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6CRG
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BU of 6crg by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in complex with SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, SULFATE ION, ...
著者Stams, T, Fodor, M.
登録日2018-03-17
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
3B7R
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BU of 3b7r by Molmil
Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, ...
著者Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C.
登録日2007-10-31
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.811 Å)
主引用文献Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
3K8G
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BU of 3k8g by Molmil
Structure of crystal form I of TP0453
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 30kLP
著者Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G.
登録日2009-10-14
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
3K8I
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BU of 3k8i by Molmil
Structure of crystal form IV of TP0453
分子名称: 30kLP
著者Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G.
登録日2009-10-14
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
3B7S
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BU of 3b7s by Molmil
[E296Q]LTA4H in complex with RSR substrate
分子名称: ACETIC ACID, GLYCEROL, Leukotriene A-4 hydrolase, ...
著者Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C.
登録日2007-10-31
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.465 Å)
主引用文献Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
6CRF
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BU of 6crf by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2018-03-17
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
3B7T
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BU of 3b7t by Molmil
[E296Q]LTA4H in complex with Arg-Ala-Arg substrate
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, RAR peptide, ...
著者Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C.
登録日2007-10-31
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
3K8H
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BU of 3k8h by Molmil
Structure of crystal form I of TP0453
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 30kLP
著者Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G.
登録日2009-10-14
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
4YWN
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BU of 4ywn by Molmil
Crystal structure of NADH-FMN oxidoreductase from Mycobacterium avium
分子名称: CITRATE ANION, NADH-fmn oxidoreductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-03-20
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of NADH-FMN oxidoreductase from Mycobacterium avium
To be Published
3K8J
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BU of 3k8j by Molmil
Structure of crystal form III of TP0453
分子名称: 30kLP
著者Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G.
登録日2009-10-14
公開日2010-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
6BN5
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BU of 6bn5 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2
分子名称: 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R.
登録日2017-11-16
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
Bioorg. Med. Chem., 25, 2017
4J6V
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BU of 4j6v by Molmil
Crystal Structure of Tyrosinase from Bacillus megaterium N205D mutant
分子名称: COPPER (II) ION, Tyrosinase
著者Kanteev, M, Goldfeder, M, Adir, N, Fishman, A.
登録日2013-02-12
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The mechanism of copper uptake by tyrosinase from Bacillus megaterium.
J.Biol.Inorg.Chem., 18, 2013
4J6T
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BU of 4j6t by Molmil
Crystal Structure of Tyrosinase from Bacillus megaterium F197A mutant
分子名称: COPPER (II) ION, Tyrosinase
著者Kanteev, M, Goldfeder, M, Adir, N, Fishman, A.
登録日2013-02-12
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The mechanism of copper uptake by tyrosinase from Bacillus megaterium.
J.Biol.Inorg.Chem., 18, 2013
4OXF
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BU of 4oxf by Molmil
Structure of ECP in complex with citrate ions at 1.50 Angstroms
分子名称: CITRIC ACID, Eosinophil cationic protein, FE (III) ION
著者Blanco, J.A, Boix, E, Moussaoui, M, Salazar, V.A.
登録日2014-02-05
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of ECP in complex with citrate ions at 1.50 Angstroms
To be published
4J6U
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BU of 4j6u by Molmil
Crystal Structure of Tyrosinase from Bacillus megaterium N205A mutant
分子名称: Tyrosinase
著者Kanteev, M, Goldfeder, M, Adir, N, Fishman, A.
登録日2013-02-12
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The mechanism of copper uptake by tyrosinase from Bacillus megaterium.
J.Biol.Inorg.Chem., 18, 2013
5DN5
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BU of 5dn5 by Molmil
Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ
分子名称: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ...
著者Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
登録日2015-09-09
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
4CIK
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BU of 4cik by Molmil
plasminogen kringle 1 in complex with inhibitor
分子名称: 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN
著者Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D.
登録日2013-12-10
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction.
Acs Med.Chem.Lett., 5, 2014
8CHF
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BU of 8chf by Molmil
cryo-EM Structure of Craf:14-3-3:Mek1
分子名称: 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Dedden, D, Ulrich, G.
登録日2023-02-07
公開日2024-02-21
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
7V62
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BU of 7v62 by Molmil
Crystal structure of human OSBP ORD in complex with cholesterol
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHOLESTEROL, CITRIC ACID, ...
著者Kobayashi, J, Kato, R.
登録日2021-08-19
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Ligand Recognition by the Lipid Transfer Domain of Human OSBP Is Important for Enterovirus Replication.
Acs Infect Dis., 8, 2022
5I6Q
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BU of 5i6q by Molmil
Crystal structure of color device state B
分子名称: DNA (26-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*GP*TP*GP*GP*TP*AP*TP*C)-3'), DNA (5'-D(*CP*AP*GP*AP*TP*AP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*TP*AP*CP*G)-3'), ...
著者Hao, Y, Birktoft, J, Seeman, N.C.
登録日2016-02-16
公開日2017-01-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.912 Å)
主引用文献A device that operates within a self-assembled 3D DNA crystal.
Nat Chem, 9, 2017
8CPO
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BU of 8cpo by Molmil
Crystal structure of the PolB16_OarG intein variant S1A, N183A, C111A, C165A
分子名称: PolB16 Intein Cys-less
著者Kattelmann, S, Pasch, T, Mootz, H.D, Kuemmel, D.
登録日2023-03-03
公開日2023-05-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
8CPN
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BU of 8cpn by Molmil
Crystal structure of the PolB16_OarG intein variant S1A, N183A
分子名称: IODIDE ION, PolB16 intein
著者Kattelmann, S, Pasch, T, Mootz, H.D, Kummel, D.
登録日2023-03-03
公開日2023-05-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
5YJE
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BU of 5yje by Molmil
Crystal structure of HIRA(644-1017)
分子名称: Protein HIRA, SULFATE ION
著者Sato, Y, Senda, M, Senda, T.
登録日2017-10-10
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional activity of the H3.3 histone chaperone complex HIRA requires trimerization of the HIRA subunit
Nat Commun, 9, 2018
5IWD
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BU of 5iwd by Molmil
HCMV DNA polymerase subunit UL44 complex with a small molecule
分子名称: 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor
著者Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
登録日2016-03-22
公開日2016-11-30
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
3SBD
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BU of 3sbd by Molmil
Crystal structure of RAC1 P29S mutant
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2011-06-03
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012

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