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1UU7
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BU of 1uu7 by Molmil
Structure of human PDK1 kinase domain in complex with BIM-2
分子名称: 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ...
著者Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-12-16
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UPR
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BU of 1upr by Molmil
Crystal structure of the PEPP1 pleckstrin homology domain in complex with Inositol 1,3,4,5-tetrakisphosphate
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, PLECKSTRIN HOMOLOGY DOMAIN-CONTAINING FAMILY A MEMBER 4
著者Milburn, C.C, Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-10-10
公開日2004-10-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structure of the Pleckstrin Homology Domain of Pepp1
To be Published
1UVR
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BU of 1uvr by Molmil
Structure of human PDK1 kinase domain in complex with BIM-8
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
著者Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-01-22
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UPL
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BU of 1upl by Molmil
Crystal structure of MO25 alpha
分子名称: MO25 PROTEIN
著者Milburn, C.C, Boudeau, J, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-10-07
公開日2004-01-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Mo25 Alpha in Complex with the C-Terminus of the Pseudo Kinase Ste-20 Related Adaptor (Strad)
Nat.Struct.Mol.Biol., 11, 2004
1UU3
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BU of 1uu3 by Molmil
Structure of human PDK1 kinase domain in complex with LY333531
分子名称: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ...
著者Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-12-15
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UPQ
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BU of 1upq by Molmil
Crystal structure of the pleckstrin homology (PH) domain of PEPP1
分子名称: PEPP1, SULFATE ION
著者Milburn, C.C, Komander, D, Deak, M, Alessi, D.R, van Aalten, D.M.F.
登録日2003-10-09
公開日2004-10-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of the Pleckstrin Homology Domain of Pepp1
To be Published
1UPK
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BU of 1upk by Molmil
Crystal structure of MO25 in complex with a C-terminal peptide of STRAD
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MO25 PROTEIN, STE-20 RELATED ADAPTOR
著者Milburn, C.C, Boudeau, J, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-10-07
公開日2004-01-22
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Mo25 Alpha in Complex with the C-Terminus of the Pseudo Kinase Ste-20 Related Adaptor (Strad)
Nat.Struct.Mol.Biol., 11, 2004
1UU8
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BU of 1uu8 by Molmil
Structure of human PDK1 kinase domain in complex with BIM-1
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-12-16
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
8FO8
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BU of 8fo8 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 dimer state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
著者Zhu, H, Sun, J.
登録日2022-12-29
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8SMC
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BU of 8smc by Molmil
Cryo-EM structure of LRRK2 bound with type-I inhibitor DNL201
分子名称: 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, GUANOSINE-5'-DIPHOSPHATE, non-specific serine/threonine protein kinase
著者Sun, J, Zhu, H.
登録日2023-04-26
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
2WTK
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BU of 2wtk by Molmil
Structure of the heterotrimeric LKB1-STRADalpha-MO25alpha complex
分子名称: CALCIUM-BINDING PROTEIN 39, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE 11, ...
著者Zeqiraj, E, van Aalten, D.M.F.
登録日2009-09-16
公開日2009-12-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the Lkb1-Strad-Mo25 Complex Reveals an Allosteric Mechanism of Kinase Activation.
Science, 326, 2009
6CIS
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BU of 6cis by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047
分子名称: 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CIY
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BU of 6ciy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069
分子名称: 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CD4
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BU of 6cd4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046
分子名称: 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Xu, X, Blacklow, S.C.
登録日2018-02-08
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CD5
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BU of 6cd5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26
分子名称: 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-08
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CJ2
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BU of 6cj2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056
分子名称: 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Xu, X, Blacklow, S.C.
登録日2018-02-26
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
Acs Chem.Biol., 13, 2018
6CJ1
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BU of 6cj1 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071
分子名称: 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
5UQX
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BU of 5uqx by Molmil
USP7 in complex with GNE6776 (6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide)
分子名称: 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2017-02-08
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
6DLO
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BU of 6dlo by Molmil
Crystal structure of LRRK2 WD40 domain dimer
分子名称: Leucine-rich repeat serine/threonine-protein kinase 2
著者Zhang, P, Ru, H, Wang, L, Wu, H.
登録日2018-06-02
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the WD40 domain dimer of LRRK2.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5WA5
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BU of 5wa5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50
分子名称: 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Xu, X, Blacklow, S.C.
登録日2017-06-24
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.172 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6DLP
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BU of 6dlp by Molmil
Crystal structure of LRRK2 WD40 domain dimer
分子名称: Leucine-rich repeat serine/threonine-protein kinase 2, PLATINUM (II) ION
著者Zhang, P, Ru, H, Wang, L, Wu, H.
登録日2018-06-02
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of the WD40 domain dimer of LRRK2.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, Laughlin, J.D, LoGrasso, P.V.
登録日2011-12-20
公開日2012-02-01
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, LoGrasso, P.V, Laughlin, J.D.
登録日2011-12-20
公開日2012-02-01
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
8FO2
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BU of 8fo2 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 monomer state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
著者Zhu, H, Sun, J.
登録日2022-12-29
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (4.13 Å)
主引用文献Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8FO9
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BU of 8fo9 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 tetramer state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
著者Zhu, H, Sun, J.
登録日2022-12-30
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023

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