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8TAW
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The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
分子名称: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-06-28
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
7LKJ
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BU of 7lkj by Molmil
Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA)
分子名称: 1,2-ETHANEDIOL, Aminofutalosine deaminase, FE (III) ION
著者Harijan, R.K, Feng, M, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2021-02-02
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Aminofutalosine Deaminase in the Menaquinone Pathway of Helicobacter pylori .
Biochemistry, 60, 2021
7LKK
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Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA) in complex with Methylthio-coformycin
分子名称: (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, 1,2-ETHANEDIOL, Aminofutalosine deaminase, ...
著者Harijan, R.K, Feng, M, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2021-02-02
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Aminofutalosine Deaminase in the Menaquinone Pathway of Helicobacter pylori .
Biochemistry, 60, 2021
5W41
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BU of 5w41 by Molmil
Zika MR766 NLS in complex with Importin alpha subunit-1
分子名称: Importin subunit alpha-1, ZIKA MR766 NLS
著者Jeffress, S, Smith, K.M, Forwood, J.K.
登録日2017-06-08
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Zika virus NS5 forms supramolecular nuclear bodies that sequester importin alpha and modulate the host immune and pro-inflammatory response in neuronal cells.
ACS Infect Dis, 2019
6XQP
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BU of 6xqp by Molmil
Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ...
著者Awad, W, Rossjohn, J.
登録日2020-07-10
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
7PQ6
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BU of 7pq6 by Molmil
Crystal Structure of the Ring Nuclease 0811 mutant-S12A from Sulfolobus islandicus (Sis0811)
分子名称: CRISPR-associated protein, APE2256 family
著者Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G.
登録日2021-09-16
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases.
Nucleic Acids Res., 49, 2021
8TNK
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BU of 8tnk by Molmil
The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
分子名称: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-08-02
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
7PLC
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BU of 7plc by Molmil
Caulobacter crescentus xylonolactonase with D-xylose, P21 space group
分子名称: FE (II) ION, SULFATE ION, Smp-30/Cgr1 family protein, ...
著者Paakkonen, J, Hakulinen, N, Rouvinen, J.
登録日2021-08-30
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family.
Protein Sci., 31, 2022
8SWZ
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PARP4 ART domain bound to EB47
分子名称: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4
著者Frigon, L, Pascal, J.M.
登録日2023-05-19
公開日2023-11-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
8BCS
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BU of 8bcs by Molmil
X-ray crystal structure of a de novo designed helix-loop-helix homodimer in an anti arrangement, CC-HP1.0
分子名称: ACETATE ION, CC-HP1.0
著者Edgell, C.L, Mylemans, B, Naudin, E.A, Smith, A.J, Savery, N.J, Woolfson, D.N.
登録日2022-10-17
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology.
Acs Synth Biol, 12, 2023
5W4Q
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BU of 5w4q by Molmil
Structure of the R18A/E28A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-06-12
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
6XX2
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BU of 6xx2 by Molmil
Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Cu(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
分子名称: COPPER (II) ION, Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2020-01-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6QQQ
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BU of 6qqq by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6DLX
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BU of 6dlx by Molmil
FtsY-NG domain bound to fragment 3.
分子名称: 4-bromo-2,5-dimethoxyaniline, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Ataide, F.S, Faoro, C.
登録日2018-06-04
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Discovery of fragments that target key interactions in the signal recognition particle (SRP) as potential leads for a new class of antibiotics.
PLoS ONE, 13, 2018
7RLS
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BU of 7rls by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68
分子名称: 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
6QQU
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BU of 6qqu by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
7R85
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Structure of mouse Bai1 (ADGRB1) TSR3 domain
分子名称: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
著者Miao, Y, Jude, K.M, Garcia, K.C.
登録日2021-06-26
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
5VYL
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BU of 5vyl by Molmil
Crystal Structure of N-terminal half of Herpes Simplex virus Type 1 UL37 protein
分子名称: Inner tegument protein, SODIUM ION
著者Koenigsberg, A, Heldwein, E.E.
登録日2017-05-25
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Crystal Structure of the N-Terminal Half of the Traffic Controller UL37 from Herpes Simplex Virus 1.
J. Virol., 91, 2017
5HUC
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BU of 5huc by Molmil
DAHP synthase from Corynebacterium glutamicum
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, MANGANESE (II) ION, ...
著者Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
登録日2016-01-27
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
6QVG
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Human SHMT2 in complex with lometrexol
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P.
登録日2019-03-01
公開日2019-09-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs.
Febs Lett., 593, 2019
6D4W
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BU of 6d4w by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)
分子名称: 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
5W5C
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BU of 5w5c by Molmil
Crystal structure of the primed SNARE-Complexin-Synaptotagmin-1 C2AB complex
分子名称: Complexin-1, GLYCEROL, MAGNESIUM ION, ...
著者Zhou, Q, Brunger, A.T.
登録日2017-06-14
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The primed SNARE-complexin-synaptotagmin complex for neuronal exocytosis.
Nature, 548, 2017
6Z3O
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BU of 6z3o by Molmil
The E74Q mutant of Small Alarmone Hydrolase SAH from Pseudomonas aeruginosa PAO1
分子名称: MANGANESE (II) ION, Small Alarmone Hydrolase
著者Jin, Y, Rizkallah, P, Bell, H.
登録日2020-05-21
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Apo Structure of a Small Alarmone Hydrolase from Pseudomonas aeruginosa PAO1
To Be Published
6IU9
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Crystal structure of cytoplasmic metal binding domain with iron ions
分子名称: FE (II) ION, VIT1, ZINC ION
著者Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
登録日2018-11-27
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
6GRG
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E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
登録日2018-06-11
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019

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件を2024-08-28に公開中

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