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8I5B
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BU of 8i5b by Molmil
Structure of human Nav1.7 in complex with bupivacaine
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-24
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5Y
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BU of 8i5y by Molmil
Structure of human Nav1.7 in complex with vixotrigine
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-26
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5G
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BU of 8i5g by Molmil
Structure of human Nav1.7 in complex with PF-05089771
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-25
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8J4F
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BU of 8j4f by Molmil
Structure of human Nav1.7 in complex with Hardwickii acid
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Wu, Q.R, Yan, N.
登録日2023-04-19
公開日2023-06-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
4MCB
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BU of 4mcb by Molmil
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ...
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
5IQ7
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BU of 5iq7 by Molmil
Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide.
分子名称: 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide
著者Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D.
登録日2016-03-10
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2869 Å)
主引用文献Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design.
J.Virol., 90, 2016
4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
著者Lahiri, S.
登録日2013-08-21
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4MCC
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BU of 4mcc by Molmil
HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
7LZ4
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BU of 7lz4 by Molmil
Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed
著者Del Rio, J, Wu, J, Taylor, S.S.
登録日2021-03-08
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.155 Å)
主引用文献Noncanonical protein kinase A activation by oligomerization of regulatory subunits as revealed by inherited Carney complex mutations.
Proc.Natl.Acad.Sci.USA, 118, 2021
7V1N
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BU of 7v1n by Molmil
Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI
分子名称: Isoform Beta of Tissue factor pathway inhibitor, Toxin B
著者Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L.
登録日2021-08-05
公開日2022-02-23
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile.
Cell, 185, 2022
5IQ9
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BU of 5iq9 by Molmil
Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide.
分子名称: 10E8v4 Heavy Chain, 10E8v4 Light Chain, gp41 MPER peptide
著者Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D.
登録日2016-03-10
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design.
J.Virol., 90, 2016
8V2E
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BU of 8v2e by Molmil
Crystal structure of B055 scaffold boost immunogen in complex with a mature 10E8 Fab
分子名称: 10E8 EPITOPE SCAFFOLD B055, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 10E8 FAB HEAVY CHAIN, ...
著者Cho, S.Y, Wilson, I.A.
登録日2023-11-22
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
7SP0
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BU of 7sp0 by Molmil
Crystal structure of human SFPQ L534I mutant in complex with zinc
分子名称: Splicing factor, proline- and glutamine-rich, ZINC ION
著者Lee, M.
登録日2021-11-01
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Familial ALS-associated SFPQ variants promote the formation of SFPQ cytoplasmic aggregates in primary neurons.
Open Biology, 12, 2022
7CH1
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BU of 7ch1 by Molmil
The overall structure of SLC26A9
分子名称: CHLORIDE ION, SODIUM ION, Solute carrier family 26 member 9
著者Chi, X.M, Chen, Y, Li, X.R, Zhang, Y.Y, Zhou, Q.
登録日2020-07-03
公開日2020-08-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural insights into the gating mechanism of human SLC26A9 mediated by its C-terminal sequence.
Cell Discov, 6, 2020
7UR4
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BU of 7ur4 by Molmil
Cryo-EM Structure of the Neutralizing Antibody MPV467 in Complex with Prefusion Human Metapneumovirus F Glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MPV467 Fab Heavy chain, ...
著者Rush, S.A, McLellan, J.S.
登録日2022-04-21
公開日2022-06-08
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural basis for ultrapotent antibody-mediated neutralization of human metapneumovirus.
Proc.Natl.Acad.Sci.USA, 119, 2022
7E8I
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BU of 7e8i by Molmil
Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin
分子名称: BRCA1-associated RING domain protein 1, DNA (145-MER), Histone H2A, ...
著者Dai, Y, Dai, L, Zhou, Z.
登録日2021-03-01
公開日2021-06-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin.
Mol.Cell, 81, 2021
5V0Y
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BU of 5v0y by Molmil
Solution structure of arenicin-3.
分子名称: arenicin-3
著者Edwards, I.A, Mobli, M.
登録日2017-02-28
公開日2018-08-08
最終更新日2020-06-10
実験手法SOLUTION NMR
主引用文献An amphipathic peptide with antibiotic activity against multidrug-resistant Gram-negative bacteria
Nat Commun, 2020
7Y99
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BU of 7y99 by Molmil
Crystal Structure Analysis of cp2 bound BCLxl
分子名称: Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
著者Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
登録日2022-06-24
公開日2023-09-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YAA
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BU of 7yaa by Molmil
Crystal structure analysis of cp3 bound BCLxl
分子名称: Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ...
著者Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
登録日2022-06-27
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7Y90
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BU of 7y90 by Molmil
Crystal Structure Analysis of cp1 bound BCL2
分子名称: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
著者Li, F.W.
登録日2022-06-24
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7Y8D
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BU of 7y8d by Molmil
Crystal structure of cp1 bound BCLxl
分子名称: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide
著者Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
登録日2022-06-23
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YA5
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Crystal structure analysis of cp1 bound BCL2/G101V
分子名称: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
著者Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
登録日2022-06-27
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YB7
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BU of 7yb7 by Molmil
anti-apoptotic protein BCL-2-M12
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide
著者Li, F.W, Liu, C, Wu, D.L.
登録日2022-06-29
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024

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