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7R9T
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BU of 7r9t by Molmil
Crystal structure of HPK1 in complex with compound 17
Descriptor: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9N
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BU of 7r9n by Molmil
Crystal structure of HPK1 in complex with GNE1858
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ...
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
5EM7
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BU of 5em7 by Molmil
EGFR kinase domain mutant "TMLR" with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
Descriptor: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-11-05
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016
5EM5
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BU of 5em5 by Molmil
EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
Descriptor: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-11-05
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016
4HEE
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BU of 4hee by Molmil
Crystal structure of PPARgamma in complex with compound 13
Descriptor: 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Han, S.
Deposit date:2012-10-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma
Bioorg.Med.Chem.Lett., 23, 2013
3R8A
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BU of 3r8a by Molmil
X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
Descriptor: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2011-03-23
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
1YTM
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BU of 1ytm by Molmil
Crystal structure of phosphoenolpyruvate carboxykinase of Anaerobiospirillum succiniciproducens complexed with ATP, oxalate, magnesium and manganese ions
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Delbaere, L.T.J, Cotelesage, J.J.H.
Deposit date:2005-02-10
Release date:2006-01-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Anaerobiospirillum succiniciproducens PEP carboxykinase reveals an important active site loop
Int.J.Biochem.Cell Biol., 37, 2005
2FBO
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BU of 2fbo by Molmil
Crystal Structure of the Two Tandem V-type Regions of VCBP3 (v-region-containing chitin binding protein) to 1.85 A
Descriptor: variable region-containing chitin-binding protein 3
Authors:Hernandez Prada, J.A, Haire, R.N, Jakoncic, J, Cannon, J.P, Litman, G.W, Ostrov, D.A.
Deposit date:2005-12-09
Release date:2006-10-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus
Nat.Immunol., 7, 2006
1HAV
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BU of 1hav by Molmil
HEPATITIS A VIRUS 3C PROTEINASE
Descriptor: CHLORIDE ION, HEPATITIS A VIRUS 3C PROTEINASE
Authors:Bergmann, E.M, James, M.N.G.
Deposit date:1996-10-23
Release date:1996-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The refined crystal structure of the 3C gene product from hepatitis A virus: specific proteinase activity and RNA recognition.
J.Virol., 71, 1997
4LZZ
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BU of 4lzz by Molmil
Nucleotide-induced asymmetry within atpase activator ring drives s54-RNAP interaction and ATP hydrolysis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family), ...
Authors:Sysoeva, T.A, Chowdhury, S, Guo, L, Nixon, B.T.
Deposit date:2013-08-01
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Nucleotide-induced asymmetry within ATPase activator ring drives sigma 54-RNAP interaction and ATP hydrolysis.
Genes Dev., 27, 2013
5NMU
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BU of 5nmu by Molmil
Structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria
Descriptor: CBS-CP12, CHLORIDE ION
Authors:Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
Deposit date:2017-04-07
Release date:2018-05-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4LY6
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BU of 4ly6 by Molmil
Nucleotide-induced asymmetry within ATPase activator ring drives s54-RNAP interaction and ATP hydrolysis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family), ...
Authors:Sysoeva, T.A, Chowdhury, S, Guo, L, Nixon, B.T.
Deposit date:2013-07-30
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Nucleotide-induced asymmetry within ATPase activator ring drives sigma 54-RNAP interaction and ATP hydrolysis.
Genes Dev., 27, 2013
4TPY
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BU of 4tpy by Molmil
High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ...
Authors:Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S.
Deposit date:2014-06-10
Release date:2014-10-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
5NVD
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BU of 5nvd by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form
Descriptor: CBS-CP12
Authors:Hackenberg, C, Hakanpaa, J, Eigner, C, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
Deposit date:2017-05-04
Release date:2018-05-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1ALD
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BU of 1ald by Molmil
ACTIVITY AND SPECIFICITY OF HUMAN ALDOLASES
Descriptor: ALDOLASE A
Authors:Watson, H.C.
Deposit date:1991-05-05
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activity and specificity of human aldolases.
J.Mol.Biol., 219, 1991
2WGP
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BU of 2wgp by Molmil
Crystal structure of human dual specificity phosphatase 14
Descriptor: DUAL SPECIFICITY PROTEIN PHOSPHATASE 14, PHOSPHATE ION
Authors:Lountos, G.T, Tropea, J.E, Cherry, S, Waugh, D.S.
Deposit date:2009-04-22
Release date:2009-10-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Overproduction, Purification and Structure Determination of Human Dual-Specificity Phosphatase 14.
Acta Crystallogr.,Sect.D, 65, 2009
2ALD
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BU of 2ald by Molmil
HUMAN MUSCLE ALDOLASE
Descriptor: FRUCTOSE-BISPHOSPHATE ALDOLASE
Authors:Dalby, A.R, Littlechild, J.A.
Deposit date:1998-10-21
Release date:1999-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications.
Protein Sci., 8, 1999
4ALD
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BU of 4ald by Molmil
HUMAN MUSCLE FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE COMPLEXED WITH FRUCTOSE 1,6-BISPHOSPHATE
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-BISPHOSPHATE ALDOLASE
Authors:Dalby, A.R, Dauter, Z, Littlechild, J.A.
Deposit date:1998-07-26
Release date:1999-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications.
Protein Sci., 8, 1999

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