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5CSB
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BU of 5csb by Molmil
The crystal structure of beta2-microglobulin D76N mutant at room temperature
分子名称: Beta-2-microglobulin
著者de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S.
登録日2015-07-23
公開日2016-08-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
5D7L
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BU of 5d7l by Molmil
Structure of human MR1-5-OP-RU in complex with human MAV36 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, MAV36 TCR Alpha Chain, ...
著者Keller, A.N, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
6EXZ
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BU of 6exz by Molmil
Crystal structure of Mex67 C-term
分子名称: FORMIC ACID, mRNA export factor MEX67
著者Mohamad, N, Bravo, J.
登録日2017-11-10
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mip6 binds directly to the Mex67 UBA domain to maintain low levels of Msn2/4 stress-dependent mRNAs.
Embo Rep., 2019
7P7R
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BU of 7p7r by Molmil
PoxtA-EQ2 antibiotic resistance ABCF bound to E. faecalis 70S ribosome, state I
分子名称: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
著者Crowe-McAuliffe, C, Wilson, D.N.
登録日2021-07-20
公開日2022-03-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
5CS7
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BU of 5cs7 by Molmil
The crystal structure of wt beta2-microglobulin at room temperature
分子名称: Beta-2-microglobulin
著者de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S.
登録日2015-07-23
公開日2016-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
7S5A
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BU of 7s5a by Molmil
Crystal structure of human chemokine CCL8
分子名称: C-C motif chemokine 8
著者Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-10
公開日2021-09-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
9L2E
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BU of 9l2e by Molmil
Structure of SARM1 bound to M1 in the intermediate state 2
分子名称: NAD(+) hydrolase SARM1
著者Huang, Y, Zhang, J, Zheng, S, Wang, X.
登録日2024-12-17
公開日2025-03-12
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Stepwise Activation of SARM1 For Cell Death and Axon Degeneration Revealed by a Biosynthetic NMN Mimic
To Be Published
5D90
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BU of 5d90 by Molmil
Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to promoter DNA
分子名称: MerR family regulator protein
著者Counago, R.M, Chang, C.W, Kobe, B.
登録日2015-08-18
公開日2016-06-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of thiol-based regulation of formaldehyde detoxification in H. influenzae by a MerR regulator with no sensor region.
Nucleic Acids Res., 44, 2016
5D2L
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BU of 5d2l by Molmil
Crystal structure of TCR C7 in complex with HCMV NLV epitope presented by HLA-A2
分子名称: ASN-LEU-VAL-PRO-MET-VAL-ALA-THR-VAL, Beta-2-microglobulin, C7 TCR alpha chain, ...
著者Gao, M, Mariuzza, R.A.
登録日2015-08-05
公開日2015-10-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.511 Å)
主引用文献Structural Basis for Clonal Diversity of the Public T Cell Response to a Dominant Human Cytomegalovirus Epitope.
J.Biol.Chem., 290, 2015
9N3R
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BU of 9n3r by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG462
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2025-01-31
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3N
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BU of 9n3n by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 3
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2025-01-31
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3O
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BU of 9n3o by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 14
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2025-01-31
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3Q
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BU of 9n3q by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 51
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
著者Whittington, D.A.
登録日2025-01-31
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9MGM
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BU of 9mgm by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and compound 24
分子名称: 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-{6-[(1-methyl-1H-pyrazol-5-yl)methoxy]-3,4-dihydroisoquinolin-2(1H)-yl}propyl]pyridine-4-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
著者Whittington, D.A.
登録日2024-12-11
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
9N3P
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BU of 9n3p by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 30
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2025-01-31
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9L2D
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BU of 9l2d by Molmil
Structure of SARM1 bound to M1 in the intermediate state 1
分子名称: NAD(+) hydrolase SARM1, [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
著者Huang, Y, Zhang, J, Zheng, S, Wang, X.
登録日2024-12-17
公開日2025-03-12
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Stepwise Activation of SARM1 by a Biosynthetic NMN mimic
To Be Published
5D7I
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BU of 5d7i by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, M33.64 TCR Alpha Chain, ...
著者Keller, A.N, Woolley, R.E, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
9MGL
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BU of 9mgl by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and GSK3326595
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
著者Whittington, D.A.
登録日2024-12-11
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
9MGP
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BU of 9mgp by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and compound 46a
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2024-12-11
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
5D0B
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BU of 5d0b by Molmil
Crystal structure of epoxyqueuosine reductase with a tRNA-TYR epoxyqueuosine-modified tRNA stem loop
分子名称: COBALAMIN, Epoxyqueuosine reductase, GLYCEROL, ...
著者Dowling, D.P, Miles, Z.D, Kohrer, C, Bandarian, V, Drennan, C.L.
登録日2015-08-03
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Molecular basis of cobalamin-dependent RNA modification.
Nucleic Acids Res., 44, 2016
9L2G
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BU of 9l2g by Molmil
Structure of SARM1 2C-mutant bound to M1
分子名称: NAD(+) hydrolase SARM1, [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
著者Huang, Y, Zhang, J, Zheng, S, Wang, X.
登録日2024-12-17
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Stepwise Activation of SARM1 by a Biosynthetic NMN mimic
To Be Published
5D5M
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BU of 5d5m by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
登録日2015-08-11
公開日2016-01-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
9L2F
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BU of 9l2f by Molmil
Structure of SARM1 bound to M1 and 1AD in the active state
分子名称: NAD(+) hydrolase SARM1, [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
著者Huang, Y, Zhang, J, Zheng, S, Wang, X.
登録日2024-12-17
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Stepwise Activation of SARM1 by a Biosynthetic NMN mimic
To Be Published
5D8C
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BU of 5d8c by Molmil
Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to promoter DNA
分子名称: DNA (5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*GP*AP*AP*CP*TP*CP*TP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*TP*CP*AP*CP*TP*CP*TP*AP*AP*G)-3'), MerR family regulator protein
著者Counago, R.M, Chang, C.W, Chen, N.H, Djoko, K.Y, McEwan, A.G, Kobe, B.
登録日2015-08-17
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of thiol-based regulation of formaldehyde detoxification in H. influenzae by a MerR regulator with no sensor region.
Nucleic Acids Res., 44, 2016
4Y2A
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BU of 4y2a by Molmil
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
分子名称: 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
著者Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015

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