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6A2M
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Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
登録日2018-06-12
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6S3C
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BU of 6s3c by Molmil
Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-06-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6AM7
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BU of 6am7 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9
分子名称: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
著者Buller, A.R, van Roye, P.
登録日2017-08-09
公開日2018-05-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
5KOM
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BU of 5kom by Molmil
The crystal structure of fluoride channel Fluc Ec2 F83I Mutant
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Putative fluoride ion transporter CrcB, ...
著者Last, N.B, Kolmakova-Partensky, L, Shane, T, Miller, C.
登録日2016-06-30
公開日2016-08-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Mechanistic signs of double-barreled structure in a fluoride ion channel.
Elife, 5, 2016
8CBM
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BU of 8cbm by Molmil
Structure of human mitochondrial CCA-adding enzyme in complex with mitochondrial pre-tRNA-Ile
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, CCA tRNA nucleotidyltransferase 1, mitochondrial, ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
8CBO
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BU of 8cbo by Molmil
Structure of human mitochondrial MRPP1-MRPP2 in complex with mitochondrial pre-tRNA-Ile
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-Ile(5,4), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
8CBK
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BU of 8cbk by Molmil
Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-His(5,Ser)
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-His(5,Ser), ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
8CBL
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BU of 8cbl by Molmil
Structure of human mitochondrial RNase Z in complex with mitochondrial pre-tRNA-His(0,Ser)
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-His(0,Ser), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, YU, W, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
6ACO
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BU of 6aco by Molmil
histone lysine desuccinylase Sirt5 in complex with succinyl peptide H2BK120
分子名称: CHLORIDE ION, GLYCEROL, NAD-dependent protein deacylase sirtuin-5, ...
著者Hang, T.R, Chen, W.B.
登録日2018-07-26
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献complex structure of histone lysine desuccinylase Sirt5 with succinyl peptide H2BK120
To Be Published
5KYF
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BU of 5kyf by Molmil
Crystal structure of USP7 catalytic domain [L299A] mutant in complex with ubiquitin
分子名称: GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
7PRK
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BU of 7prk by Molmil
Factor XII Fibronectin type II (FXII FnII) domain
分子名称: Coagulation factor XII, FORMIC ACID, ZINC ION
著者Kaira, B.G, Emsley, J.
登録日2021-09-21
公開日2022-10-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Factor XII Fibronectin type II (FXII FnII) domain
To Be Published
5L03
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BU of 5l03 by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION
著者Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R.
登録日2016-07-26
公開日2017-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate
To Be Published
6EOR
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BU of 6eor by Molmil
DPP9 - 1G244
分子名称: (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione, Dipeptidyl peptidase 9
著者Ross, B.R, Huber, R.
登録日2017-10-10
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7PSQ
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BU of 7psq by Molmil
Crystal structure of S100A4 labeled with NU074381b.
分子名称: (2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Krojer, T, Arruda Bezerra, G, Koekemoer, L, Bountra, C, Von Delft, F, Brennan, P, Fedorov, O.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of S100A4 labeled with NU074381b.
To Be Published
7KK6
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BU of 7kk6 by Molmil
Structure of the catalytic domain of PARP1 in complex with veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7ZPM
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BU of 7zpm by Molmil
Influenza A/H7N9 polymerase apo-protein dimer complex
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
著者Cusack, S, Kouba, T.
登録日2022-04-27
公開日2022-12-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
6RMN
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BU of 6rmn by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-05-07
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6J9Q
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BU of 6j9q by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with AMP-PNP.
分子名称: GLYCEROL, Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
登録日2019-01-24
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase.
To Be Published
7ED5
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BU of 7ed5 by Molmil
A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Shannon, A, Fattorini, V, Sama, B, Selisko, B, Feracci, M, Falcou, C, Gauffre, P, El Kazzi, P, Delpal, A, Decroly, E, Alvarez, K, Eydoux, C, Guillemot, J.-C, Moussa, A, Good, S, Colla, P, Lin, K, Sommadossi, J.-P, Zhu, Y.X, Yan, X.D, Shi, H, Ferron, F, Canard, B.
登録日2021-03-15
公開日2022-02-16
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase.
Nat Commun, 13, 2022
7PLR
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BU of 7plr by Molmil
Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir
分子名称: Baloxavir acid, FORMIC ACID, GLYCEROL, ...
著者Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K.
登録日2021-09-01
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir
To Be Published
7ZPL
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BU of 7zpl by Molmil
Symmetric dimer of influenza A/H7N9 polymerase bound to 5' vRNA hook
分子名称: 5' vRNA, MAGNESIUM ION, Polymerase acidic protein, ...
著者Cusack, S, Kouba, T.
登録日2022-04-27
公開日2022-12-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
6EBP
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BU of 6ebp by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form
分子名称: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
著者Palowitch, G.M, Boal, A.K.
登録日2018-08-06
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6UTS
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BU of 6uts by Molmil
Crystal Structure of bacterial pirin YhhW in complex with nickel(II) from Escherichia coli
分子名称: NICKEL (II) ION, Quercetin 2,3-dioxygenase
著者Guo, B, Zhang, Y, Jia, Z.
登録日2019-10-29
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure-Dependent Modulation of Substrate Binding and Biodegradation Activity of Pirin Proteins toward Plant Flavonols.
Acs Chem.Biol., 14, 2019
7KTX
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BU of 7ktx by Molmil
Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ...
著者Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A.
登録日2020-11-24
公開日2020-12-02
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
6J71
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BU of 6j71 by Molmil
HuA21-scFv in complex with the extracellular domain(ECD) of HER2
分子名称: Receptor tyrosine-protein kinase erbB-2, anti-HER2 humanized antibody HuA21, beta-D-mannopyranose, ...
著者Wang, Z, Guo, G, Cheng, B, Zhu, Z, Niu, L, Zhang, H.
登録日2019-01-16
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural insight into a matured humanized monoclonal antibody HuA21 against HER2-overexpressing cancer cells.
Acta Crystallogr D Struct Biol, 75, 2019

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件を2024-08-21に公開中

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