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6YCO
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BU of 6yco by Molmil
Crystal structure of GcoA F169S bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
1FUI
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BU of 1fui by Molmil
L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI
分子名称: FUCITOL, L-FUCOSE ISOMERASE, MANGANESE (II) ION, ...
著者Seemann, J.E, Schulz, G.E.
登録日1997-04-14
公開日1997-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and mechanism of L-fucose isomerase from Escherichia coli.
J.Mol.Biol., 273, 1997
6YCJ
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BU of 6ycj by Molmil
Crystal structure of GcoA T296S bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCP
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BU of 6ycp by Molmil
Crystal structure of GcoA F169V bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
8FQC
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BU of 8fqc by Molmil
Structure of baseplate with receptor binding complex of Agrobacterium phage Milano
分子名称: Baseplate Centerpiece, gp25, Baseplate Central Spike, ...
著者Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
登録日2023-01-05
公開日2024-01-31
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
6YCN
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BU of 6ycn by Molmil
Crystal structure of GcoA F169A bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCM
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BU of 6ycm by Molmil
Crystal structure of GcoA T296S bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCI
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BU of 6yci by Molmil
Crystal structure of GcoA T296G bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
8D7Z
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BU of 8d7z by Molmil
Cereblon-DDB1 bound to CC-92480 and Ikaros ZF1-2-3
分子名称: DNA damage-binding protein 1, DNA-binding protein Ikaros, Mezigdomide, ...
著者Watson, E.R, Lander, G.C.
登録日2022-06-07
公開日2022-07-20
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8D80
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BU of 8d80 by Molmil
Cereblon~DDB1 bound to Iberdomide and Ikaros ZF1-2-3
分子名称: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, DNA-binding protein Ikaros, ...
著者Watson, E.R, Lander, G.C.
登録日2022-06-07
公開日2022-07-20
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8V3N
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BU of 8v3n by Molmil
CCP5 in complex with Glu-P-Glu transition state analog
分子名称: (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid, Cytosolic carboxypeptidase-like protein 5, D-MALATE, ...
著者Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
登録日2023-11-28
公開日2024-07-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
8FYZ
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BU of 8fyz by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13)
分子名称: (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8UC8
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BU of 8uc8 by Molmil
HCN1 nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Kim, E.D, Nimigean, C.M.
登録日2023-09-25
公開日2024-07-31
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 2024
8FYY
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BU of 8fyy by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10)
分子名称: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8UC7
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BU of 8uc7 by Molmil
HCN1 complex with propofol
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Kim, E.D, Nimigean, C.M.
登録日2023-09-25
公開日2024-07-31
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 2024
8G0H
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BU of 8g0h by Molmil
Human PARP1 deltaV687-E688 bound to UKTT5 (compound 10) and to a DNA double strand break.
分子名称: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-31
公開日2024-02-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8VJ4
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BU of 8vj4 by Molmil
X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
分子名称: HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ...
著者Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
登録日2024-01-05
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8V3M
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BU of 8v3m by Molmil
CCP5 apo structure
分子名称: Cytosolic carboxypeptidase-like protein 5, D-MALATE, IMIDAZOLE, ...
著者Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
登録日2023-11-28
公開日2024-07-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
8VJ5
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BU of 8vj5 by Molmil
Peroxide-Soaked MnSOD
分子名称: HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
登録日2024-01-05
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8FZ1
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BU of 8fz1 by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14)
分子名称: (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
1GIT
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BU of 1git by Molmil
STRUCTURE OF GTP-BINDING PROTEIN
分子名称: G PROTEIN GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION
著者Berghuis, A.M, Lee, E, Sprang, S.R.
登録日1996-10-16
公開日1997-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the GDP-Pi complex of Gly203-->Ala gialpha1: a mimic of the ternary product complex of galpha-catalyzed GTP hydrolysis.
Structure, 4, 1996
8FY2
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BU of 8fy2 by Molmil
E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2)
分子名称: Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ...
著者Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Ruben, E, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K.
登録日2023-01-25
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8FBZ
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BU of 8fbz by Molmil
Crystal Structure of apo human Glutathione Synthetase Y270E
分子名称: GLYCEROL, Glutathione synthetase, SULFATE ION
著者Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N.
登録日2022-11-30
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024
8R1D
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BU of 8r1d by Molmil
SD1-3 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-3 Fab Heavy Chain, SD1-3 Fab Light Chain, ...
著者Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
登録日2023-11-01
公開日2024-03-13
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
8DK7
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BU of 8dk7 by Molmil
Crystal structure of theophylline aptamer soaked with TAL2
分子名称: FAB heavy chain, FAB light chain, RNA (34-MER)
著者Menichelli, E, Spraggon, G.
登録日2022-07-04
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022

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件を2024-08-14に公開中

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