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4BV5
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BU of 4bv5 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A)
Authors: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.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
Authors: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.
Deposit date:2013-06-28
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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.
Descriptor: 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ...
Authors: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.
Deposit date:2013-06-28
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Insulin A chain, Insulin B chain
Authors:Wang, L.W, Hall, C, Uchikawa, E, Chen, D.L, Choi, E, Zhang, X.W, Bai, X.C.
Deposit date:2023-04-03
Release date:2023-08-30
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.807 Å)
Cite: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
Descriptor: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, cytoplasmic, ...
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.907 Å)
Cite: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
Descriptor: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
Authors:Chowdhury, R, Markolovic, S, Schofield, C.J.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.173 Å)
Cite:(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
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
Authors:Chowdhury, R, Markolovic, S, Schofield, C.J.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:(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)
Descriptor: 1,2-ETHANEDIOL, GH14974p, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GH14974p, MAGNESIUM ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GH14974p, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, GH14974p, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.641 Å)
Cite: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)
Descriptor: (2~{R})-2-(carboxycarbonylamino)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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
Descriptor: CALCIUM ION, Cry23AA1, Cry37AA1, ...
Authors:Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A.
Deposit date:2014-10-03
Release date:2015-10-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: Active core crystal toxin protein 1D
Authors:Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C.
Deposit date:2019-05-07
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.611 Å)
Cite: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
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, ASPARTATE AMINOTRANSFERASE
Authors:Hohenester, E, Jansonius, J.N.
Deposit date:1993-10-04
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CALCIUM ION, Calmodulin-1, s-farnesyl-l-cysteine methyl ester
Authors:Grant, B.M.M, Enomoto, M, Lee, K.Y, Back, S.I, Gebregiworgis, T, Ishiyama, N, Ikura, M, Marshall, C.
Deposit date:2019-05-01
Release date:2020-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 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
Authors:Cutfield, J.F, Cutfield, S.M.
Deposit date:1996-05-31
Release date:1996-12-23
Last modified:2012-01-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
Authors:Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F.
Deposit date:2014-11-25
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: HIV-1 Tat Peptide, P300/CBP-associated Factor
Authors:Mujtaba, S, He, Y, Zeng, L, Farooq, A, Carlson, J.E, Ott, M, Verdin, E, Zhou, M.-M.
Deposit date:2001-07-17
Release date:2002-07-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M.
Deposit date:2014-07-29
Release date:2015-06-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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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数据于2024-07-10公开中

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