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PDB: 137 results

3AQA
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BU of 3aqa by Molmil
Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1
Descriptor: 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
Authors:Umehara, T, Nakamura, Y, Terada, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-10-27
Release date:2011-05-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Real-Time Imaging of Histone H4K12-Specific Acetylation Determines the Modes of Action of Histone Deacetylase and Bromodomain Inhibitors
Chem.Biol., 18, 2011
7X73
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BU of 7x73 by Molmil
Structure of G9a in complex with RK-701
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T.
Deposit date:2022-03-09
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
6M4W
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BU of 6m4w by Molmil
Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
5WRM
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BU of 5wrm by Molmil
Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y658 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S.
Deposit date:2016-12-02
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
7XUD
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BU of 7xud by Molmil
Structure of G9a in complex with compound 26a
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUA
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BU of 7xua by Molmil
Structure of G9a in complex with compound 10a
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUC
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BU of 7xuc by Molmil
Structure of G9a in complex with compound 11a
Descriptor: 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUB
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BU of 7xub by Molmil
Structure of G9a in complex with compound 10d
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
5X17
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BU of 5x17 by Molmil
Crystal structure of murine CK1d in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION
Authors:Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
Deposit date:2017-01-25
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
5WRL
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BU of 5wrl by Molmil
Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y628 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S.
Deposit date:2016-12-02
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.095 Å)
Cite:IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
5WRK
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BU of 5wrk by Molmil
Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y608 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1, NICKEL (II) ION
Authors:Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S.
Deposit date:2016-12-02
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
6M4V
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BU of 6m4v by Molmil
Crystal structure of MBP fused split FKBP in complex with rapamycin
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
6M4U
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BU of 6m4u by Molmil
Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin
Descriptor: CHLORIDE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
7VQT
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BU of 7vqt by Molmil
Crystal structure of LSD1 in complex with compound 5
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7VQS
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BU of 7vqs by Molmil
Crystal structure of LSD1 in complex with compound 4
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7VQU
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BU of 7vqu by Molmil
Crystal structure of LSD1 in complex with compound S1427
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7W3L
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BU of 7w3l by Molmil
Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Descriptor: 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2021-11-25
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE1
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BU of 7xe1 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-PCPA
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE2
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BU of 7xe2 by Molmil
Crystal structure of LSD2 in complex with trans-4-Br-PCPA
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE3
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BU of 7xe3 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Descriptor: 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
5H34
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BU of 5h34 by Molmil
Crystal structure of the C-terminal domain of methionyl-tRNA synthetase (MetRS-C) in Nanoarchaeum equitans
Descriptor: Methionine-tRNA ligase
Authors:Suzuki, H, Kaneko, A, Yamamoto, T, Nambo, M, Umehara, T, Yoshida, H, Park, S.Y, Tamura, K.
Deposit date:2016-10-20
Release date:2017-06-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Binding Properties of Split tRNA to the C-terminal Domain of Methionyl-tRNA Synthetase of Nanoarchaeum equitans.
J. Mol. Evol., 84, 2017
5H6R
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BU of 5h6r by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 13
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kkuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2016-11-14
Release date:2017-04-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 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
5H6Q
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BU of 5h6q by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 11
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:2016-11-14
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.53 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
3VUZ
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BU of 3vuz by Molmil
Crystal structure of histone methyltransferase SET7/9 in complex with AAM-1
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7
Authors:Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S.
Deposit date:2012-07-10
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
3VV0
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BU of 3vv0 by Molmil
Crystal structure of histone methyltransferase SET7/9 in complex with DAAM-3
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7
Authors:Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S.
Deposit date:2012-07-10
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013

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數據於2024-10-30公開中

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