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7YC4
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BU of 7yc4 by Molmil
Acetylesterase (LgEstI) F207A
分子名称: Alpha/beta hydrolase
著者Do, H, Lee, J.H.
登録日2022-06-30
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and biochemical analysis of acetylesterase (LgEstI) from Lactococcus garvieae.
Plos One, 18, 2023
5U5Z
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BU of 5u5z by Molmil
CcP gateless cavity
分子名称: 4-methyl-2-phenyl-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
著者Fischer, M, Shoichet, B.K.
登録日2016-12-07
公開日2017-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G4Y
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BU of 5g4y by Molmil
Structural basis for carboxylic acid recognition by a Cache chemosensory domain.
分子名称: Methyl-accepting chemotaxis sensory transducer with Cache sensor, UNKNOWN LIGAND
著者Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L.
登録日2016-05-18
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae.
Sci Rep, 6, 2016
7ULQ
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BU of 7ulq by Molmil
Recombinant Hannalgesin
分子名称: ACETATE ION, GLYCEROL, Long neurotoxin OH-55, ...
著者Xu, J, Lei, X, Chen, L.
登録日2022-04-05
公開日2023-05-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of recombinant Hannalgesin at 2.2 Angstroms resolution.
To Be Published
8JS6
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BU of 8js6 by Molmil
Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme
分子名称: CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
登録日2023-06-19
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
5TZP
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BU of 5tzp by Molmil
Crystal structure of FPV039:Bik BH3 complex
分子名称: 1,2-ETHANEDIOL, Bcl-2-like protein FPV039, Bik, ...
著者Anasir, M.I, Kvansakul, M.
登録日2016-11-22
公開日2017-05-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of apoptosis inhibition by the fowlpox virus protein FPV039.
J. Biol. Chem., 292, 2017
8U8W
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BU of 8u8w by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate and halides bound)
分子名称: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate and halides bound)
To be published
5G57
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Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-001
分子名称: (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2016-05-22
公開日2017-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
8U97
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BU of 8u97 by Molmil
Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (AMP-PNP bound)
分子名称: Dephospho-CoA kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (AMP-PNP bound)
To be published
5C6C
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BU of 5c6c by Molmil
PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ...
著者Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
登録日2015-06-22
公開日2016-01-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
7P6F
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BU of 7p6f by Molmil
1.93 A resolution X-ray crystal structure of the transcriptional regulator SrnR from Streptomyces griseus
分子名称: ACETATE ION, SODIUM ION, Transcriptional regulator SrnR
著者Mazzei, L, Ciurli, S.
登録日2021-07-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure, dynamics, and function of SrnR, a transcription factor for nickel-dependent gene expression.
Metallomics, 13, 2021
5C6K
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BU of 5c6k by Molmil
Bacteriophage P2 integrase catalytic domain
分子名称: Integrase
著者Skaar, K, Claesson, M, Odegrip, R, Eriksson, J, Hogbom, M, Haggard-Ljungquist, E, Stenmark, P.
登録日2015-06-23
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the bacteriophage P2 integrase catalytic domain.
Febs Lett., 589, 2015
8QW3
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BU of 8qw3 by Molmil
Human NDPK-C in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase 3, SULFATE ION
著者Werten, S, Amjadi, R, Scheffzek, K.
登録日2023-10-18
公開日2024-09-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.255 Å)
主引用文献Mechanistic Insights into Substrate Recognition of Human Nucleoside Diphosphate Kinase C Based on Nucleotide-Induced Structural Changes.
Int J Mol Sci, 25, 2024
7MQT
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BU of 7mqt by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300) with 5-deoxy substrate bound
分子名称: 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose, CHLORIDE ION, CITRIC ACID, ...
著者Currie, M.J, Dobson, R.C.J.
登録日2021-05-06
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
7PAC
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BU of 7pac by Molmil
The crystal structure of PDE6D in the apo state
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7UW3
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BU of 7uw3 by Molmil
Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain
分子名称: Nucleoprotein
著者Calero, G.
登録日2022-05-02
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic-Resolution Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain.
J.Am.Chem.Soc., 144, 2022
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Chen, S.J, Ye, F.
登録日2016-08-31
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
7OPT
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BU of 7opt by Molmil
Crystal structure of Trypanosoma cruzi peroxidase
分子名称: Ascorbate peroxidase, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Freeman, S.L, Kwon, H, Skafar, V, Fielding, A.J, Martinez, A, Piacenza, L, Radi, R, Raven, E.L.
登録日2021-06-01
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of Trypanosoma cruzi heme peroxidase and characterization of its substrate specificity and compound I intermediate.
J.Biol.Chem., 298, 2022
7UXV
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BU of 7uxv by Molmil
human triosephosphate isomerase mutant G122R
分子名称: 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Romero, J.M.
登録日2022-05-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献human triosephosphate isomerase mutant G122R
To Be Published
7MFN
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BU of 7mfn by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase E180A from Staphylococcus aureus (strain MRSA USA300)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Currie, M.J, Dobson, R.C.J.
登録日2021-04-10
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
8UF5
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BU of 8uf5 by Molmil
Catalytic domain of GtfB in complex with inhibitor G43
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Schormann, N, Deivanayagam, C, Velu, S.
登録日2023-10-03
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
5TOH
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BU of 5toh by Molmil
Crystal Structure of the Marburg Virus VP35 Oligomerization Domain I2
分子名称: Polymerase cofactor VP35
著者Bruhn, J.F, Kirchdoerfer, R.N, Tickle, I.J, Bricogne, G, Saphire, E.O.
登録日2016-10-17
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal Structure of the Marburg Virus VP35 Oligomerization Domain.
J. Virol., 91, 2017
8UC2
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BU of 8uc2 by Molmil
Ethylene forming enzyme (EFE) R171A variant in complex with nickel and Benzoic acid
分子名称: 1,2-ETHANEDIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, BENZOIC ACID, ...
著者Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.
登録日2023-09-25
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 63, 2024
7Y0S
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BU of 7y0s by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, I7X-TYR-TYR, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2022-06-06
公開日2023-06-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine
To Be Published
8QJP
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BU of 8qjp by Molmil
SmNuc1 nuclease from Stenotrophomonas maltophilia in complex with uridine - 5'- monophosphate
分子名称: GLYCEROL, PHOSPHATE ION, S1/P1 Nuclease, ...
著者Adamkova, K, Koval, T, Kolenko, P, Dohnalek, J.
登録日2023-09-13
公開日2024-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Substrate preference, RNA binding and active site versatility of Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study.
Febs J., 2024

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