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PDB: 111 件

4Y7R
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BU of 4y7r by Molmil
Crystal structure of WDR5 in complex with MYC MbIIIb peptide
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ...
著者Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P.
登録日2015-02-16
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
4WVF
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BU of 4wvf by Molmil
Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1
分子名称: (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Sun, Q, Chook, Y.
登録日2014-11-05
公開日2015-07-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination.
Nat.Neurosci., 18, 2015
6OYY
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BU of 6oyy by Molmil
Crystal structure of Mtb aspartate decarboxylase, pyrazinoic acid complex
分子名称: Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, PYRAZINE-2-CARBOXYLIC ACID
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-15
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6P02
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BU of 6p02 by Molmil
Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex
分子名称: 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-16
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6OZ8
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BU of 6oz8 by Molmil
Crystal structure of Mtb aspartate decarboxylase in active form
分子名称: Aspartate 1 decarboxylase alpha chain, Aspartate 1 decarboxylase beta chain
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-15
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6P1Y
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BU of 6p1y by Molmil
Crystal structure of Mtb aspartate decarboxylase mutant M117I
分子名称: AMMONIUM ION, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, ...
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-20
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
3ELP
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BU of 3elp by Molmil
Structure of cystationine gamma lyase
分子名称: Cystathionine gamma-lyase
著者Sun, Q, Sivaraman, J.
登録日2008-09-23
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
3HC7
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BU of 3hc7 by Molmil
Crystal structure of lysin B from Mycobacteriophage D29
分子名称: Gene 12 protein
著者Sun, Q, Sacchettini, J.C.
登録日2009-05-05
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycobacteriophage Lysin B is a novel mycolylarabinogalactan esterase
Mol.Microbiol., 73, 2009
3HDF
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BU of 3hdf by Molmil
Crystal structure of truncated endolysin R21 from phage 21
分子名称: GLYCEROL, Lysozyme, NITRATE ION
著者Sun, Q, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
3HDE
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BU of 3hde by Molmil
Crystal structure of full-length endolysin R21 from phage 21
分子名称: Lysozyme
著者Sun, Q, Arockiasamy, A, McKee, E, Caronna, E, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
5WFO
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BU of 5wfo by Molmil
Ligand-bound Ras:SOS:Ras complex
分子名称: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFP
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BU of 5wfp by Molmil
Ligand-bound Ras:SOS:Ras complex
分子名称: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
7CND
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BU of 7cnd by Molmil
NCI-1 in complex with CRM1-Ran-RanBP1
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2020-07-31
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
4EPY
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BU of 4epy by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPR
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BU of 4epr by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPW
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BU of 4epw by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPV
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BU of 4epv by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: 2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPT
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BU of 4ept by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: (2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPX
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BU of 4epx by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4GMX
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BU of 4gmx by Molmil
Crystal structure of KPT185 in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-08-16
公開日2012-10-17
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective inhibitors of nuclear export show that CRM1/XPO1 is a target in chronic lymphocytic leukemia.
Blood, 120, 2012
4HAW
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BU of 4haw by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548A)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HB4
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BU of 4hb4 by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(537DLTVK541/GLCEQ)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HAZ
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BU of 4haz by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(R543S,K548E,K579Q)-Ran-RanBP1
分子名称: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HB3
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BU of 4hb3 by Molmil
Crystal structure of CRM1(T539S)-Ran-RanBP1 with weakly bound unmodeled Leptomycin B
分子名称: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HAY
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BU of 4hay by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548E,K579Q)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013

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