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6UBZ
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BU of 6ubz by Molmil
Crystal structure of D678A GoxA bound to glycine at pH 5.5
分子名称: GLYCINE, MAGNESIUM ION, Uncharacterized protein GoxA
著者Yukl, E.T.
登録日2019-09-13
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase.
J.Biol.Chem., 294, 2019
4HTI
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BU of 4hti by Molmil
Crystallographic structure of the membrane-proximal ectodomain of the human receptor-type protein-tyrosine phosphatase phogrin
分子名称: Receptor-type tyrosine-protein phosphatase N2
著者Noguera, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
登録日2012-11-01
公開日2012-11-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献X-ray structure of the mature ectodomain of phogrin.
J.Struct.Funct.Genom., 16, 2015
1IHN
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BU of 1ihn by Molmil
MT938
分子名称: CHLORIDE ION, hypothetical protein MTH938
著者Das, K, Montelione, G.T, Arnold, E, Northeast Structural Genomics Consortium (NESG)
登録日2001-04-19
公開日2001-05-16
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystal structure of MTH938 from Methanobacterium thermoautotrophicum at 2.2 A resolution reveals a novel tertiary protein fold.
Proteins, 45, 2001
8C8T
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BU of 8c8t by Molmil
cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with bNAbs EPTC112 and 3BNC117
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Baquero, E, Molinos-Albert, L, Mouquet, H.
登録日2023-01-21
公開日2023-07-05
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Anti-V1/V3-glycan broadly HIV-1 neutralizing antibodies in a post-treatment controller.
Cell Host Microbe, 31, 2023
8CH4
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BU of 8ch4 by Molmil
Crystal structure of the ring cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp.
分子名称: 5-nitrosalicylic acid 1,2-dioxygenase, FE (III) ION
著者Ferraroni, M, Stolz, A, Eppinger, E.
登録日2023-02-07
公開日2023-07-05
最終更新日2023-07-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp.
Acta Crystallogr D Struct Biol, 79, 2023
6EB8
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BU of 6eb8 by Molmil
Crystal Structure of the Nipah Virus Phosphoprotein Multimerization Domain G519N
分子名称: Phosphoprotein
著者Bruhn, J.F, Saphire, E.O.
登録日2018-08-06
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Conserved Basic Patch and Central Kink in the Nipah Virus Phosphoprotein Multimerization Domain Are Essential for Polymerase Function.
Structure, 27, 2019
6E5D
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BU of 6e5d by Molmil
Crystal structure of LpqN involved in cell envelope biogenesis of Mycobacterium tuberculosis
分子名称: Lipid binding protein LpqN
著者Rajavel, M, Su, C.C, Yu, E.W.
登録日2018-07-20
公開日2019-07-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and functional evidence that lipoprotein LpqN supports cell envelope biogenesis inMycobacterium tuberculosis.
J.Biol.Chem., 294, 2019
4PHN
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BU of 4phn by Molmil
The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids
分子名称: CALCIUM ION, Calpain small subunit 1
著者Allemann, R.K, Rizkallah, P.J, Adams, S.E, Miller, D.J, Hallett, M.B.
登録日2014-05-06
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
4PS0
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BU of 4ps0 by Molmil
Caspase-8 specific unnatural amino acid peptides
分子名称: (BAL)LQ(HYP)(1U8) PEPTIDE, Caspase-3
著者Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
登録日2014-03-06
公開日2015-01-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
3EIW
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BU of 3eiw by Molmil
Crystal structure of Staphylococcus aureus lipoprotein, HtsA
分子名称: CHLORIDE ION, HtsA protein
著者Grigg, J.C, Murphy, M.E.P.
登録日2008-09-17
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization of staphyloferrin A biosynthetic and transport mutants in Staphylococcus aureus.
Mol.Microbiol., 72, 2009
6EF6
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BU of 6ef6 by Molmil
Structure of the microcompartment-associated aminopropanol kinase
分子名称: (2R)-1-methoxypropan-2-amine, ACETATE ION, Aminoglycoside phosphotransferase, ...
著者Mallette, E, Kimber, M.S.
登録日2018-08-16
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and kinetic characterization of (S)-1-amino-2-propanol kinase from the aminoacetone utilization microcompartment ofMycobacterium smegmatis.
J.Biol.Chem., 293, 2018
8CR6
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BU of 8cr6 by Molmil
mouse Interleukin-12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit alpha, Interleukin-12 subunit beta, ...
著者Merceron, R, Felix, J, Lambert, E, Bloch, Y, Savvides, S.N.
登録日2023-03-07
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
4HLW
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BU of 4hlw by Molmil
Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives.
分子名称: 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole, Androgen receptor, GLYCEROL, ...
著者Ravi, S.N.M, Leblanc, E, Axerio-Cilies, P, Labriere, C, Frewin, K, Hassona, M.D.H, Lack, N.A, Han, F.Q, Guns, E.S, Young, R, Ban, F, Rennie, P.S, Cherkasov, A.
登録日2012-10-17
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives.
J.Med.Chem., 56, 2013
6U9I
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BU of 6u9i by Molmil
Crystal structure of BvnE pinacolase from Penicillium brevicompactum
分子名称: BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S.
登録日2019-09-09
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Fungal-derived brevianamide assembly by a stereoselective semipinacolase.
Nat Catal, 3, 2020
6U43
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BU of 6u43 by Molmil
Crystal structure of Methanoperedens nitroreducens elongation factor 2 H595N bound to GMPPCP and magnesium (triclinic crystal form)
分子名称: CHLORIDE ION, Elongation factor 2, MAGNESIUM ION, ...
著者Fenwick, M.K, Ealick, S.E.
登録日2019-08-22
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of elongation factor 2 switching
Curr Res Struct Biol, 2, 2020
8CON
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BU of 8con by Molmil
Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-P, ...
著者Fermani, S, Fanti, S, Carloni, G, Falini, G, Meloni, M, Zaffagnini, M.
登録日2023-02-28
公開日2024-02-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
8CEX
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BU of 8cex by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227
分子名称: 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Kosenina, S, Scaletti, E.R, Stenmark, P.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227
To Be Published
4HQI
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BU of 4hqi by Molmil
Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex
分子名称: SPERMINE, STRONTIUM ION, Short modified nucleic acids
著者Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P.
登録日2012-10-25
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
3EAH
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BU of 3eah by Molmil
Structure of inhibited human eNOS oxygenase domain
分子名称: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-25
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
4PKL
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BU of 4pkl by Molmil
Bromodomain of Trypanosoma brucei BDF2 With IBET-151
分子名称: 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, Bromodomain factor 2, CHLORIDE ION, ...
著者Debler, E.W.
登録日2014-05-15
公開日2015-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Bromodomain Proteins Contribute to Maintenance of Bloodstream Form Stage Identity in the African Trypanosome.
Plos Biol., 13, 2015
2IO6
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BU of 2io6 by Molmil
Wee1 kinase complexed with inhibitor PD330961
分子名称: 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase
著者Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
登録日2006-10-10
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
2R5F
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BU of 2r5f by Molmil
Putative sugar-binding domain of transcriptional regulator DeoR from Pseudomonas syringae pv. tomato
分子名称: SULFATE ION, Transcriptional regulator, putative
著者Cuff, M.E, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-09-03
公開日2007-09-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Putative sugar-binding domain of trancsriptional regulator DeoR from Pseudomonas syringae pv. tomato.
TO BE PUBLISHED
8CEY
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BU of 8cey by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
著者Kosenina, S, Scaletti, E.R, Stenmark, P.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
To Be Published
2R9P
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BU of 2r9p by Molmil
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor(BPTI)
分子名称: Pancreatic trypsin inhibitor, SULFATE ION, Trypsin-3
著者Salameh, M.A, Soares, A.S, Radisky, E.S.
登録日2007-09-13
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis for Accelerated Cleavage of Bovine Pancreatic Trypsin Inhibitor (BPTI) by Human Mesotrypsin.
J.Biol.Chem., 283, 2008
4PRZ
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BU of 4prz by Molmil
Caspase-8 specific unnatural amino acid peptides
分子名称: (ACE)LET(1U8) PEPTIDE, Caspase-8, DITHIANE DIOL
著者Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
登録日2014-03-06
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.123 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014

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