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2IBL
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BU of 2ibl by Molmil
Crystal structure of a helper molecule (HT-mf-thromb) based on mini-fibritin (mf) crystal structure (pdb:1OX3).
分子名称: Fibritin
著者Boudko, S.P, Rossmann, M.G.
登録日2006-09-11
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Coiled-coil Domain Structure of the Sin Nombre Virus Nucleocapsid Protein.
J.Mol.Biol., 366, 2007
6GKF
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BU of 6gkf by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser139
分子名称: 14-3-3 protein gamma, Caspase-2
著者Alblova, M, Obsil, T, Obsilova, V.
登録日2018-05-20
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
7U9K
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BU of 7u9k by Molmil
Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ...
著者Pederick, J.L, Bruning, J.B.
登録日2022-03-10
公開日2023-03-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Bioorg.Med.Chem., 96, 2023
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
分子名称: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-10
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
6U60
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BU of 6u60 by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ...
著者Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-28
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
4ZSU
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BU of 4zsu by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG
分子名称: COBALT (II) ION, Parathion hydrolase
著者Mabanglo, M.F, Raushel, F.M.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
7UI4
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BU of 7ui4 by Molmil
Crystal structure of the DNA preQ0 insertase DpdA
分子名称: DNA-guanine transglycosylase, ZINC ION
著者Hung, S.-H, Swairjo, M.A.
登録日2022-03-28
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献7-Deazaguanines in DNA: functional and structural elucidation of a DNA modification system.
Nucleic Acids Res., 51, 2023
6ZMM
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BU of 6zmm by Molmil
Crystal structure of human NDRG1
分子名称: CHLORIDE ION, Protein NDRG1
著者Mustonen, V, Kursula, P, Ruskamo, S.
登録日2020-07-03
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal and solution structure of NDRG1, a membrane-binding protein linked to myelination and tumour suppression.
Febs J., 288, 2021
6GKG
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BU of 6gkg by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser164
分子名称: 14-3-3 protein gamma, Caspase-2
著者Alblova, M, Obsil, T, Obsilova, V.
登録日2018-05-20
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.847 Å)
主引用文献14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
7D1D
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BU of 7d1d by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to 1-benzylimidazole
分子名称: 1-BENZYL-1H-IMIDAZOLE, Glutamine cyclotransferase, ZINC ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-14
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D17
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BU of 7d17 by Molmil
Crystal structure of Macrostomum lignano glutaminyl cyclase
分子名称: Glutaminyl-peptide cyclotransferase, ZINC ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-14
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1E
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BU of 7d1e by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to N-acetylhistamine
分子名称: Leucine aminopeptidase, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE, ZINC ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-14
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7VUM
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BU of 7vum by Molmil
Crystal structure of SSB complexed with que
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Single-stranded DNA-binding protein
著者Lin, E.S, Huang, Y.H, Huang, C.Y.
登録日2021-11-03
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.319 Å)
主引用文献A Complexed Crystal Structure of a Single-Stranded DNA-Binding Protein with Quercetin and the Structural Basis of Flavonol Inhibition Specificity.
Int J Mol Sci, 23, 2022
1YT5
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BU of 1yt5 by Molmil
Crystal structure of NAD kinase from Thermotoga maritima
分子名称: SULFATE ION, inorganic polyphosphate/ATP-NAD kinase
著者Berkeley Structural Genomics Center (BSGC)
登録日2005-02-09
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a NAD kinase from Thermotoga maritima at 2.3 A resolution.
Acta Crystallogr.,Sect.F, 61, 2005
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
分子名称: COBALT (II) ION, Parathion hydrolase
著者Mabanglo, M.F, Raushel, F.M.
登録日2015-05-13
公開日2015-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
1Z30
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BU of 1z30 by Molmil
NMR structure of the apical part of stemloop D from cloverleaf 1 of bovine enterovirus 1 RNA
分子名称: 5'-R(*GP*GP*CP*GP*UP*UP*CP*GP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-3'
著者Ihle, Y, Ohlenschlager, O, Duchardt, E, Ramachandran, R, Gorlach, M.
登録日2005-03-10
公開日2005-04-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A novel cGUUAg tetraloop structure with a conserved yYNMGg-type backbone conformation from cloverleaf 1 of bovine enterovirus 1 RNA
Nucleic Acids Res., 33, 2005
1PS3
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BU of 1ps3 by Molmil
Golgi alpha-mannosidase II in complex with kifunensine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase II, ...
著者Shah, N, Kuntz, D.A, Rose, D.R.
登録日2003-06-20
公開日2003-12-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of Kifunensine and 1-Deoxymannojirimycin Binding to Class I and II alpha-Mannosidases Demonstrates Different Saccharide Distortions in Inverting and Retaining Catalytic Mechanisms
Biochemistry, 42, 2003
6PBR
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BU of 6pbr by Molmil
Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group
分子名称: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION
著者Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q.
登録日2019-06-14
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant.
Acta Crystallogr.,Sect.F, 75, 2019
8C3T
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BU of 8c3t by Molmil
Structure of the GIsul2 transposon excisionase
分子名称: AlpA family phage regulatory protein
著者Smyshlyaev, G, Arinkin, V, Barabas, O.
登録日2022-12-28
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Cryo-EM structures of transposon end complexes explain antibiotic resistance transfer across diverse bacteria
To Be Published
7EOX
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BU of 7eox by Molmil
Protease structure from Euphorbia resinifera
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, Protease, ...
著者Siritapetawee, J, Attarataya, J, Charoenwattanasatien, R.
登録日2021-04-24
公開日2022-01-12
最終更新日2023-01-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sequence analysis and crystal structure of a glycosylated protease from Euphorbia resinifera latex for its proteolytic activity aspect.
Biotechnol Appl Biochem, 69, 2022
8CGA
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BU of 8cga by Molmil
Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
著者Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G.
登録日2023-02-03
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
To Be Published
8EJN
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BU of 8ejn by Molmil
Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol
分子名称: 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ...
著者Aktar, M.S, de Serrano, V.S, Franzen, S.
登録日2022-09-17
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.481 Å)
主引用文献Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
J.Inorg.Biochem., 247, 2023
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
分子名称: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
著者Park, H, Mersal, K.I.
登録日2022-09-30
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
6GIM
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BU of 6gim by Molmil
Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18)
分子名称: DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION, [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
著者Millan, C.R, Dardonvile, C, de Koning, H.P, Saperas, N, Campos, J.L.
登録日2018-05-14
公開日2018-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
1JT9
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BU of 1jt9 by Molmil
Structure of the mutant F174A T form of the Glucosamine-6-Phosphate deaminase from E.coli
分子名称: Glucosamine-6-Phosphate deaminase
著者Bustos-Jaimes, I, Sosa-Peinado, A, Rudino-Pinera, E, Horjales, E, Calcagno, M.L.
登録日2001-08-20
公開日2002-02-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献On the role of the conformational flexibility of the active-site lid on the allosteric kinetics of glucosamine-6-phosphate deaminase.
J.Mol.Biol., 319, 2002

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