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4WCJ
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BU of 4wcj by Molmil
Structure of IcaB from Ammonifex degensii
分子名称: CHLORIDE ION, Polysaccharide deacetylase, ZINC ION
著者Little, D.J, Bamford, N.C, Pokrovskaya, V, Robinson, H, Nitz, M, Howell, P.L.
登録日2014-09-04
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for the De-N-acetylation of Poly-beta-1,6-N-acetyl-d-glucosamine in Gram-positive Bacteria.
J.Biol.Chem., 289, 2014
4WCX
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BU of 4wcx by Molmil
Crystal structure of HydG: A maturase of the [FeFe]-hydrogenase
分子名称: ALANINE, Biotin and thiamin synthesis associated, FE (III) ION, ...
著者Dinis, P.C, Harmer, J.E, Driesener, R.C, Roach, P.L.
登録日2014-09-05
公開日2015-02-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
4UW2
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BU of 4uw2 by Molmil
Crystal structure of Csm1 in T.onnurineus
分子名称: CSM1
著者Jung, T.Y, An, Y, Park, K.H, Lee, M.H, Oh, B.H, Woo, E.J.
登録日2014-08-08
公開日2015-03-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.632 Å)
主引用文献Crystal Structure of the Csm1 Subunit of the Csm Complex and its Single-Stranded DNA-Specific Nuclease Activity.
Structure, 23, 2015
4URD
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BU of 4urd by Molmil
Cryo-EM map of Trigger Factor bound to a translating ribosome
分子名称: TRIGGER FACTOR
著者Deeng, J, Chan, K.Y, van der Sluis, E, Bischoff, L, Berninghausen, O, Han, W, Gumbart, J, Schulten, K, Beatrix, B, Beckmann, R.
登録日2014-06-27
公開日2016-01-13
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Dynamic Behavior of Trigger Factor on the Ribosome.
J.Mol.Biol., 428, 2016
4V0S
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BU of 4v0s by Molmil
Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative
分子名称: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ...
著者Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-09-18
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
6NFK
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BU of 6nfk by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B with loop 7 from APOBEC3G bound to iodide
分子名称: 1,2-ETHANEDIOL, DNA dC->dU-editing enzyme APOBEC-3B, IODIDE ION
著者Shi, K, Orellana, K, Aihara, H.
登録日2018-12-20
公開日2019-12-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Active site plasticity and possible modes of chemical inhibition of the human DNA deaminase APOBEC3B
Faseb Bioadv, 2, 2020
6NFP
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BU of 6nfp by Molmil
1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
分子名称: 1,2-ETHANEDIOL, Arginase, CHLORIDE ION, ...
著者Minasov, G, Wawrzak, Z, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-20
公開日2019-01-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
To Be Published
6NGA
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BU of 6nga by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2018-12-21
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
4WDX
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BU of 4wdx by Molmil
17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
著者Amano, Y, Yamaguchi, T.
登録日2014-09-09
公開日2015-04-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
6NGK
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BU of 6ngk by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)prop-1-yn-1-yl)-5-fluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2018-12-21
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
4USI
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BU of 4usi by Molmil
Nitrogen regulatory protein PII from Chlamydomonas reinhardtii in complex with MgATP and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chellamuthu, V.R, Forchhammer, K, Hartmann, M.D.
登録日2014-07-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Widespread Glutamine-Sensing Mechanism in the Plant Kingdom.
Cell(Cambridge,Mass.), 159, 2014
6NGY
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BU of 6ngy by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2018-12-21
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
4USR
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BU of 4usr by Molmil
Structure of flavin-containing monooxygenase from Pseudomonas stutzeri NF13
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MONOOXYGENASE
著者Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G.
登録日2014-07-11
公開日2014-10-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
4USX
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The Structure of the C-terminal YadA-like domain of BPSL2063 from Burkholderia pseudomallei
分子名称: MAGNESIUM ION, TRIMERIC AUTOTRANSPORTER ADHESIN
著者Perletti, L, Gourlay, L.J, Peano, C, Pietrelli, A, DeBellis, G, Deantonio, C, Santoro, C, Sblattero, D, Bolognesi, M.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selecting Soluble/Foldable Protein Domains Through Single-Gene or Genomic Orf Filtering: Structure of the Head Domain of Burkholderia Pseudomallei Antigen Bpsl2063.
Acta Crystallogr.,Sect.D, 71, 2015
6NHE
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BU of 6nhe by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2018-12-21
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NI4
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BU of 6ni4 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI8
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BU of 6ni8 by Molmil
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cysteine modification can gate non-equilibrium conformational dynamics during enzyme catalysis
Biorxiv, 2019
6NJP
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Structure of the assembled ATPase EscN in complex with its central stalk EscO from the enteropathogenic E. coli (EPEC) type III secretion system
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, EscO, ...
著者Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J.
登録日2019-01-03
公開日2019-02-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry.
Nat Commun, 10, 2019
6ZYF
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Notum_Ghrelin complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-07-31
公開日2021-03-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Notum deacylates octanoylated ghrelin.
Mol Metab, 49, 2021
4UXL
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BU of 4uxl by Molmil
Structure of Human ROS1 Kinase Domain in Complex with PF-06463922
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2014-08-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
6NKH
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Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
分子名称: Short chain dehydrogenase
著者Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
登録日2019-01-07
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
4USM
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BU of 4usm by Molmil
WcbL complex with glycerol bound to sugar site
分子名称: CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE
著者Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
登録日2014-07-10
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
6NBR
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BU of 6nbr by Molmil
Crystal Structure of Piper methysticum Kavalactone Reductase 1 in complex with NADP
分子名称: Kavalactone reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Pluskal, T, Weng, J.K.
登録日2018-12-09
公開日2019-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The biosynthetic origin of psychoactive kavalactones in kava.
Nat.Plants, 5, 2019
6NC7
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Lipid II flippase MurJ, inward open conformation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, SULFATE ION
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
6NCZ
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Crystal structure of hybrid beta-glucuronidase/beta-galacturonidase from Fusicatenibacter saccharivorans bound to phenyl-thio-beta-D-glucuronide
分子名称: Beta-glucuronidase, GLYCEROL, phenyl 1-thio-beta-D-glucopyranosiduronic acid
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-12-12
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019

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