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PDB: 76 results

6KGQ
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BU of 6kgq by Molmil
LSD1-FCPA-MPE five-membered ring adduct model
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Niwa, H, Sato, S, Handa, N, Umehara, T.
Deposit date:2019-07-12
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
5ZQP
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Tankyrase-2 in complex with compound 12
Descriptor: 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one, GLYCEROL, PHOSPHATE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2018-04-19
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
6KGM
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BU of 6kgm by Molmil
LSD1-CoREST-S2116 five-membered ring adduct model
Descriptor: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2019-07-12
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
5YLT
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BU of 5ylt by Molmil
Crystal structure of SET7/9 in complex with a cyproheptadine derivative
Descriptor: 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ...
Authors:Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H.
Deposit date:2017-10-19
Release date:2018-06-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
1W4J
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BU of 1w4j by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: PYRUVATE DEHYDROGENASE E2
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, 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
1W4G
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BU of 1w4g by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state folding transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, 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
5ZQO
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BU of 5zqo by Molmil
Tankyrase-2 in complex with compound 1a
Descriptor: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, SULFATE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2018-04-19
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
1W4E
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BU of 1w4e by Molmil
Peripheral-subunit binding domains 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, Sato, S, 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
1W4K
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BU of 1w4k by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: PYRUVATE DEHYDROGENASE E2
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, 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
1W4I
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BU of 1w4i by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: PYRUVATE DEHYDROGENASE E2
Authors:Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, 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
6KGL
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BU of 6kgl by Molmil
LSD1-CoREST-S2101 N5 adduct model
Descriptor: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S.
Deposit date:2019-07-12
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
6KGK
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BU of 6kgk by Molmil
LSD1-CoREST-S2101 five-membered ring adduct model
Descriptor: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S.
Deposit date:2019-07-12
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
3WPU
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BU of 3wpu by Molmil
Full-length beta-fructofuranosidase from Microbacterium saccharophilum K-1
Descriptor: Beta-fructofuranosidase, GLYCEROL
Authors:Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T.
Deposit date:2014-01-17
Release date:2014-03-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase
Appl.Microbiol.Biotechnol., 98, 2014
3WPV
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BU of 3wpv by Molmil
Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/F447V/F470Y/P500S
Descriptor: Beta-fructofuranosidase, GLYCEROL
Authors:Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T.
Deposit date:2014-01-17
Release date:2014-03-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase
Appl.Microbiol.Biotechnol., 98, 2014
3WPY
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BU of 3wpy by Molmil
Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447V/P500S
Descriptor: Beta-fructofuranosidase
Authors:Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T.
Deposit date:2014-01-17
Release date:2014-03-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase
Appl.Microbiol.Biotechnol., 98, 2014
3WPZ
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BU of 3wpz by Molmil
Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447P/F470Y/P500S
Descriptor: Beta-fructofuranosidase
Authors:Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T.
Deposit date:2014-01-17
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase
Appl.Microbiol.Biotechnol., 98, 2014
5X60
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BU of 5x60 by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 9
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2017-02-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017
3A99
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BU of 3a99 by Molmil
Structure of PIM-1 kinase crystallized in the presence of P27KIP1 Carboxy-terminal peptide
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Morishita, D, Takami, M, Yoshikawa, S, Katayama, R, Sato, S, Kukimoto-Niino, M, Umehara, T, Shirouzu, M, Sekimizu, K, Yokoyama, S, Fujita, N.
Deposit date:2009-10-22
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cell-permeable carboxyl-terminal p27(Kip1) peptide exhibits anti-tumor activity by inhibiting Pim-1 kinase
J.Biol.Chem., 286, 2011
3ABU
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BU of 3abu by Molmil
Crystal Structure of LSD1 in complex with a 2-PCPA derivative, S1201
Descriptor: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
Authors:Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-12-21
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
Biochemistry, 49, 2010
3ABT
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BU of 3abt by Molmil
Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine
Descriptor: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate
Authors:Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-12-21
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
Biochemistry, 49, 2010
2CU3
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BU of 2cu3 by Molmil
Crystal structure of TT1568 from Thermus thermophilus HB8
Descriptor: CADMIUM ION, unknown function protein
Authors:Sugahara, M, Satoh, S, Ebihara, A, Kuramitsu, S, Yokoyama, S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-25
Release date:2006-05-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of TT1568 from Thermus thermophilus HB8
To be Published
2DC0
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BU of 2dc0 by Molmil
Crystal structure of amidase
Descriptor: probable amidase
Authors:Ohshima, T, Sakuraba, H, Ebihara, A, Kanagawa, M, Nakagawa, N, Kuroishi, C, Satoh, S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-17
Release date:2007-01-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of amidase
To be Published
2EIS
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BU of 2eis by Molmil
X-ray structure of acyl-CoA hydrolase-like protein, TT1379, from Thermus thermophilus HB8
Descriptor: COENZYME A, Hypothetical protein TTHB207
Authors:Kamitori, S, Yoshida, H, Satoh, S, Iino, H, Ebihara, A, Chen, L, Fu, Z.-Q, Chrzas, J, Wang, B.-C, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-13
Release date:2008-03-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structure of acyl-CoA hydrolase-like protein, TT1379, from Thermus thermophilus HB8
To be Published
3CQ1
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BU of 3cq1 by Molmil
Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein (TT1362) from Thermus Thermophilus HB8
Descriptor: Putative uncharacterized protein TTHB138
Authors:Jeyakanthan, J, Satoh, S, Kitamura, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-04-02
Release date:2009-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein (TT1362) from Thermus Thermophilus HB8
To be Published
3CQ2
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BU of 3cq2 by Molmil
Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein (other form) from Thermus Thermophilus HB8
Descriptor: Putative uncharacterized protein TTHB138
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Satoh, S, Kitamura, Y, Ebihara, A, Chen, L, Liu, Z.J, Wang, B.C, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-04-02
Release date:2009-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein from Thermus Thermophilus HB8
To be Published

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