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4U44
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BU of 4u44 by Molmil
MAP4K4 in complex with inhibitor (compound 16)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
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 (2.43 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
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
4U45
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BU of 4u45 by Molmil
MAP4K4 in complex with inhibitor (compound 25)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ...
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 (2.58 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
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
分子名称: Xylanase
著者Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
登録日2021-01-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
6UY0
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BU of 6uy0 by Molmil
Cryo-EM structure of wild-type bovine multidrug resistance protein 1 (MRP1) under active turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Johnson, Z.L, Chen, J.
登録日2019-11-09
公開日2020-06-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Characterization of the kinetic cycle of an ABC transporter by single-molecule and cryo-EM analyses.
Elife, 9, 2020
4J6O
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BU of 4j6o by Molmil
Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP
分子名称: CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ...
著者Wang, L, Smith, P, Shuman, S.
登録日2013-02-11
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
分子名称: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
著者Zhuang, L.
登録日2023-09-14
公開日2024-01-31
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
3DBZ
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BU of 3dbz by Molmil
human surfactant protein D
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Head, J.F.
登録日2008-06-02
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of recombinant surfactant protein D with lipopolysaccharide: conformation and orientation of bound protein by IRRAS and simulations.
Biochemistry, 47, 2008
7TYJ
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BU of 7tyj by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was focused on one of two halves with C1 symmetry applied
分子名称: Insulin receptor-related protein
著者Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
登録日2022-02-13
公開日2023-02-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
7TYK
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BU of 7tyk by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was applied with C2 symmetry
分子名称: Insulin receptor-related protein
著者Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
登録日2022-02-13
公開日2023-02-15
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
7TYM
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BU of 7tym by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in active-state captured at pH 9. The 3D refinement was applied with C2 symmetry
分子名称: Insulin receptor-related protein
著者Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
登録日2022-02-13
公開日2023-02-15
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
3OQ9
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BU of 3oq9 by Molmil
Structure of the FAS/FADD death domain assembly
分子名称: Protein FADD, Tumor necrosis factor receptor superfamily member 6
著者Kabaleeswaran, V, Wu, H.
登録日2010-09-02
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (6.8 Å)
主引用文献The Fas-FADD death domain complex structure reveals the basis of DISC assembly and disease mutations.
Nat.Struct.Mol.Biol., 17, 2010
7LRT
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BU of 7lrt by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 spike glycoprotein, ...
著者Zhou, T, Tsybovsky, T.
登録日2021-02-17
公開日2021-07-14
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7LRS
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BU of 7lrs by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
分子名称: Spike glycoprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, antibody A23-58.1 heavy chain, ...
著者Zhou, T, Tsybovsky, Y.
登録日2021-02-17
公開日2021-07-14
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7CBZ
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BU of 7cbz by Molmil
Crystal structure of T2R-TTL-A31 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ...
著者Yang, J.H, Yan, W.
登録日2020-06-15
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
6L5T
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BU of 6l5t by Molmil
The crystal structure of SADS-CoV Papain Like protease
分子名称: Peptidase C16, ZINC ION
著者Fan, C.P.
登録日2019-10-24
公開日2020-04-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural and biochemical characterization of SADS-CoV papain-like protease 2.
Protein Sci., 29, 2020
7L8O
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BU of 7l8o by Molmil
OXA-48 bound by Compound 4.3
分子名称: 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-12-31
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
3J9B
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BU of 3j9b by Molmil
Electron cryo-microscopy of an RNA polymerase
分子名称: Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ...
著者Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F.
登録日2014-12-16
公開日2015-02-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
7MMO
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BU of 7mmo by Molmil
LY-CoV1404 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2021-04-30
公開日2021-05-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.427 Å)
主引用文献LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
4ANW
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BU of 4anw by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
分子名称: 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
著者Foster, P.G, Lougheed, J.C.
登録日2012-03-22
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
7LF6
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BU of 7lf6 by Molmil
Structure of lysosomal membrane protein
分子名称: Endosomal/lysosomal potassium channel TMEM175
著者Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H.
登録日2021-01-15
公開日2022-01-26
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献pH regulates potassium conductance and drives a constitutive proton current in human TMEM175.
Sci Adv, 8, 2022
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
分子名称: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-07-31
公開日2018-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9W
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Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
著者Judge, R.A, Hobson, A.D.
登録日2018-08-08
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018

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