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PDB: 20 件
2WFJ
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Atomic resolution crystal structure of the PPIase domain of human cyclophilin G in complex with cyclosporin A.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYCLOSPORIN A, ...
著者Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
登録日2009-04-06
公開日2009-06-16
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (0.75 Å)
主引用文献The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction.
Angew.Chem.Int.Ed.Engl., 48, 2009
2X7K
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The crystal structure of PPIL1 in complex with cyclosporine A suggests a binding mode for SKIP
分子名称: CADMIUM ION, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 1, ...
著者Stegmann, C.M, Luehrmann, R, Wahl, M.C.
登録日2010-03-01
公開日2010-03-23
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The Crystal Structure of Ppil1 Bound to Cyclosporine a Suggests a Binding Mode for a Linear Epitope of the Skip Protein.
Plos One, 5, 2010
2XHA
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Crystal Structure of Domain 2 of Thermotoga maritima N-utilization Substance G (NusG)
分子名称: ACETATE ION, TRANSCRIPTION ANTITERMINATION PROTEIN NUSG
著者Stegmann, C.M, Mandal, A, Wahl, M.C.
登録日2010-06-11
公開日2011-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献An Autoinhibited State in the Structure of Thermotoga Maritima Nusg.
Structure, 21, 2013
2WFI
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Atomic resolution crystal structure of the PPIase domain of human cyclophilin G
分子名称: MAGNESIUM ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE G
著者Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
登録日2009-04-06
公開日2009-06-16
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (0.75 Å)
主引用文献The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction
Angew.Chem.Int.Ed.Engl., 48, 2009
2XHC
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Crystal Structure of Thermotoga maritima N-utilization Substance G (NusG)
分子名称: TRANSCRIPTION ANTITERMINATION PROTEIN NUSG
著者Stegmann, C.M, Wahl, M.C.
登録日2010-06-14
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献An Autoinhibited State in the Structure of Thermotoga Maritima Nusg.
Structure, 21, 2013
2ISE
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Botulinum Neurotoxin A Light Chain WT Crystal Form A
分子名称: Neurotoxin BoNT/A, ZINC ION
著者Brunger, A.T, Stegmann, C.M.
登録日2006-10-17
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2ISH
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Botulinum Neurotoxin A Light Chain WT Crystal Form C
分子名称: Neurotoxin BoNT/A, ZINC ION
著者Brunger, A.T, Stegmann, C.M.
登録日2006-10-17
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2QN0
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Structure of Botulinum neurotoxin serotype C1 light chain protease
分子名称: Neurotoxin, ZINC ION
著者Jin, R, Sikorra, S, Stegmann, C.M, Pich, A, Binz, T, Brunger, A.T.
登録日2007-07-17
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical studies of botulinum neurotoxin serotype C1 light chain protease: implications for dual substrate specificity.
Biochemistry, 46, 2007
2LQ8
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Domain interaction in Thermotoga maritima NusG
分子名称: Transcription antitermination protein nusG
著者Droegemueller, J, Stegmann, C, Burmann, B, Roesch, P, Wahl, M.C, Schweimer, K.
登録日2012-02-27
公開日2013-01-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An Autoinhibited State in the Structure of Thermotoga maritima NusG.
Structure, 21, 2013
2ISG
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Botulinum Neurotoxin A Light Chain WT Crystal Form B
分子名称: NICKEL (II) ION, Neurotoxin BoNT/A, ZINC ION
著者Brunger, A.T, Stegmann, C.M.
登録日2006-10-17
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
5IEX
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BU of 5iex by Molmil
Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2
分子名称: (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IF1
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Crystal structure apo CDK2/cyclin A
分子名称: Cyclin-A2, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IEV
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Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2
分子名称: Cyclin-dependent kinase 2, Roniciclib
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IEY
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Crystal structure of a CDK inhibitor bound to CDK2
分子名称: 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
2XHE
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Crystal structure of the Unc18-syntaxin 1 complex from Monosiga brevicollis
分子名称: SYNTAXIN1, UNC18
著者Burkhardt, P, Stegmann, C.M, Wahl, M.C, Fasshauer, D.
登録日2010-06-14
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Primordial Neurosecretory Apparatus Identified in the Choanoflagellate Monosiga Brevicollis.
Proc.Natl.Acad.Sci.USA, 108, 2011
5OVI
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BU of 5ovi by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor BAY-293 (compound 23)
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine, Son of sevenless homolog 1
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5OVF
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BU of 5ovf by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 17
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine, Son of sevenless homolog 1
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5OVE
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Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 1
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine, Son of sevenless homolog 1
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5OVG
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Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18
分子名称: 1,2-ETHANEDIOL, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5OVH
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Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 21
分子名称: 1,2-ETHANEDIOL, Son of sevenless homolog 1, [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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