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4BV5
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Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A)
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVV
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BU of 4bvv by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVW
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BU of 4bvw by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ...
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
8SBD
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BU of 8sbd by Molmil
Cryo-EM structure of insulin amyloid-like fibril that is composed of two antiparallel protofilaments
分子名称: Insulin A chain, Insulin B chain
著者Wang, L.W, Hall, C, Uchikawa, E, Chen, D.L, Choi, E, Zhang, X.W, Bai, X.C.
登録日2023-04-03
公開日2023-08-30
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of insulin fibrillation.
Sci Adv, 9, 2023
4HWS
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BU of 4hws by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWP
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BU of 4hwp by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWT
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BU of 4hwt by Molmil
Crystal structure of human Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, cytoplasmic, ...
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWO
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BU of 4hwo by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWR
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BU of 4hwr by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
5NFO
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BU of 5nfo by Molmil
Human JMJD7 in complex with Mn and 2OG in the P21212 form
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
著者Chowdhury, R, Markolovic, S, Schofield, C.J.
登録日2017-03-14
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
5NFN
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BU of 5nfn by Molmil
JMJD7 IN COMPLEX WITH MN AND 2OG IN THE H32 FORM
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
著者Chowdhury, R, Markolovic, S, Schofield, C.J.
登録日2017-03-14
公開日2018-03-14
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.982 Å)
主引用文献(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
7YXI
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BU of 7yxi by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalylglycine (NOG)
分子名称: 1,2-ETHANEDIOL, GH14974p, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXH
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BU of 7yxh by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and succinate
分子名称: 1,2-ETHANEDIOL, GH14974p, MAGNESIUM ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXJ
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BU of 7yxj by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXL
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BU of 7yxl by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-phenylalanine (NOFD)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GH14974p, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXG
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BU of 7yxg by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2OG
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, GH14974p, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXK
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BU of 7yxk by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-alanine (NODA)
分子名称: (2~{R})-2-(carboxycarbonylamino)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
4RHZ
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BU of 4rhz by Molmil
Crystal structure of Cry23Aa1 and Cry37Aa1 binary protein complex
分子名称: CALCIUM ION, Cry23AA1, Cry37AA1, ...
著者Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A.
登録日2014-10-03
公開日2015-10-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling.
To be Published
6OVB
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BU of 6ovb by Molmil
Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant
分子名称: Active core crystal toxin protein 1D
著者Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C.
登録日2019-05-07
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
1TAS
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BU of 1tas by Molmil
CRYSTALLINE MITOCHONDRIAL ASPARTATE AMINOTRANSFERASE EXISTS IN ONLY TWO CONFORMATIONS
分子名称: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, ASPARTATE AMINOTRANSFERASE
著者Hohenester, E, Jansonius, J.N.
登録日1993-10-04
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystalline mitochondrial aspartate aminotransferase exists in only two conformations.
J.Mol.Biol., 236, 1994
6OS4
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BU of 6os4 by Molmil
Calmodulin in complex with farnesyl cysteine methyl ester
分子名称: CALCIUM ION, Calmodulin-1, s-farnesyl-l-cysteine methyl ester
著者Grant, B.M.M, Enomoto, M, Lee, K.Y, Back, S.I, Gebregiworgis, T, Ishiyama, N, Ikura, M, Marshall, C.
登録日2019-05-01
公開日2020-04-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Calmodulin disrupts plasma membrane localization of farnesylated KRAS4b by sequestering its lipid moiety.
Sci.Signal., 13, 2020
1EAG
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BU of 1eag by Molmil
Secreted aspartic proteinase (SAP2) from Candida albicans complexed with A70450
分子名称: ASPARTIC PROTEINASE (SAP2 GENE PRODUCT), N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hydroxy-5-methylhexyl]-L-norleucinamide
著者Cutfield, J.F, Cutfield, S.M.
登録日1996-05-31
公開日1996-12-23
最終更新日2012-01-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of a major secreted aspartic proteinase from Candida albicans in complexes with two inhibitors.
Structure, 3, 1995
4X21
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BU of 4x21 by Molmil
The MAP kinase JNK3 as target for halogen bonding
分子名称: CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
著者Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F.
登録日2014-11-25
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
J.Am.Chem.Soc., 137, 2015
1JM4
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BU of 1jm4 by Molmil
NMR Structure of P/CAF Bromodomain in Complex with HIV-1 Tat Peptide
分子名称: HIV-1 Tat Peptide, P300/CBP-associated Factor
著者Mujtaba, S, He, Y, Zeng, L, Farooq, A, Carlson, J.E, Ott, M, Verdin, E, Zhou, M.-M.
登録日2001-07-17
公開日2002-07-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structural basis of lysine-acetylated HIV-1 Tat recognition by PCAF bromodomain
Mol.Cell, 9, 2002
2MSD
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BU of 2msd by Molmil
NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M.
登録日2014-07-29
公開日2015-06-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015

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