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PDB: 40736 件

7ZI1
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BU of 7zi1 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor
分子名称: Deoxycytidine kinase, N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI3
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BU of 7zi3 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor
分子名称: 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ...
著者Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI2
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BU of 7zi2 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi2 inhibitor
分子名称: Deoxycytidine kinase, N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI6
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BU of 7zi6 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor
分子名称: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI5
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BU of 7zi5 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor
分子名称: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
6XUS
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RNA dodecamer with a 6-hydrazino-2-aminopurine modified base
分子名称: MAGNESIUM ION, RNA dodecamer with a 6-hydrazino-2-aminopurine modified base, SODIUM ION
著者Ennifar, E, Micura, R, Gasser, C, Brillet, K.
登録日2020-01-21
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Thioguanosine Conversion Enables mRNA-Lifetime Evaluation by RNA Sequencing Using Double Metabolic Labeling (TUC-seq DUAL).
Angew.Chem.Int.Ed.Engl., 59, 2020
7ZI7
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BU of 7zi7 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor
分子名称: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZIA
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BU of 7zia by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor
分子名称: 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ...
著者Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZIB
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BU of 7zib by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor
分子名称: 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ...
著者Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI8
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BU of 7zi8 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor
分子名称: 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
6BOH
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BU of 6boh by Molmil
Antibiotic blasticidin S and E. coli release factor 1 (containing deletion 302-304) bound to the 70S ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Svidritskiy, E, Korostelev, A.A.
登録日2017-11-20
公開日2018-05-23
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Conformational Control of Translation Termination on the 70S Ribosome.
Structure, 26, 2018
5D7J
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BU of 5d7j by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Woolley, R.E, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
5M95
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BU of 5m95 by Molmil
STAPHYLOCOCCUS CAPITIS DIVALENT METAL ION TRANSPORTER (DMT) IN COMPLEX WITH MANGANESE
分子名称: CAMELID ANTIBODY FRAGMENT, NANOBODY, Divalent metal cation transporter MntH, ...
著者Ehrnstorfer, I.A, Geertsma, E.R, Pardon, E, Steyaert, J, Dutzler, R.
登録日2016-10-31
公開日2016-11-30
最終更新日2019-09-25
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal Structure Of A Slc11 (Nramp) Transporter Reveals The Basis For Transition-Metal Ion Transport.
Nat.Struct.Mol.Biol., 21, 2014
5MBT
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BU of 5mbt by Molmil
CeuE (H227L, Y288F variant) a periplasmic protein from Campylobacter jejuni
分子名称: Enterochelin uptake periplasmic binding protein
著者Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
登録日2016-11-08
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
6NY3
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BU of 6ny3 by Molmil
CasX ternary complex with 30bp target DNA
分子名称: CasX, DNA Non-target strand, DNA target strand, ...
著者Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
登録日2019-02-10
公開日2019-02-27
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NEU
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BU of 6neu by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant
分子名称: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
登録日2018-12-18
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
7MDI
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BU of 7mdi by Molmil
Structure of the Neisseria gonorrhoeae ribonucleotide reductase in the inactive state
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Levitz, T.S, Drennan, C.L, Brignole, E.J.
登録日2021-04-05
公開日2022-01-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex.
J.Struct.Biol., 214, 2021
7QUP
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BU of 7qup by Molmil
D. melanogaster 13-protofilament microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J.
登録日2022-01-18
公開日2022-11-02
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
8CTH
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BU of 8cth by Molmil
Cryo-EM structure of human METTL1-WDR4-tRNA(Phe) complex
分子名称: Phe-tRNA, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase, ...
著者Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fishcer, E.S, Gregory, R.I.
登録日2022-05-14
公開日2022-12-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
1VIF
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BU of 1vif by Molmil
STRUCTURE OF DIHYDROFOLATE REDUCTASE
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID
著者Narayana, N, Matthews, D.A, Howell, E.E, Xuong, N.-H.
登録日1996-10-03
公開日1997-10-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A plasmid-encoded dihydrofolate reductase from trimethoprim-resistant bacteria has a novel D2-symmetric active site.
Nat.Struct.Biol., 2, 1995
4WOL
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BU of 4wol by Molmil
Crystal Structure of the DAP12 transmembrane domain in lipidic cubic phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, TYRO protein tyrosine kinase-binding protein
著者Call, M.J, Call, M.E, Knoblich, K.
登録日2014-10-16
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly.
Cell Rep, 11, 2015
5WJU
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BU of 5wju by Molmil
Cryo-EM structure of B. subtilis flagellar filaments A39V, N133H
分子名称: Flagellin
著者Wang, F, Burrage, A.M, Kearns, D.B, Egelman, E.H.
登録日2017-07-24
公開日2017-10-25
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
6YN4
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BU of 6yn4 by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose.
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)-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, ACETATE ION, ...
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2020-04-10
公開日2021-10-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
6YLJ
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BU of 6ylj by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitinhexaose.
分子名称: 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-(1-4)-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, ACETATE ION, Endochitinase 42, ...
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2020-04-07
公開日2021-10-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
7ZRA
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BU of 7zra by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497)
分子名称: 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497)
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2022-05-04
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022

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