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PDB: 80 results

4G3E
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Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 6-alkynylindoline (cmp1)
Descriptor: (2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol, NF-kappa-beta-inducing kinase, SULFATE ION
Authors:Hymowitz, S.G, de Leon-Boenig, G.
Deposit date:2012-07-13
Release date:2012-08-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
3L95
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Crystal structure of the human Notch1 Negative Regulatory Region (NRR) bound to the fab fragment of an antagonist antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1, ...
Authors:Hymowitz, S.G, de Leon, G.P.
Deposit date:2010-01-04
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Therapeutic antibody targeting of individual Notch receptors.
Nature, 464, 2010
4G3F
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Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)
Descriptor: 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile, NF-kappa-beta-inducing kinase
Authors:Hymowitz, S.G, de Leon-Boenig, G.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
1XUT
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Solution structure of TACI-CRD2
Descriptor: Tumor necrosis factor receptor superfamily member 13B
Authors:Hymowitz, S.G, Patel, D.R, Wallweber, H.J, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
Deposit date:2004-10-26
Release date:2004-11-09
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structures of APRIL-receptor complexes: like BCMA, TACI employs only a single cysteine-rich domain for high affinity ligand binding.
J.Biol.Chem., 280, 2005
1XU1
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The crystal structure of APRIL bound to TACI
Descriptor: NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13, Tumor necrosis factor receptor superfamily member 13B
Authors:Hymowitz, S.G, Patel, D.R, Wallweber, H.J.A, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
Deposit date:2004-10-25
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of APRIL-receptor complexes: Like BCMA, TACI employs only a single cysteine-rich domain for high-affinity ligand binding
J.Biol.Chem., 280, 2005
1XU2
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The crystal structure of APRIL bound to BCMA
Descriptor: NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13, Tumor necrosis factor receptor superfamily member 17
Authors:Hymowitz, S.G, Patel, D.R, Wallweber, H.J.A, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
Deposit date:2004-10-25
Release date:2004-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of APRIL-receptor complexes: Like BCMA, TACI employs only a single cysteine-rich domain for high-affinity ligand binding
J.Biol.Chem., 280, 2005
3MXV
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Crystal structure of fab fragment of anti-Shh 5E1 chimera
Descriptor: SULFATE ION, fab fragment of anti-Shh 5E1 mouse/human chimera, heavy chain, ...
Authors:Hymowitz, S.G, Maun, H.R.
Deposit date:2010-05-07
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hedgehog pathway antagonist 5E1 binds hedgehog at the pseudo-active site.
J.Biol.Chem., 285, 2010
3MXW
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Crystal structure Sonic hedgehog bound to the 5E1 fab fragment
Descriptor: 5E1 heavy chain, 5E1 light chain, CALCIUM ION, ...
Authors:Hymowitz, S.G, Maun, H.R.
Deposit date:2010-05-07
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Hedgehog pathway antagonist 5E1 binds hedgehog at the pseudo-active site.
J.Biol.Chem., 285, 2010
4WPF
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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
5HIE
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BU of 5hie by Molmil
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
7SD1
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BU of 7sd1 by Molmil
Crystal structure of SHOC2
Descriptor: Leucine-rich repeat protein SHOC-2
Authors:Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2021-09-29
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis for SHOC2 modulation of RAS signalling.
Nature, 609, 2022
7SD0
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BU of 7sd0 by Molmil
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
6XAG
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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
4WQP
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BU of 4wqp by Molmil
Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist
Descriptor: N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma, SULFATE ION, ...
Authors:Boenig, G, Hymowitz, S.G.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
7SZR
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BU of 7szr by Molmil
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
6U2G
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BU of 6u2g by Molmil
BRAF-MEK complex with AMP-PCP bound to BRAF
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
6NYQ
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BU of 6nyq by Molmil
Crystal structure of glycosylated lysosomal membrane protein (GLMP) luminal domain bound to a Fab fragment
Descriptor: 1H3 Fab heavy chain, 1H3 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, C.S, Boenig, G, Hymowitz, S.G.
Deposit date:2019-02-12
Release date:2020-01-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:GLMP is essential for bone-marrow hematopoiesis and lysosomal glycolipid metabolism
To Be Published
6PPG
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BU of 6ppg by Molmil
Crystal structure of IL17FF bound to Fab fragments of MCAF5352A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Fab MCAF5352A heavy chain, ...
Authors:Huang, C.S, Yin, J.P, Hymowitz, S.G.
Deposit date:2019-07-06
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies.
Mabs, 12
3TMO
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BU of 3tmo by Molmil
The catalytic domain of human deubiquitinase DUBA
Descriptor: OTU domain-containing protein 5
Authors:Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A.
Deposit date:2011-08-31
Release date:2012-01-11
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
3T6P
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BU of 3t6p by Molmil
IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization
Descriptor: Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J.
Deposit date:2011-07-28
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011
3TMP
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BU of 3tmp by Molmil
The catalytic domain of human deubiquitinase DUBA in complex with ubiquitin aldehyde
Descriptor: OTU domain-containing protein 5, Polyubiquitin-C
Authors:Ma, X, Yin, J, Hymowitz, S, Starovasnik, M, Cochran, A.
Deposit date:2011-08-31
Release date:2012-01-11
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
1U5Y
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BU of 1u5y by Molmil
Crystal structure of murine APRIL, pH 8.0
Descriptor: Tumor necrosis factor ligand superfamily member 13
Authors:Wallweber, H.J, Compaan, D.M, Starovasnik, M.A, Hymowitz, S.G.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of A Proliferation-inducing Ligand, APRIL.
J.Mol.Biol., 343, 2004
5T8O
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BU of 5t8o by Molmil
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:2024-05-08
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
1U5Z
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The Crystal structure of murine APRIL, pH 8.5
Descriptor: NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13
Authors:Wallweber, H.J, Compaan, D.M, Starovasnik, M.A, Hymowitz, S.G.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of A Proliferation-inducing Ligand, APRIL.
J.Mol.Biol., 343, 2004
1U5X
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Crystal structure of murine APRIL at pH 5.0
Descriptor: Tumor necrosis factor ligand superfamily member 13
Authors:Wallweber, H.J, Compaan, D.M, Starovasnik, M.A, Hymowitz, S.G.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of A Proliferation-inducing Ligand, APRIL.
J.Mol.Biol., 343, 2004

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