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5JPJ
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BU of 5jpj by Molmil
Crystal structure of 6aJL2-R24G
分子名称: 6aJL2 protein
著者Pelaez-Aguilar, A.E, Diaz-Vilchis, A, Amero, C, Becerril, B, Rudino-Pinera, E.
登録日2016-05-03
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of 6aJL2-R24G light chain variable domain: Does crystal packing explain amyloid fibril formation?
Biochem Biophys Rep, 20, 2019
8SBH
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BU of 8sbh by Molmil
YeiE effector binding domain from E. coli
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E.
登録日2023-04-03
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
2YEX
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BU of 2yex by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A.
登録日2011-03-31
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5DQF
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BU of 5dqf by Molmil
Horse Serum Albumin (ESA) in complex with Cetirizine
分子名称: (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, CHLORIDE ION, ...
著者Handing, K.B, Shabalin, I.G, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2015-09-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of equine serum albumin in complex with cetirizine reveals a novel drug binding site.
Mol.Immunol., 71, 2016
2YZ3
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BU of 2yz3 by Molmil
Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor
分子名称: (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ...
著者Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H.
登録日2007-05-02
公開日2008-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor.
J.Med.Chem., 50, 2007
2YER
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BU of 2yer by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
登録日2011-03-30
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6D71
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BU of 6d71 by Molmil
Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1
著者Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2018-04-23
公開日2019-10-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7180779 Å)
主引用文献Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
J.Struct.Biol., 212, 2020
1W6B
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BU of 1w6b by Molmil
Solution NMR Structure of a Long Neurotoxin from the Venom of the Asian Cobra, 20 Structures
分子名称: LONG NEUROTOXIN 1
著者Talebzadeh-Farooji, M, Amininasab, M, Elmi, M.M, Naderi-Manesh, H, Sarbolouki, M.N.
登録日2004-08-17
公開日2004-12-22
最終更新日2018-05-09
実験手法SOLUTION NMR
主引用文献Solution structure of long neurotoxin NTX-1 from the venom of Naja naja oxiana by 2D-NMR spectroscopy.
Eur. J. Biochem., 271, 2004
2GAG
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BU of 2gag by Molmil
Heteroteterameric sarcosine: structure of a diflavin metaloenzyme at 1.85 a resolution
分子名称: 2-FUROIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chen, Z.W, Hassan-Abdulah, A, Zhao, G, Jorns, M.S, Mathews, F.S.
登録日2006-03-08
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Heterotetrameric sarcosine oxidase: structure of a diflavin metalloenzyme at 1.85 a resolution.
J.Mol.Biol., 360, 2006
5K9H
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BU of 5k9h by Molmil
Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium
分子名称: 0940_GH29, GLYCEROL, SODIUM ION, ...
著者Summers, E.L, Arcus, V.L.
登録日2016-05-31
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains.
Acta Crystallogr.,Sect.F, 72, 2016
2FUK
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BU of 2fuk by Molmil
Crystal structure of XC6422 from Xanthomonas campestris: a member of a/b serine hydrolase without lid at 1.6 resolution
分子名称: XC6422 protein
著者Yang, C.Y, Chin, K.H, Chou, C.C, Wang, A.H.J, Chou, S.H.
登録日2006-01-27
公開日2006-07-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of XC6422 from Xanthomonas campestris at 1.6 A resolution: a small serine alpha/beta-hydrolase
Acta Crystallogr.,Sect.F, 62, 2006
6KCK
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BU of 6kck by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with pterin and p-hydroxybenzoate
分子名称: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, CALCIUM ION, ...
著者Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
登録日2019-06-28
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6JWQ
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BU of 6jwq by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type
分子名称: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
登録日2019-04-21
公開日2020-02-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6JWU
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BU of 6jwu by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with STZ-DHP
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ...
著者Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
登録日2019-04-21
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6KCM
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BU of 6kcm by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613S with pterin and p-hydrobenzoate
分子名称: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
登録日2019-06-28
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6JWS
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BU of 6jws by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS A437G with Pteroate
分子名称: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
登録日2019-04-21
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6KFZ
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BU of 6kfz by Molmil
SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec at 1.96 angstrom resolution
分子名称: Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
著者Nakamura, R, Takahashi, Y, Fujishiro, T.
登録日2019-07-09
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
6KUB
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BU of 6kub by Molmil
Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 1)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein
著者Rathore, I, Mishra, V, Bhaumik, P.
登録日2019-08-31
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
6L0I
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BU of 6l0i by Molmil
Crystal structure of dihydroorotase in complex with malate at pH6.5 from Saccharomyces cerevisiae
分子名称: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6L0F
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Crystal structure of dihydroorotase in complex with 5-Aminouracil from Saccharomyces cerevisiae
分子名称: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
4FOL
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BU of 4fol by Molmil
S-formylglutathione hydrolase Variant H160I
分子名称: S-formylglutathione hydrolase
著者Legler, P.M, Millard, C.B.
登録日2012-06-20
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A role for His-160 in peroxide inhibition of S. cerevisiae S-formylglutathione hydrolase: Evidence for an oxidation sensitive motif.
Arch.Biochem.Biophys., 528, 2012
5DLP
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BU of 5dlp by Molmil
Acetylcholinesterase Methylene Blue no PEG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ...
著者Dym, O.
登録日2015-09-07
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
6KLK
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Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-FU
分子名称: 5-FLUOROURACIL, D-hydantoinase/dihydropyrimidinase, ZINC ION
著者Huang, Y.H, Chen, I.C, Huang, C.Y.
登録日2019-07-30
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Crystal structure of dihydropyrimidinase in complex with anticancer drug 5-fluorouracil.
Biochem.Biophys.Res.Commun., 519, 2019
6LJJ
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Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ...
著者Liang, R, Peng, G.Q.
登録日2019-12-16
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
4FGW
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BU of 4fgw by Molmil
Structure of Glycerol-3-Phosphate Dehydrogenase, GPD1, from Sacharomyces Cerevisiae
分子名称: Glycerol-3-phosphate dehydrogenase [NAD(+)] 1
著者Aparicio, D, Munmun, N, Carpena, X, Fita, I, Loewen, P.
登録日2012-06-05
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of glycerol-3-phosphate dehydrogenase (GPD1) from Saccharomyces cerevisiae at 2.45A resolution
Acta Crystallogr.,Sect.F, 68, 2012

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