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8DNW
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BU of 8dnw by Molmil
Cryo-EM structure of the human Sec61 complex in a partially-open apo state (Class 2)
分子名称: Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, Protein transport protein Sec61 subunit gamma
著者Park, E, Itskanov, S.
登録日2022-07-12
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
8DO0
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BU of 8do0 by Molmil
Cryo-EM structure of the human Sec61 complex inhibited by mycolactone
分子名称: Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, Protein transport protein Sec61 subunit gamma, ...
著者Park, E, Itskanov, S.
登録日2022-07-12
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
8DO2
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BU of 8do2 by Molmil
Cryo-EM structure of the human Sec61 complex inhibited by cyclotriazadisulfonamide (CADA)
分子名称: 9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ...
著者Park, E, Itskanov, S.
登録日2022-07-12
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
8DO1
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BU of 8do1 by Molmil
Cryo-EM structure of the human Sec61 complex inhibited by ipomoeassin F
分子名称: Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, Protein transport protein Sec61 subunit gamma, ...
著者Park, E, Itskanov, S.
登録日2022-07-12
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
8IFF
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BU of 8iff by Molmil
Cryo-EM structure of Arabidopsis phytochrome A.
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A
著者Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P.
登録日2023-02-17
公開日2023-08-02
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Plant phytochrome A in the Pr state assembles as an asymmetric dimer.
Cell Res., 33, 2023
5VKC
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BU of 5vkc by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
分子名称: 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
著者Judge, R.A, Souers, A.J.
登録日2017-04-21
公開日2017-05-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
5K9J
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BU of 5k9j by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization.
分子名称: 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34)
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-05-31
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
6IPY
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BU of 6ipy by Molmil
His-tagged Fyn SH3 domain R96I mutant
分子名称: Tyrosine-protein kinase Fyn
著者Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
登録日2018-11-05
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.343 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
1RKB
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BU of 1rkb by Molmil
The structure of adrenal gland protein AD-004
分子名称: LITHIUM ION, Protein AD-004, SULFATE ION
著者Ren, H, Liang, Y, Bennett, M, Su, X.D.
登録日2003-11-21
公開日2005-01-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
4HT8
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BU of 4ht8 by Molmil
Crystal structure of E coli Hfq bound to poly(A) A7
分子名称: Protein hfq, RNA (5'-R(*AP*AP*AP*AP*AP*AP*A)-3')
著者Wang, W.W, Wang, L.J.
登録日2012-11-01
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hfq-bridged ternary complex is important for translation activation of rpoS by DsrA.
Nucleic Acids Res., 41, 2013
4HT9
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BU of 4ht9 by Molmil
Crystal structure of E coli Hfq bound to two RNAs
分子名称: Protein hfq, RNA (5'-R(*AP*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(*AP*UP*UP*UP*UP*UP*UP*A)-3')
著者Wang, W.W, Wang, L.J.
登録日2012-11-01
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hfq-bridged ternary complex is important for translation activation of rpoS by DsrA.
Nucleic Acids Res., 41, 2013
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
分子名称: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
5GGZ
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BU of 5ggz by Molmil
Crystal structure of novel inhibitor bound with Hsp90
分子名称: Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
著者Chen, T.T, Li, J, Xu, Y.C.
登録日2016-06-16
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90
J. Med. Chem., 59, 2016
7CYP
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BU of 7cyp by Molmil
Complex of SARS-CoV-2 spike trimer with its neutralizing antibody HB27
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, Heavy chain of HB27, ...
著者Wang, X, Zhu, L.
登録日2020-09-04
公開日2021-06-09
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Double lock of a potent human therapeutic monoclonal antibody against SARS-CoV-2.
Natl Sci Rev, 8, 2021
6E9W
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BU of 6e9w by Molmil
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
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2019-01-16
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
5XVW
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BU of 5xvw by Molmil
Crystal structure of AL2 PAL domain in complex with AtRing1a distal site
分子名称: AtRing1a distal binding site, PHD finger protein ALFIN-LIKE 2
著者Peng, L, Wang, L.L, Huang, Y.
登録日2017-06-28
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Structural Analysis of the Arabidopsis AL2-PAL and PRC1 Complex Provides Mechanistic Insight into Active-to-Repressive Chromatin State Switch
J. Mol. Biol., 430, 2018
6K8I
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BU of 6k8i by Molmil
Crystal structure of Arabidopsis thaliana CRY2
分子名称: Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE
著者Ma, L, Wang, X, Guan, Z, Yin, P.
登録日2019-06-12
公開日2020-05-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.697 Å)
主引用文献Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2.
Nat.Struct.Mol.Biol., 27, 2020
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024

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