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7YTV
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BU of 7ytv by Molmil
Crystal structure of Aspergillus fumigatus Thioredoxin reductase in complex with auranofin
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase
著者Lin, W.
登録日2022-08-16
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.866 Å)
主引用文献In vitro antifungal and antibiofilm activities of auranofin against itraconazole-resistant Aspergillus fumigatus.
J Mycol Med, 33, 2023
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPE
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BU of 6npe by Molmil
C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide
分子名称: 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-17
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
7YPE
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BU of 7ype by Molmil
Crystal structure of AsfvPCNA in space group of P63
分子名称: E301R, GLYCEROL
著者Shao, Z.W, Gan, J.H.
登録日2022-08-03
公開日2023-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023
7YPF
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Crystal structure of AsfvPCNA in space group of P1
分子名称: E301R
著者Shao, Z.W, Gan, J.H.
登録日2022-08-03
公開日2023-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
分子名称: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Walker, M.E, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7KGY
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Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
分子名称: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
著者Simpson, J.B, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7UVF
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BU of 7uvf by Molmil
Crystal structure of ZED8 Fab complex with CD8 alpha
分子名称: CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ...
著者Yu, C, Davies, C, Koerber, J.T, Williams, S.
登録日2022-05-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
分子名称: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-03-04
公開日2022-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5N
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BU of 7o5n by Molmil
Crystal Structure of a Class D carbapenemase complexed with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, Zhang, Z, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
分子名称: BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
分子名称: BICARBONATE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-16
公開日2022-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7OJ1
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BU of 7oj1 by Molmil
Bacillus subtilis IMPDH in complex with Ap4A
分子名称: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION
著者Giammarinaro, P.I, Bange, G.
登録日2021-05-13
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis.
Nat Microbiol, 7, 2022
7OJ2
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BU of 7oj2 by Molmil
Bacillus subtilis IMPDH in complex with Ap4A
分子名称: GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION
著者Giammarinaro, P.I, Bange, G.
登録日2021-05-13
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis.
Nat Microbiol, 7, 2022
7PB4
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BU of 7pb4 by Molmil
Cenp-HIK 3-protein complex
分子名称: Centromere protein H, Centromere protein I, Centromere protein K
著者Bellini, D, Yatskevich, S, Muir, W.K, Barford, D.
登録日2021-07-30
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7PB8
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BU of 7pb8 by Molmil
Crystal structure of the CENP-OPQUR complex
分子名称: Centromere protein O, Centromere protein P, Centromere protein Q, ...
著者Bellini, D, Yatskevich, S, Muir, K.W, Barford, D.
登録日2021-07-31
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.68 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7PGO
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BU of 7pgo by Molmil
Crystal Structure of a Class D Carbapenemase_R250A
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-15
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEP
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Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PFN
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Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, Beta-lactamase, Imipenem, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEI
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BU of 7pei by Molmil
Crystal Structure of a Class D carbapenemase_E185A/R186A/R206A
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEH
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BU of 7peh by Molmil
Crystal Structure of a Class D Carbapenemase
分子名称: 1-BUTANOL, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
6O9H
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Mouse ECD with Fab1
分子名称: Gastric inhibitory polypeptide receptor, Heavy chain, Light chain, ...
著者Min, X, Wang, Z.
登録日2019-03-13
公開日2020-01-22
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
6O9I
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Ternary complex of mouse ECD with Fab1 and Fab2
分子名称: 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ...
著者Min, X, Wang, Z.
登録日2019-03-13
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020

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