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8FV3
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BU of 8fv3 by Molmil
EGFR(T790M/V948R) in complex with compound 1 (LN4503)
Descriptor: Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ...
Authors:Ogboo, B.C, Heppner, D.E.
Deposit date:2023-01-18
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
4F9G
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BU of 4f9g by Molmil
Crystal structure of STING complex with Cyclic di-GMP.
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Transmembrane protein 173
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING.
Mol.Cell, 46, 2012
4F9E
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BU of 4f9e by Molmil
Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING
Descriptor: Transmembrane protein 173
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING.
Mol.Cell, 46, 2012
2HWO
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BU of 2hwo by Molmil
Crystal structure of Src kinase domain in complex with covalent inhibitor
Descriptor: GLYCEROL, N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Rauh, D, Blair, J.A, Shokat, K.M.
Deposit date:2006-08-01
Release date:2007-02-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.
Nat.Chem.Biol., 3, 2007
2HWP
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BU of 2hwp by Molmil
Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393
Descriptor: N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Rauh, D, Blair, J.A, Shokat, K.M.
Deposit date:2006-08-01
Release date:2007-02-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.
Nat.Chem.Biol., 3, 2007
3NIH
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BU of 3nih by Molmil
The structure of UBR box (RIAAA)
Descriptor: E3 ubiquitin-protein ligase UBR1, Peptide RIAAA, ZINC ION
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
3NIL
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BU of 3nil by Molmil
The structure of UBR box (RDAA)
Descriptor: ACETATE ION, E3 ubiquitin-protein ligase UBR1, Peptide RDAA, ...
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
3NIK
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BU of 3nik by Molmil
The structure of UBR box (REAA)
Descriptor: E3 ubiquitin-protein ligase UBR1, Peptide REAA, ZINC ION
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
3NIS
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BU of 3nis by Molmil
The structure of UBR box (native2)
Descriptor: ACETATE ION, E3 ubiquitin-protein ligase UBR1, ZINC ION
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
6G3C
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BU of 6g3c by Molmil
Crystal Structure of JAK2-V617F pseudokinase domain in complex with Compound 2
Descriptor: 1,2-ETHANEDIOL, 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one, Tyrosine-protein kinase
Authors:Dekker, C, Hinniger, A.
Deposit date:2018-03-24
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
Acs Chem.Biol., 14, 2019
4LGH
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BU of 4lgh by Molmil
Crystal structure of 1NM-PP1 bound to analog-sensitive Src kinase
Descriptor: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Lopez, M.S, Dar, A.C, Shokat, K.M.
Deposit date:2013-06-27
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure-guided inhibitor design expands the scope of analog-sensitive kinase technology.
Acs Chem.Biol., 8, 2013
4LGG
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BU of 4lgg by Molmil
Structure of 3MB-PP1 bound to analog-sensitive Src kinase
Descriptor: 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Lopez, M.S, Dar, A.C, Shokat, K.M.
Deposit date:2013-06-27
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-guided inhibitor design expands the scope of analog-sensitive kinase technology.
Acs Chem.Biol., 8, 2013
2TNF
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BU of 2tnf by Molmil
1.4 A RESOLUTION STRUCTURE OF MOUSE TUMOR NECROSIS FACTOR, TOWARDS MODULATION OF ITS SELECTIVITY AND TRIMERISATION
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, PROTEIN (TUMOR NECROSIS FACTOR ALPHA)
Authors:Baeyens, K.J, De Bondt, H.L, Raeymaekers, A, Fiers, W, De Ranter, C.J.
Deposit date:1998-10-12
Release date:1999-10-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards modulation of its selectivity and trimerization.
Acta Crystallogr.,Sect.D, 55, 1999
7UKW
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BU of 7ukw by Molmil
EGFR(T790M/V948R) in complex with Lazertinib (YH25448)
Descriptor: Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide
Authors:Pham, C.D, Heppner, D.E.
Deposit date:2022-04-02
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Acs Med.Chem.Lett., 13, 2022
1HCS
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BU of 1hcs by Molmil
NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX
Descriptor: ACETYL-PYEEIE-OH, HUMAN SRC
Authors:Gampe Junior, R.T, Xu, R.X.
Deposit date:1994-09-02
Release date:1995-09-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the human pp60c-src SH2 domain complexed with a phosphorylated tyrosine pentapeptide.
Biochemistry, 34, 1995
1HCT
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BU of 1hct by Molmil
NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX
Descriptor: ACETYL-PYEEIE-OH, HUMAN SRC
Authors:Gampe Junior, R.T, Xu, R.X.
Deposit date:1994-09-02
Release date:1995-09-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the human pp60c-src SH2 domain complexed with a phosphorylated tyrosine pentapeptide.
Biochemistry, 34, 1995
7TYG
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BU of 7tyg by Molmil
Structure of the human leucine rich repeat protein SHOC2, residues 80-582
Descriptor: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION
Authors:Dhembi, A, Clark, K, King, D.A.
Deposit date:2022-02-13
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the MRAS-SHOC2-PP1C phosphatase complex.
Nature, 609, 2022
7TXH
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BU of 7txh by Molmil
Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca
Descriptor: GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ...
Authors:Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M.
Deposit date:2022-02-09
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the MRAS-SHOC2-PP1C phosphatase complex.
Nature, 609, 2022
5TWY
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BU of 5twy by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWL
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BU of 5twl by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S.
Deposit date:2016-11-14
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWZ
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BU of 5twz by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
1QQG
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BU of 1qqg by Molmil
CRYSTAL STRUCTURE OF THE PH-PTB TARGETING REGION OF IRS-1
Descriptor: INSULIN RECEPTOR SUBSTRATE 1
Authors:Dhe-Paganon, S, Shoelson, S.E.
Deposit date:1999-06-04
Release date:1999-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the pleckstrin homology-phosphotyrosine binding (PH-PTB) targeting region of insulin receptor substrate 1.
Proc.Natl.Acad.Sci.USA, 96, 1999
1Y64
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BU of 1y64 by Molmil
Bni1p Formin Homology 2 Domain complexed with ATP-actin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Otomo, T, Tomchick, D.R, Otomo, C, Panchal, S.C, Machius, M, Rosen, M.K.
Deposit date:2004-12-03
Release date:2005-01-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis of actin filament nucleation and processive capping by a formin homology 2 domain
Nature, 433, 2005
2TUN
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BU of 2tun by Molmil
CONFORMATIONAL CHANGES IN THE (ALA-84-VAL) MUTANT OF TUMOR NECROSIS FACTOR
Descriptor: TUMOR NECROSIS FACTOR-ALPHA
Authors:Saludjian, P, Prange, T.
Deposit date:1993-10-06
Release date:1994-01-31
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Conformational Changes in the (Ala-84-Val) Mutant of Tumor Necrosis Factor
To be Published
3R7G
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BU of 3r7g by Molmil
Crystal structure of Spire KIND domain in complex with the tail of FMN2
Descriptor: Formin-2, Protein spire homolog 1
Authors:Kreutz, B, Vizcarra, C.L, Rodal, A.A, Toms, A.V, Lu, J, Quinlan, M.E, Eck, M.J.
Deposit date:2011-03-22
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Spire KIND domain and insights into its interaction with Fmn-family formins
Proc.Natl.Acad.Sci.USA, 2011

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