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8P5Z
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BU of 8p5z by Molmil
Artificial transfer hydrogenase with a Mn-5 cofactor and Streptavidin S112Y-K121M mutant
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide, BROMIDE ION, GLYCEROL, ...
著者Lau, K, Wang, W, Pojer, F, Larabi, A.
登録日2023-05-24
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
6JNY
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BU of 6jny by Molmil
Crystal structure of bacteriophage 21 Q protein
分子名称: Antiterminator Q protein
著者Feng, Y, Shi, J.
登録日2019-03-18
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
8AG1
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BU of 8ag1 by Molmil
Crystal structure of a novel OX40 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ...
著者Gao, H, Zhou, A.
登録日2022-07-19
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.303 Å)
主引用文献Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
7RD0
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BU of 7rd0 by Molmil
Crystal structure of C. difficile penicillin-binding protein 3 in apo form
分子名称: GLYCEROL, Penicillin-binding protein, ZINC ION
著者Sacco, M, Chen, Y.
登録日2021-07-08
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
6GH5
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BU of 6gh5 by Molmil
Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme transcription open complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Glyde, R, Ye, F.Z, Zhang, X.D.
登録日2018-05-04
公開日2018-07-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation.
Mol. Cell, 70, 2018
7RCX
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BU of 7rcx by Molmil
Crystal structure of C. difficile penicillin-binding protein 2 in apo form
分子名称: GLYCEROL, Penicillin-binding protein, SULFATE ION, ...
著者Sacco, M, Chen, Y.
登録日2021-07-08
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
7RCW
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BU of 7rcw by Molmil
Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sacco, M, Chen, Y.
登録日2021-07-08
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
7RCZ
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BU of 7rcz by Molmil
Crystal structure of C. difficile SpoVD in complex with ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Sacco, M, Chen, Y.
登録日2021-07-08
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
7RCY
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BU of 7rcy by Molmil
Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole
分子名称: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION
著者Sacco, M, Chen, Y.
登録日2021-07-08
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
6WE8
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BU of 6we8 by Molmil
YTH domain of human YTHDC1
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
著者Horton, J.R, Cheng, X.
登録日2020-04-01
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
8QPR
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BU of 8qpr by Molmil
SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ...
著者Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
登録日2023-10-03
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
5DZN
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BU of 5dzn by Molmil
human T-cell immunoglobulin and mucin domain protein 4
分子名称: T-cell immunoglobulin and mucin domain-containing protein 4
著者Yuan, S, Rao, Z, Wang, X.
登録日2015-09-25
公開日2015-11-25
最終更新日2016-02-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
8QQ0
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BU of 8qq0 by Molmil
SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
登録日2023-10-03
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
5GWE
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BU of 5gwe by Molmil
cytochrome P450 CREJ
分子名称: (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Dong, S, liu, X, Wang, X, Feng, Y.
登録日2016-09-11
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2ZO0
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BU of 2zo0 by Molmil
mouse NP95 SRA domain DNA specific complex 1
分子名称: DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), E3 ubiquitin-protein ligase UHRF1
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
6GFW
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BU of 6gfw by Molmil
Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme initial transcribing complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Glyde, R, Ye, F.Z, Zhang, X.D.
登録日2018-05-02
公開日2018-07-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation.
Mol. Cell, 70, 2018
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
分子名称: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
分子名称: Envelope glycoprotein,AP1, GLYCEROL
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5UI8
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BU of 5ui8 by Molmil
structure of sigmaN-holoenzyme
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Darst, S.A, Campbell, E.A.
登録日2017-01-13
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.76 Å)
主引用文献Crystal structure of Aquifex aeolicus sigma (N) bound to promoter DNA and the structure of sigma (N)-holoenzyme.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2ZO2
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BU of 2zo2 by Molmil
Mouse NP95 SRA domain non-specific DNA complex
分子名称: DNA (5'-D(*DAP*DAP*DCP*DTP*DGP*DCP*DGP*DCP*DAP*DGP*DTP*DT)-3'), E3 ubiquitin-protein ligase UHRF1, PHOSPHATE ION
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
5GZN
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BU of 5gzn by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
分子名称: Antibody Heavy chain, Antibody light chain, Genome polyprotein
著者Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
登録日2016-09-29
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
6GH6
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BU of 6gh6 by Molmil
Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme intermediate partially loaded complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Glyde, R, Ye, F.Z, Zhang, X.D.
登録日2018-05-04
公開日2018-07-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation.
Mol. Cell, 70, 2018
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
分子名称: E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
5KMO
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TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea
分子名称: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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