTLA-HVEM complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B and T lymphocyte attenuator, NICKEL (II) ION, ... | Authors: | Compaan, D.M, Gonzalez, L.C, Tom, I, Loyet, K.M, Eaton, D, Hymowitz, S.G. | Deposit date: | 2005-08-31 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Attenuating Lymphocyte Activity: the crystal structure of the BTLA-HVEM complex J.Biol.Chem., 280, 2005
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6PPG
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![BU of 6ppg by Molmil](/molmil-images/mine/6ppg) | |
1ZA3
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![BU of 1za3 by Molmil](/molmil-images/mine/1za3) | The crystal structure of the YSd1 Fab bound to DR5 | Descriptor: | Fab-YSd1 heavy chain, Fab-YSd1 light chain, Tumor necrosis factor receptor superfamily member 10B | Authors: | Fellouse, F.A, Li, B, Compaan, D.M, Peden, A.A, Hymowitz, S.G, Sidhu, S.S. | Deposit date: | 2005-04-05 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Molecular recognition by a binary code. J.Mol.Biol., 348, 2005
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3HO3
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![BU of 3ho3 by Molmil](/molmil-images/mine/3ho3) | |
5HIE
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![BU of 5hie by Molmil](/molmil-images/mine/5hie) | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | Descriptor: | Dabrafenib, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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5HI2
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![BU of 5hi2 by Molmil](/molmil-images/mine/5hi2) | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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5HID
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![BU of 5hid by Molmil](/molmil-images/mine/5hid) | BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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5WNM
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![BU of 5wnm by Molmil](/molmil-images/mine/5wnm) | |