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4U0S
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Structure of Eukaryotic fic domain containing protein with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ...
著者Cole, A.R, Katan, M, Bunney, T.D.
登録日2014-07-14
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
5VML
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Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b with bound NADP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-27
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b with bound NADP
to be published
5VP1
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Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders
分子名称: MAGNESIUM ION, N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ...
著者Hoffman, I.D.
登録日2017-05-03
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), for the Treatment of Cognitive Disorders.
Chem. Pharm. Bull., 65, 2017
6KMN
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BU of 6kmn by Molmil
Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Deferrochelatase/peroxidase EfeB, ...
著者Dhankhar, P, Dalal, V, Mahto, J.K, Kumar, P.
登録日2019-07-31
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Characterization of dye-decolorizing peroxidase from Bacillus subtilis.
Arch.Biochem.Biophys., 693, 2020
6KNH
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BU of 6knh by Molmil
Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
分子名称: CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein
著者Tang, J, Ju, Y, Zhou, H.
登録日2019-08-05
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6KD5
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BU of 6kd5 by Molmil
Crystal structure of the extracellular domain of MSPL/TMPRSS13 in complex with dec-RVKR-cmk inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR, ...
著者Ohno, A, Maita, N, Okumura, Y, Nikawa, T.
登録日2019-06-30
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of inhibitor-bound human MSPL that can activate high pathogenic avian influenza.
Life Sci Alliance, 4, 2021
6KF8
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OsACBP2 in complex with C18:3-CoA
分子名称: Acyl-CoA-binding domain-containing protein 2
著者Jin, J, Chye, M.L.
登録日2019-07-06
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献OsACBP2 in complex with C18:3-CoA
To Be Published
5VG2
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BU of 5vg2 by Molmil
Intradiol ring-cleavage Dioxygenase from Tetranychus urticae
分子名称: CACODYLATE ION, FE (III) ION, Intradiol ring-cleavage Dioxygenase
著者Schlachter, C, Klapper, V, Chruszcz, M.
登録日2017-04-10
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
5VGI
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BU of 5vgi by Molmil
Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J.
登録日2017-04-11
公開日2017-09-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
6JVW
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BU of 6jvw by Molmil
Crystal structure of maleylpyruvate hydrolase from Sphingobium sp. SYK-6 in complex with manganese (II) ion and pyruvate
分子名称: GLYCEROL, MANGANESE (II) ION, PYRUVIC ACID, ...
著者Hong, H, Kim, K.-J.
登録日2019-04-17
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into a maleylpyruvate hydrolase from sphingobium sp. SYK-6, a bacterium degrading lignin-derived aryls.
Biochem.Biophys.Res.Commun., 514, 2019
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
5VGC
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BU of 5vgc by Molmil
Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Borek, D, Valleau, D, Skarina, T, Jobin, M.C, Wawrzak, Z, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-04-10
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
To Be Published
6K0O
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BU of 6k0o by Molmil
The crystal structure of human CD163-like homolog SRCR8
分子名称: Scavenger receptor cysteine-rich type 1 protein M160
著者Ma, H, Li, R, Jiang, L, Qiao, S, Zhang, G.
登録日2019-05-07
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural comparison of CD163 SRCR5 from different species sheds some light on its involvement in porcine reproductive and respiratory syndrome virus-2 infection in vitro.
Vet Res, 52, 2021
5VK1
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BU of 5vk1 by Molmil
Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
分子名称: Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI, Protein Mdm4
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-04-20
公開日2018-04-25
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
4U6E
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BU of 4u6e by Molmil
HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-04-20
公開日2018-04-25
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
5VRC
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BU of 5vrc by Molmil
Crystal structure for Methylobacterium extorquens PqqC (truncation of natural CD fusion)
分子名称: Bifunctional coenzyme PQQ synthesis protein C/D
著者Evans III, R.L, Wilmot, C.M, Esler, M.A.
登録日2017-05-10
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures for Methylobacterium extorquens PqqC from the CD natural fusion and the C truncation
Not published
5VRK
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BU of 5vrk by Molmil
Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - open form
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
登録日2017-05-10
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
5VVE
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BU of 5vve by Molmil
Crystal structure of phosphoglycerate mutase from Naegleria fowleri
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-05-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of phosphoglycerate mutase from Naegleria fowleri
TO BE PUBLISHED
5DWM
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BU of 5dwm by Molmil
Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
分子名称: 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-09-22
公開日2015-12-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
to be published
5VYD
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BU of 5vyd by Molmil
Crystal structure of phosphodiesterase domain of RhoPDE fusion protein from the Choanoflagellate Salpingoeca rosetta
分子名称: MAGNESIUM ION, Phosphodiesterase, ZINC ION
著者Prem Kumar, R, Lamarche, L.B, Oprian, D.D.
登録日2017-05-25
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Purification and Characterization of RhoPDE, a Retinylidene/Phosphodiesterase Fusion Protein and Potential Optogenetic Tool from the Choanoflagellate Salpingoeca rosetta.
Biochemistry, 56, 2017
4TX4
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BU of 4tx4 by Molmil
Crystal Structure of a Single-Domain Cysteine Protease Inhibitor from Cowpea (Vigna unguiculata)
分子名称: Cysteine proteinase inhibitor, SULFATE ION
著者Pereira, H.M, Valadares, N, Monteiro-Junior, J.E, Carvalho, C.P.S, Grangeiro, T.B.
登録日2014-07-02
公開日2015-10-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Expression in Escherichia coli of cysteine protease inhibitors from cowpea (Vigna unguiculata): The crystal structure of a single-domain cystatin gives insights on its thermal and pH stability.
Int. J. Biol. Macromol., 102, 2017
6KEB
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BU of 6keb by Molmil
Structure basis for Diltiazem block of a voltage-gated calcium channel
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ...
著者Tang, L.
登録日2019-07-04
公開日2019-10-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis for Diltiazem Block of a Voltage-Gated Ca2+Channel.
Mol.Pharmacol., 96, 2019
5VOO
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Methionine synthase folate-binding domain with methyltetrahydrofolate from Thermus thermophilus HB8
分子名称: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate homocysteine S-methyltransferase, CHLORIDE ION, ...
著者Koutmos, M, Yamada, K.
登録日2017-05-03
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'.
Acta Crystallogr D Struct Biol, 74, 2018
5VP8
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I38T mutant of 2009 H1N1 PA Endonuclease
分子名称: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-05-04
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018

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