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2M20
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BU of 2m20 by Molmil
EGFR transmembrane - juxtamembrane (TM-JM) segment in bicelles: MD guided NMR refined structure.
Descriptor: Epidermal growth factor receptor
Authors:Endres, N.F, Das, R, Smith, A, Arkhipov, A, Kovacs, E, Huang, Y, Pelton, J.G, Shan, Y, Shaw, D.E, Wemmer, D.E, Groves, J.T, Kuriyan, J.
Deposit date:2012-12-11
Release date:2013-02-20
Method:SOLUTION NMR
Cite:Conformational Coupling across the Plasma Membrane in Activation of the EGF Receptor.
Cell(Cambridge,Mass.), 152, 2013
3G6G
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BU of 3g6g by Molmil
Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Descriptor: GLYCEROL, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J.
Deposit date:2009-02-06
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Cancer Res., 69, 2009
3G6H
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BU of 3g6h by Molmil
Src Thr338Ile inhibited in the DFG-Asp-Out conformation
Descriptor: N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J.
Deposit date:2009-02-06
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Cancer Res., 69, 2009
3KEX
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BU of 3kex by Molmil
Crystal structure of the catalytically inactive kinase domain of the human epidermal growth factor receptor 3 (HER3)
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Receptor tyrosine-protein kinase erbB-3
Authors:Jura, N, Shan, Y, Cao, X, Shaw, D.E, Kuriyan, J.
Deposit date:2009-10-26
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3.
Proc.Natl.Acad.Sci.USA, 106, 2009
4F3L
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BU of 4f3l by Molmil
Crystal Structure of the Heterodimeric CLOCK:BMAL1 Transcriptional Activator Complex
Descriptor: BMAL1b, Circadian locomoter output cycles protein kaput
Authors:Huang, N, Chelliah, Y, Shan, Y, Taylor, C, Yoo, S, Partch, C, Green, C.B, Zhang, H, Takahashi, J.
Deposit date:2012-05-09
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Crystal structure of the heterodimeric CLOCK:BMAL1 transcriptional activator complex.
Science, 337, 2012
6LIG
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BU of 6lig by Molmil
Crystal structure of human Glutamate oxaloacetate transaminase 1 (GOT1) in complex with AH
Descriptor: 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one, Glutamate oxaloacetate transaminase 1, PYRIDOXAL-5'-PHOSPHATE
Authors:Yan, S, Sun, W.G, Zhang, Y.H.
Deposit date:2019-12-10
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structure of human Glutamate oxaloacetate transaminase 1 (GOT1) in complex with AH
To Be Published
7KDC
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BU of 7kdc by Molmil
The complex between RhoD and the Plexin B2 RBD
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-B2, ...
Authors:Kuo, Y, Wang, Y, Zhang, x.
Deposit date:2020-10-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A putative structural mechanism underlying the antithetic effect of homologous RND1 and RhoD GTPases in mammalian plexin regulation.
Elife, 10, 2021
5TJX
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BU of 5tjx by Molmil
Structure of human plasma kallikrein
Descriptor: (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein
Authors:Partridge, J.R, Choy, R.M, Li, Z.
Deposit date:2016-10-05
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.408 Å)
Cite:Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
ACS Med Chem Lett, 8, 2017
6UNQ
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BU of 6unq by Molmil
Kinase domain of ALK2-K493A with AMPPNP
Descriptor: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNR
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BU of 6unr by Molmil
Kinase domain of ALK2-K492A/K493A with AMPPNP
Descriptor: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNP
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BU of 6unp by Molmil
Crystal structure of the kinase domain of BMPR2-D485G
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNS
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BU of 6uns by Molmil
Kinase domain of ALK2-K492A/K493A with LDN-193189
Descriptor: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
5GW0
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BU of 5gw0 by Molmil
Crystal structure of SNX16 PX-Coiled coil
Descriptor: Sorting nexin-16
Authors:Xu, J, Liu, J.
Deposit date:2016-09-08
Release date:2017-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
5GW1
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BU of 5gw1 by Molmil
Crystal structure of SNX16 PX-Coiled coil in space group P212121
Descriptor: Sorting nexin-16
Authors:Xu, J, Liu, J.
Deposit date:2016-09-08
Release date:2017-09-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
4RIW
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BU of 4riw by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
4RIY
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BU of 4riy by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Liu, L, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.981 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
4RIX
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BU of 4rix by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Liu, L, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
4U97
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BU of 4u97 by Molmil
Crystal Structure of Asymmetric IRAK4 Dimer
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
Authors:Ferrao, R, Wu, H.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
4U9A
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BU of 4u9a by Molmil
Sulphur Anomalous Crystal Structure of Asymmetric IRAK4 Dimer
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
Authors:Ferrao, R, Liu, Q, Wu, H.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
4YGA
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BU of 4yga by Molmil
CDPK1, from Toxoplasma gondii, bound to inhibitory VHH-1B7
Descriptor: CALCIUM ION, Calmodulin-domain protein kinase 1, VHH-1B7
Authors:Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2015-02-26
Release date:2015-08-26
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Allosteric activation of apicomplexan calcium-dependent protein kinases.
Proc.Natl.Acad.Sci.USA, 112, 2015
5K54
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BU of 5k54 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state
Descriptor: Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.717 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
5L0A
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BU of 5l0a by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
4FVR
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BU of 4fvr by Molmil
Crystal structure of the Jak2 pseudokinase domain mutant V617F (Mg-ATP-bound form)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tyrosine-protein kinase JAK2
Authors:Bandaranayake, R.M, Hubbard, S.R.
Deposit date:2012-06-29
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
4FVP
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BU of 4fvp by Molmil
Crystal structure of the Jak2 pseudokinase domain (apo form)
Descriptor: GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Bandaranayake, R.M, Hubbard, S.R.
Deposit date:2012-06-29
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
4FVQ
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BU of 4fvq by Molmil
Crystal structure of the Jak2 pseudokinase domain (Mg-ATP-bound form)
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bandaranayake, R.M, Hubbard, S.R.
Deposit date:2012-06-29
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012

 

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