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6LUD
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BU of 6lud by Molmil
Crystal Structure of EGFR(L858R/T790M/C797S) in complex with Osimertinib
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H.
Deposit date:2020-01-27
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation.
Mol.Cancer Ther., 19, 2020
2BTG
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BU of 2btg by Molmil
peripheral-subunit binding domains from mesophilic,thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE SUCCINYLTRANSFERASE COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX
Authors:Ferguson, N, Allen, M.D.
Deposit date:2005-05-31
Release date:2006-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
2BTH
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BU of 2bth by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE SUCCINYLTRANSFERASE COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX
Authors:Ferguson, N, Allen, M.D.
Deposit date:2005-05-31
Release date:2006-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
1M3B
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BU of 1m3b by Molmil
Solution structure of a circular form of the N-terminal SH3 domain (A134C, E135G, R191G mutant) from oncogene protein c-Crk.
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
1M3A
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BU of 1m3a by Molmil
Solution structure of a circular form of the truncated N-terminal SH3 domain from oncogene protein c-Crk.
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
1M30
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BU of 1m30 by Molmil
Solution structure of N-terminal SH3 domain from oncogene protein c-Crk
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-26
Release date:2003-08-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
1M3C
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BU of 1m3c by Molmil
Solution structure of a circular form of the N-terminal SH3 domain (E132C, E133G, R191G mutant) from oncogene protein c-Crk
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
2ELL
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BU of 2ell by Molmil
Solution structure of the Leucine Rich Repeat of human Acidic leucine-rich nuclear phosphoprotein 32 family member B
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member B
Authors:Tochio, N, Koshiba, S, Watanabe, S, Harada, T, Umehara, T, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-27
Release date:2008-04-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of histone chaperone ANP32B: interaction with core histones H3-H4 through its acidic concave domain.
J.Mol.Biol., 401, 2010
2EQA
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BU of 2eqa by Molmil
Crystal Structure of the hypothetical Sua5 protein from Sulfolobus tokodaii
Descriptor: ADENOSINE MONOPHOSPHATE, Hypothetical protein ST1526, MAGNESIUM ION
Authors:Agari, Y, Shinkai, A, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-30
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of a hypothetical Sua5 protein from Sulfolobus tokodaii strain 7
Proteins, 70, 2008
3VHA
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BU of 3vha by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHC
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BU of 3vhc by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
Descriptor: 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHD
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BU of 3vhd by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840
Descriptor: 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
1W4H
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BU of 1w4h by Molmil
Peripheral-subunit from mesophilic, thermophilic and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Fersht, A.R.
Deposit date:2004-07-23
Release date:2005-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
1W4F
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BU of 1w4f by Molmil
Peripheral-subunit from mesophilic, thermophilic and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Fersht, A.R.
Deposit date:2004-07-23
Release date:2005-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
3A6R
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BU of 3a6r by Molmil
E13Q mutant of FMN-binding protein from Desulfovibrio vulgaris (Miyazaki F)
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, FMN-binding protein
Authors:Nakanishi, T, Haruyama, Y, Inoue, H, Kitamura, M.
Deposit date:2009-09-08
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Effects of the disappearance of one charge on ultrafast fluorescence dynamics of the FMN binding protein.
J.Phys.Chem.B, 114, 2010
3A6Q
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BU of 3a6q by Molmil
E13T mutant of FMN-binding protein from Desulfovibrio vulgaris (Miyazaki F)
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, FMN-binding protein
Authors:Nakanishi, T, Haruyama, Y, Inoue, H, Kitamura, M.
Deposit date:2009-09-08
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Effects of the disappearance of one charge on ultrafast fluorescence dynamics of the FMN binding protein.
J.Phys.Chem.B, 114, 2010
2HBB
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BU of 2hbb by Molmil
Crystal Structure of the N-terminal Domain of Ribosomal Protein L9 (NTL9)
Descriptor: 50S ribosomal protein L9, ZINC ION
Authors:Cho, J.-H, Kim, E.Y, Schindelin, H, Raleigh, D.P.
Deposit date:2006-06-14
Release date:2007-05-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Energetically significant networks of coupled interactions within an unfolded protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
2HBA
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BU of 2hba by Molmil
Crystal Structure of N-terminal Domain of Ribosomal Protein L9 (NTL9) K12M
Descriptor: 50S ribosomal protein L9, CHLORIDE ION, IMIDAZOLE, ...
Authors:Cho, J.-H, Kim, E.Y, Schindelin, H, Raleigh, D.P.
Deposit date:2006-06-14
Release date:2007-05-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Energetically significant networks of coupled interactions within an unfolded protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
1UEK
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BU of 1uek by Molmil
Crystal structure of 4-(cytidine 5'-diphospho)-2C-methyl-D-erythritol kinase
Descriptor: 4-(cytidine 5'-diphospho)-2C-methyl-D-erythritol kinase
Authors:Wada, T, Kuramitsu, S, Yokoyama, S, Tame, J.R.H, Park, S.Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-17
Release date:2003-06-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol kinase, an Enzyme in the Non-mevalonate Pathway of Isoprenoid Synthesis.
J.Biol.Chem., 278, 2003
2DJW
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BU of 2djw by Molmil
Crystal structure of TTHA0845 from Thermus thermophilus HB8
Descriptor: ZINC ION, probable transcriptional regulator, AsnC family
Authors:Okazaki, N, Nakano, N, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-05
Release date:2006-09-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the stand-alone RAM-domain protein from Thermus thermophilus HB8
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
3LMP
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BU of 3lmp by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2010-01-31
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
4F9M
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BU of 4f9m by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2012-05-19
Release date:2012-08-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators
Eur.J.Med.Chem., 54, 2012
2CB1
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BU of 2cb1 by Molmil
Crystal Structure of O-actetyl Homoserine Sulfhydrylase From Thermus Thermophilus HB8,OAH2.
Descriptor: O-ACETYL HOMOSERINE SULFHYDRYLASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Imagawa, T, Utsunomiya, H, Tsuge, H, Ebihara, A, Kanagawa, M, Nakagawa, N, Kuroishi, C, Agari, Y, Kuramitsu, S, Yokoyama, S.
Deposit date:2005-12-28
Release date:2007-01-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of O-Acetyl Homoserine Sulfhydrylase
To be Published
3V9T
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BU of 3v9t by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2012
3V9V
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BU of 3v9v by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma, methyl 3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2011

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