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7S5B
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BU of 7s5b by Molmil
Unbound State of a De novo designed Protein Binder to the Human Interleukin-7 Receptor
分子名称: Miniprotein Binder
著者Walsh, S.T.R, Cao, L, Baker, D.
登録日2021-09-10
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
8ELG
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BU of 8elg by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus
分子名称: ACETATE ION, Beta-2-microglobulin, NQK-OC43 peptide, ...
著者Murdolo, L.D, Gras, S.
登録日2022-09-24
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
8ELH
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BU of 8elh by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Murdolo, L.D, Gras, S.
登録日2022-09-24
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
3FVH
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BU of 3fvh by Molmil
Polo-like kinase 1 Polo box domain in complex with Ac-LHSpTA-NH2 peptide
分子名称: Acetyl-Leu-His-Ser-phosphoThr-Ala-NH2 peptide, Serine/threonine-protein kinase PLK1
著者Lim, D.C, Yaffe, M.B.
登録日2009-01-15
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1
Nat.Struct.Mol.Biol., 16, 2009
8GSV
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BU of 8gsv by Molmil
Crystal structure of human BAK in complex with the Pxt1 BH3 domain
分子名称: Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1
著者Lim, D, Ku, B.
登録日2022-09-07
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1.
Plos Biol., 21, 2023
8HTG
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BU of 8htg by Molmil
Crystal structure of Golf in complex with GTP-gamma S and Mg
分子名称: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(olf) subunit alpha, ...
著者Kang, H, Choi, H.-J.
登録日2022-12-21
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
8HTI
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BU of 8hti by Molmil
Human Consensus Olfactory Receptor OR52c in Complex with Octanoic Acid (OCA) and G Protein
分子名称: Consensus Olfactory Receptor OR52c, 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Choi, C.W, Bae, J, Choi, H.-J, Kim, J.
登録日2022-12-21
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
7KID
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BU of 7kid by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
分子名称: (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
著者Palte, R.L.
登録日2020-10-23
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIC
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PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34
分子名称: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
著者Palte, R.L.
登録日2020-10-23
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIB
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PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
分子名称: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Palte, R.L, Hayes, R.P.
登録日2020-10-23
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5XJG
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BU of 5xjg by Molmil
Crystal structure of Vac8p bound to Nvj1p
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Nucleus-vacuole junction protein 1, ...
著者Jeong, H, Park, J, Jun, Y, Lee, C.
登録日2017-05-01
公開日2017-06-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic insight into the nucleus-vacuole junction based on the Vac8p-Nvj1p crystal structure.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8ATK
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BU of 8atk by Molmil
The SH2 domain of mouse SH2B1
分子名称: SH2B adapter protein 1
著者Fowler, N.J, Williamson, M.P, Albalwi, M.F.
登録日2022-08-23
公開日2023-05-24
最終更新日2023-08-16
実験手法SOLUTION NMR
主引用文献Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: The SH2 domain of SH2B1.
Structure, 31, 2023
2YZA
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BU of 2yza by Molmil
Crystal structure of kinase domain of Human 5'-AMP-activated protein kinase alpha-2 subunit mutant (T172D)
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2
著者Saijo, S, Takagi, T, Yoshikawa, S, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-04
公開日2008-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
3AQV
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BU of 3aqv by Molmil
Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
著者Handa, N, Takagi, T, Saijo, S, Kishishita, S, Toyama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-11-19
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
登録日2012-09-19
公開日2013-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
5YC8
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BU of 5yc8 by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS (Hg-derivative)
分子名称: MERCURY (II) ION, Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
著者Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
登録日2017-09-06
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZK8
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BU of 5zk8 by Molmil
Crystal structure of M2 muscarinic acetylcholine receptor bound with NMS
分子名称: Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
著者Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
登録日2018-03-23
公開日2018-11-21
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
7STL
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BU of 7stl by Molmil
Chitin Synthase 2 from Candida albicans at the apo state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase
著者Ren, Z, Chhetri, A, Lee, S, Yokoyama, K.
登録日2021-11-14
公開日2022-07-13
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
7STO
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BU of 7sto by Molmil
Chitin Synthase 2 from Candida albicans bound to polyoxin D
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name), Chitin synthase
著者Ren, Z, Chhetri, A, Lee, S, Yokoyama, K.
登録日2021-11-14
公開日2022-07-13
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
7STN
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Chitin Synthase 2 from Candida albicans bound to Nikkomycin Z
分子名称: (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase
著者Ren, Z, Chhetri, A, Lee, S, Yokoyama, K.
登録日2021-11-14
公開日2022-07-13
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
7STM
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BU of 7stm by Molmil
Chitin Synthase 2 from Candida albicans bound to UDP-GlcNAc
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase, MAGNESIUM ION, ...
著者Ren, Z, Chhetri, A, Lee, S, Yokoyama, K.
登録日2021-11-14
公開日2022-07-13
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
5ZKB
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BU of 5zkb by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with AF-DX 384
分子名称: Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
著者Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
登録日2018-03-23
公開日2018-11-21
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZKC
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Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS
分子名称: Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
著者Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
登録日2018-03-23
公開日2018-11-21
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZK3
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BU of 5zk3 by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with QNB
分子名称: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2
著者Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
登録日2018-03-23
公開日2018-11-21
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
3MYG
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BU of 3myg by Molmil
Aurora A Kinase complexed with SCH 1473759
分子名称: 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL
著者Hruza, A, Prosis, W, Ramanathan, L.
登録日2010-05-10
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core.
ACS Med Chem Lett, 1, 2010

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