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5LRK
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BU of 5lrk by Molmil
Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin F complex
分子名称: Anabaenopeptin F, Carboxypeptidase B, ZINC ION
著者Schreuder, H, Liesum, A, Loenze, P.
登録日2016-08-19
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5LQW
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BU of 5lqw by Molmil
yeast activated spliceosome
分子名称: Pre-mRNA leakage protein 1, Pre-mRNA-processing protein 45, Pre-mRNA-splicing factor 8, ...
著者Rauhut, R, Luehrmann, R.
登録日2016-08-17
公開日2016-10-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Molecular architecture of the Saccharomyces cerevisiae activated spliceosome
Science, 6306, 2016
5LRG
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BU of 5lrg by Molmil
Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin B complex
分子名称: Anabaenopeptin B, Carboxypeptidase B, ZINC ION
著者Schreuder, H, Liesum, A, Loenze, P.
登録日2016-08-19
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
3CCK
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BU of 3cck by Molmil
Human CD69
分子名称: CHLORIDE ION, Early activation antigen CD69
著者Brynda, J, Vanek, O, Rezacova, P.
登録日2008-02-26
公開日2008-11-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Soluble recombinant CD69 receptors optimized to have an exceptional physical and chemical stability display prolonged circulation and remain intact in the blood of mice
Febs J., 275, 2008
5VCL
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BU of 5vcl by Molmil
Structure of the Qdm peptide bound to Qa-1a
分子名称: Beta-2-microglobulin, GLYCEROL, H2-T23 protein, ...
著者Ying, G, Zajonc, D.M.
登録日2017-03-31
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Qa-1a with bound Qa-1 determinant modifier peptide.
PLoS ONE, 12, 2017
6OLU
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BU of 6olu by Molmil
RIAM RA-PH core structure in the P212121 space group
分子名称: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
著者Wu, J.
登録日2019-04-17
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM.
Structure, 29, 2021
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
分子名称: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
著者Zhang, Y, Colonna, C, Michot, N.
登録日2011-12-22
公開日2012-03-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
6O6H
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BU of 6o6h by Molmil
RIAM cc-RA-PH structure in the P21212 space group
分子名称: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
著者Wu, J.
登録日2019-03-06
公開日2020-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phosphorylation of RIAM by Src Promotes Integrin Activation by Unmasking the PH Domain of RIAM.
Structure, 2020
7C8E
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BU of 7c8e by Molmil
Crystal Structure of 14-3-3 epsilon with 9J10 peptide
分子名称: 14-3-3 protein epsilon, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9J10
著者Mathivanan, S, Sudhakar, S, Bairy, S, Kamariah, N, Venkitaraman, A.
登録日2020-05-30
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Target identification for small-molecule discovery in the FOXO3a tumor-suppressor pathway using a biodiverse peptide library.
Cell Chem Biol, 28, 2021
7DDC
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BU of 7ddc by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine
分子名称: 3C-like proteinase, Tafenoquine
著者Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C.
登録日2020-10-28
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.175 Å)
主引用文献Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2.
J.Biol.Chem., 298, 2022
6SWN
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BU of 6swn by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778)
分子名称: 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4, ...
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWQ
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BU of 6swq by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046)
分子名称: 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWP
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BU of 6swp by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046)
分子名称: 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 2
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWO
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BU of 6swo by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD1 (GSK778)
分子名称: 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 2
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
1TU5
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BU of 1tu5 by Molmil
Crystal structure of bovine plasma copper-containing amine oxidase
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Lunelli, M, Di Paolo, M.L, Biadene, M, Calderone, V, Scarpa, M, Battistutta, R, Rigo, A, Zanotti, G.
登録日2004-06-24
公開日2005-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of amine oxidase from bovine serum.
J.Mol.Biol., 346, 2005
7N9D
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BU of 7n9d by Molmil
I74A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
分子名称: (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
著者Thomas, L.M, Singh, S, Johnson, B.P.
登録日2021-06-17
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7USG
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BU of 7usg by Molmil
BRD2-BD2 in complex with MDP5
分子名称: (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USI
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BU of 7usi by Molmil
BRD2-BD1 in complex with MDP5
分子名称: (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USH
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BU of 7ush by Molmil
BRD2-BD2 in complex with SF2523
分子名称: 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USJ
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BU of 7usj by Molmil
BRD4-BD2 in complex with SF2523
分子名称: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USK
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BU of 7usk by Molmil
BRD4-BD2 Ligand free
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7TBX
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BU of 7tbx by Molmil
Crystal structure of D179Y KPC-2 beta-lactamase
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC
著者van den Akker, F, Alsenani, T.
登録日2021-12-22
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
7TC1
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BU of 7tc1 by Molmil
Crystal structure of D179N KPC-2 beta-lactamase in complex with vaborbactam
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION, Vaborbactam
著者van den Akker, F, Alsenani, T.
登録日2021-12-22
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
6VOT
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BU of 6vot by Molmil
Crystal structure of Pseudomonas aerugonisa PBP3 complexed to gamma-lactam YU253434
分子名称: 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-01-31
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A gamma-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli.
J.Med.Chem., 63, 2020
7TB7
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BU of 7tb7 by Molmil
Crystal structure of D179N KPC-2 beta-lactamase
分子名称: CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
著者van den Akker, F, Alsenani, T.
登録日2021-12-21
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022

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