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7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
分子名称: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
7F7W
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BU of 7f7w by Molmil
JAK2-JH2
分子名称: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2
著者Niu, L.
登録日2021-06-30
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022
7EXC
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BU of 7exc by Molmil
Crystal structure of T2R-TTL-1129A2 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Yang, J.H, Yan, W.
登録日2021-05-26
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
J.Med.Chem., 65, 2022
4IVC
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BU of 4ivc by Molmil
JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE
分子名称: (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Shia, S.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
2MTP
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BU of 2mtp by Molmil
The structure of Filamin repeat 21 bound to integrin
分子名称: Filamin-A, Integrin alpha-IIb, Integrin beta-3
著者Liu, J, Qin, J.
登録日2014-08-28
公開日2015-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural mechanism of integrin inactivation by filamin.
Nat.Struct.Mol.Biol., 22, 2015
7PKN
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BU of 7pkn by Molmil
Structure of the human CCAN deltaCT complex
分子名称: Centromere protein H, Centromere protein I, Centromere protein K, ...
著者Muir, K.W, Yatskevich, S, Bellini, D, Barford, D.
登録日2021-08-25
公開日2022-04-27
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7PSE
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BU of 7pse by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 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
8QNZ
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BU of 8qnz by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2023-09-27
公開日2023-11-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.53 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., 9, 2023
8Q84
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BU of 8q84 by Molmil
Outer kinetochore Dam1 protomer dimer Ndc80-Nuf2 coiled-coil complex
分子名称: DASH complex subunit ASK1, DASH complex subunit DAD1, DASH complex subunit DAD2, ...
著者Muir, K.W, Barford, D.
登録日2023-08-17
公開日2023-12-06
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structural mechanism of outer kinetochore Dam1-Ndc80 complex assembly on microtubules.
Science, 382, 2023
8Q85
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BU of 8q85 by Molmil
Outer kinetochore Dam1 protomer monomer Ndc80-Nuf2 coiled-coil complex
分子名称: DASH complex subunit ASK1, DASH complex subunit DAD1, DASH complex subunit DAD2, ...
著者Muir, K.W, Barford, D.
登録日2023-08-17
公開日2023-12-06
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献Structural mechanism of outer kinetochore Dam1-Ndc80 complex assembly on microtubules.
Science, 382, 2023
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 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
7Q14
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BU of 7q14 by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-10-18
公開日2022-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 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
8QAU
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BU of 8qau by Molmil
Outer kinetochore Ndc80-Dam1 alpha/beta-tubulin complex
分子名称: DASH complex subunit DAM1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Muir, K.W, Barford, D.
登録日2023-08-23
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Mechanism of outer kinetochore assembly on microtubules and its regulation by mitotic error correction
Biorxiv, 2023
7SQK
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BU of 7sqk by Molmil
Cryo-EM structure of the human augmin complex
分子名称: HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 2, HAUS augmin-like complex subunit 3, ...
著者Gabel, C.A, Chang, L.
登録日2021-11-05
公開日2022-09-21
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Molecular architecture of the augmin complex.
Nat Commun, 13, 2022
5JYC
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BU of 5jyc by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate
分子名称: (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-05-13
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5YEI
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BU of 5yei by Molmil
Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase
分子名称: Aspartokinase, GLYCEROL, LYSINE, ...
著者Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R.
登録日2017-09-17
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase.
Biochem.J., 475, 2018
7PII
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BU of 7pii by Molmil
Structure of the human CCAN CENP-A alpha-satellite complex
分子名称: Centromere protein C, DNA (122-MER), DNA (123-MER), ...
著者Yatskevich, S, Muir, K.W, Bellini, D, Barford, D.
登録日2021-08-19
公開日2022-05-25
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7UG9
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BU of 7ug9 by Molmil
Crystal structure of RNase AM PHP domain
分子名称: 5'-3' exoribonuclease, MANGANESE (II) ION, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-03-24
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Identification of a novel deFADding activity in human, yeast and bacterial 5' to 3' exoribonucleases.
Nucleic Acids Res., 50, 2022
5LGG
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BU of 5lgg by Molmil
The N-terminal WD40 domain of Apc1 (Anaphase promoting complex subunit 1)
分子名称: Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1
著者Li, Q, Aibara, S, Barford, D.
登録日2016-07-07
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献WD40 domain of Apc1 is critical for the coactivator-induced allosteric transition that stimulates APC/C catalytic activity.
Proc.Natl.Acad.Sci.USA, 113, 2016
8PPR
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BU of 8ppr by Molmil
Structure of the human outer kinetochore KMN network complex
分子名称: Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ...
著者Yatskevich, S, Barford, D.
登録日2023-07-08
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of the human outer kinetochore KMN network complex.
Nat.Struct.Mol.Biol., 2024
7Y7J
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BU of 7y7j by Molmil
SARS-CoV-2 S trimer in complex with 1F Fab
分子名称: 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, S, Liu, F, Yang, X, Zhong, G.
登録日2022-06-22
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
7Y7K
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BU of 7y7k by Molmil
SARS-CoV-2 RBD in complex with 1F Fab
分子名称: 1F VH, 1F VL, Spike protein S1
著者Zhao, S, Liu, F, Yang, X, Zhong, G.
登録日2022-06-22
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
4ZOL
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BU of 4zol by Molmil
Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex
分子名称: (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Zhang, R.
登録日2015-05-06
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZHQ
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BU of 4zhq by Molmil
Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Zhang, R.
登録日2015-04-26
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Zhang, R.
登録日2015-04-27
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016

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