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4TUM
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BU of 4tum by Molmil
Crystal structure of Ankyrin Repeat Domain of AKR2
分子名称: Ankyrin repeat domain-containing protein 2
著者Gwon, G.H, Cho, Y.
登録日2014-06-24
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Ankyrin Repeat Domain of AKR2 Drives Chloroplast Targeting through Coincident Binding of Two Chloroplast Lipids.
Dev.Cell, 30, 2014
4U8Y
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BU of 4u8y by Molmil
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DODECYL-BETA-D-MALTOSIDE, ...
著者Pos, K.M.
登録日2014-08-05
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB.
Elife, 3, 2014
7S0F
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BU of 7s0f by Molmil
Isoproterenol bound beta1 adrenergic receptor in complex with heterotrimeric Gi protein
分子名称: Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Paknejad, N, Alegre, K.O, Su, M, Lou, J.S, Huang, J, Jordan, K.D, Eng, E.T, Meyerson, J.R, Hite, R.K, Huang, X.Y.
登録日2021-08-30
公開日2021-11-17
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structural basis and mechanism of activation of two different families of G proteins by the same GPCR.
Nat.Struct.Mol.Biol., 28, 2021
7S0G
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BU of 7s0g by Molmil
Isoproterenol bound beta1 adrenergic receptor in complex with heterotrimeric Gi/s chimera protein
分子名称: Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Paknejad, N, Alegre, K.O, Su, M, Lou, J.S, Huang, J, Jordan, K.D, Eng, E.T, Meyerson, J.R, Hite, R.K, Huang, X.Y.
登録日2021-08-30
公開日2021-11-17
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis and mechanism of activation of two different families of G proteins by the same GPCR.
Nat.Struct.Mol.Biol., 28, 2021
4UI6
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BU of 4ui6 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-47
分子名称: 8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI3
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BU of 4ui3 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-26
分子名称: 2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UHG
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BU of 4uhg by Molmil
Crystal structure of human tankyrase 2 in complex with TA-21
分子名称: 2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI5
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BU of 4ui5 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-41
分子名称: 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4U2N
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BU of 4u2n by Molmil
Crystal structure of a complex of the Miz1- and Nac1 POZ domains.
分子名称: Zinc finger and BTB domain-containing protein 17,Nucleus accumbens-associated protein 1
著者Stead, M.A, Wright, S.C.
登録日2014-07-17
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of heterodimeric POZ domains of Miz1/BCL6 and Miz1/NAC1.
Acta Crystallogr.,Sect.F, 70, 2014
4U3J
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BU of 4u3j by Molmil
TOG2:alpha/beta-tubulin complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein STU2, ...
著者Ayaz, P, Rice, L.M.
登録日2014-07-22
公開日2014-08-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献A tethered delivery mechanism explains the catalytic action of a microtubule polymerase.
Elife, 3, 2014
4U3Z
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BU of 4u3z by Molmil
APO MAP4K4 T181E Phosphomimetic Mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U43
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BU of 4u43 by Molmil
MAP4K4 in complex with inhibitor (compound 6)
分子名称: Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U40
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BU of 4u40 by Molmil
Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) Bound to AMPPNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U42
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BU of 4u42 by Molmil
MAP4K4 T181E Mutant Bound to inhibitor compound 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U4C
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BU of 4u4c by Molmil
The molecular architecture of the TRAMP complex reveals the organization and interplay of its two catalytic activities
分子名称: 1,2-ETHANEDIOL, ATP-dependent RNA helicase DOB1, CHLORIDE ION, ...
著者Falk, S, Weir, J.R, Hentschel, J, Reichelt, P, Bonneau, F, Conti, E.
登録日2014-07-23
公開日2014-09-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Molecular Architecture of the TRAMP Complex Reveals the Organization and Interplay of Its Two Catalytic Activities.
Mol.Cell, 55, 2014
4U2M
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BU of 4u2m by Molmil
Crystal structure of a complex of the Miz1- and BCL6 POZ domains.
分子名称: Zinc finger and BTB domain-containing protein 17,B-cell lymphoma 6 protein
著者Stead, M.A, Wright, S.C.
登録日2014-07-17
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structures of heterodimeric POZ domains of Miz1/BCL6 and Miz1/NAC1.
Acta Crystallogr.,Sect.F, 70, 2014
4U6A
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BU of 4u6a by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, ...
著者Oliver, A.W.
登録日2014-07-28
公開日2015-07-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Design and discovery of 3-aryl-5-substituted-isoquinolin-1- ones as potent and selective tankyrase inhibitors
To be published
6S6D
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BU of 6s6d by Molmil
Crystal structure of RagA-Q66L-GTP/RagC-S75N-GDP GTPase heterodimer complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Anandapadamanaban, M, Masson, G.R, Perisic, O, Kaufman, J, Williams, R.L.
登録日2019-07-02
公開日2019-10-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Architecture of human Rag GTPase heterodimers and their complex with mTORC1.
Science, 366, 2019
4UVN
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BU of 4uvn by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-07
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UUH
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BU of 4uuh by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ...
著者Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
登録日2014-07-28
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
6S6A
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BU of 6s6a by Molmil
Crystal structure of RagA-Q66L/RagC-T90N GTPase heterodimer complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Anandapadamanaban, M, Masson, G.R, Perisic, O, Kaufman, J, Williams, R.L.
登録日2019-07-02
公開日2019-10-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Architecture of human Rag GTPase heterodimers and their complex with mTORC1.
Science, 366, 2019
6QYX
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BU of 6qyx by Molmil
p38(alpha) MAP kinase with the activation loop of ERK2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Livnah, O, Eitan-Wexler, M, Vinograd, N.
登録日2019-03-10
公開日2020-04-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
3BMY
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BU of 3bmy by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
分子名称: 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F.
登録日2007-12-13
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
3BND
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BU of 3bnd by Molmil
Lipoxygenase-1 (Soybean), I553V Mutant
分子名称: FE (III) ION, Seed lipoxygenase-1
著者Tomchick, D.R.
登録日2007-12-14
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enzyme structure and dynamics affect hydrogen tunneling: the impact of a remote side chain (I553) in soybean lipoxygenase-1.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3K2R
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BU of 3k2r by Molmil
Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, Lysozyme, ...
著者Toledo Warshaviak, D, Cascio, D, Khramtsov, V.V, Hubbell, W.L.
登録日2009-09-30
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1
To be Published

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件を2024-08-07に公開中

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