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6SIW
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BU of 6siw by Molmil
PaaK family AMP-ligase with AMP
分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE MONOPHOSPHATE, ...
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
3DV9
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BU of 3dv9 by Molmil
Putative beta-phosphoglucomutase from Bacteroides vulgatus.
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Osipiuk, J, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-07-18
公開日2008-08-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献X-ray crystal structure of putative beta-phosphoglucomutase from Bacteroides vulgatus.
To be Published
5NC9
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BU of 5nc9 by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2,6-diamino-N-hydroxyhexanamide
分子名称: (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Giastas, P, Andreou, A, Eliopoulos, E.E.
登録日2017-03-03
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
6RU4
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BU of 6ru4 by Molmil
Structure of the SBP FpvC from pseudomonas aeruginosa in complex with Mn2+
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Morera, S, Vigouroux, A.
登録日2019-05-27
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa.
Febs J., 287, 2020
4OCA
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BU of 4oca by Molmil
Cryatal structure of ArnB K188A complexted with PLP and UDP-Ara4N
分子名称: (2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyr an-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase
著者Sousa, M.C, Lee, M.
登録日2014-01-08
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Substrate Specificity in ArnB. A Key Enzyme in the Polymyxin Resistance Pathway of Gram-Negative Bacteria.
Biochemistry, 53, 2014
8JFK
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BU of 8jfk by Molmil
PhK holoenzyme in inactive state, muscle isoform
分子名称: Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
著者Yang, X.K, Xiao, J.Y.
登録日2023-05-18
公開日2024-04-03
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
6S6R
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BU of 6s6r by Molmil
First crystal structure of parasitic PEX14 in complex with a fragment molecule 1H-indole-7-carboxylic acid
分子名称: 1~{H}-indole-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hassaan, E, Heine, A, Klebe, G.
登録日2019-07-03
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.580009 Å)
主引用文献First crystal structure of parasitic PEX14 in complex with a fragment molecule 1H-indole-7-carboxylic acid
To Be Published
5H5X
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BU of 5h5x by Molmil
Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Kong, X.-D, Xu, J.-H, Zhou, J.
登録日2016-11-10
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
To Be Published
9CXR
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BU of 9cxr by Molmil
X-ray Crystallographic Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 at Room Temperature
分子名称: 1,2-ETHANEDIOL, Poly(hexamethylene adipamide) hydrolase, SODIUM ION, ...
著者Meilleur, F, Williams, A.N, Drufva, E.E, Parks, J.M, Chen, S.H, Michener, J.K.
登録日2024-07-31
公開日2025-01-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification and characterization of substrate- and product-selective nylon hydrolases.
Biorxiv, 2024
6INM
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BU of 6inm by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-26
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
3E1X
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BU of 3e1x by Molmil
The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution
分子名称: GLYCEROL, Prostasin
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-08-04
公開日2009-05-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
8JJ3
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BU of 8jj3 by Molmil
Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 2.5
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel
著者Bharambe, N, Li, Z, Basak, S.
登録日2023-05-29
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (2.6476 Å)
主引用文献Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment.
Nat Commun, 15, 2024
6RGR
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BU of 6rgr by Molmil
Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-17
公開日2020-07-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
5NQC
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BU of 5nqc by Molmil
CK2alpha in complex with NMR154
分子名称: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Casein kinase II subunit alpha
著者Seetoh, W.-G, Stubbs, C.J.
登録日2017-04-19
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Disrupting the CK2alpha-CK2beta protein-protein interaction within the protein kinase CK2 heterotetramer using a fragment-based approach
To Be Published
5NND
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BU of 5nnd by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H3
著者Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2017-04-08
公開日2018-05-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
7CTT
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BU of 7ctt by Molmil
Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state.
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Peng, Q, Peng, R, Shi, Y.
登録日2020-08-20
公開日2020-09-02
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Basis of SARS-CoV-2 Polymerase Inhibition by Favipiravir.
Innovation (N Y), 2, 2021
5NON
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BU of 5non by Molmil
Structure of truncated Norcoclaurine Synthase from Thalictrum flavum with product mimic
分子名称: 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase
著者Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H.
登録日2017-04-12
公開日2017-09-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase.
Biochemistry, 56, 2017
8DMQ
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BU of 8dmq by Molmil
Crystal structure of Legionella pneumophila macrodomain MavL in complex with ubiquitin vinyl methyl ester
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, METHYL 4-AMINOBUTANOATE, ...
著者Zhang, Z, Das, C.
登録日2022-07-08
公開日2023-07-12
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Legionella metaeffector MavL reverses ubiquitin ADP-ribosylation via a conserved arginine-specific macrodomain.
Nat Commun, 15, 2024
8E8L
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BU of 8e8l by Molmil
9H2 Fab-poliovirus 1 complex
分子名称: 9H2 Fab heavy chain, 9H2 Fab light chain, Capsid protein VP1, ...
著者Charnesky, A.J.
登録日2022-08-25
公開日2023-06-21
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献A human monoclonal antibody binds within the poliovirus receptor-binding site to neutralize all three serotypes.
Nat Commun, 14, 2023
3NEH
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BU of 3neh by Molmil
Crystal structure of the protein LMO2462 from Listeria monocytogenes complexed with ZN and phosphonate mimic of dipeptide L-Leu-D-Ala
分子名称: (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid, Renal dipeptidase family protein, ZINC ION
著者Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-06-08
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Crystal structure of the protein LMO2462 from Listeria monocytogenes complexed with ZN and phosphonate mimic of dipeptide L-Leu-D-Ala
To be Published
5C2I
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BU of 5c2i by Molmil
Crystal structure of Anabaena sp. DyP-type peroxidese (AnaPX)
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Alr1585 protein, ...
著者Yoshida, T, Amano, Y, Tsuge, H, Sugano, Y.
登録日2015-06-16
公開日2015-12-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Anabaena sp. DyP-type peroxidase is a tetramer consisting of two asymmetric dimers.
Proteins, 84, 2016
6S0I
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BU of 6s0i by Molmil
Crystal structure of Escherichia coli Glyoxalase II with L-Tartrate in the active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hydroxyacylglutathione hydrolase GloB, L(+)-TARTARIC ACID, ...
著者Skorupskaite, A, McDonough, M.A, Schofield, C.J.
登録日2019-06-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal structure of Escherichia coli Glyoxalase II
To Be Published
6U9R
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BU of 6u9r by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
6S6L
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BU of 6s6l by Molmil
Cryo-EM structure of murine norovirus (MNV-1)
分子名称: Capsid protein
著者Snowden, J.S, Hurdiss, D.L, Adeyemi, O.O, Ranson, N.A, Herod, M.R, Stonehouse, N.J.
登録日2019-07-03
公開日2020-05-13
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Dynamics in the murine norovirus capsid revealed by high-resolution cryo-EM.
Plos Biol., 18, 2020
3G0M
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BU of 3g0m by Molmil
Crystal structure of cysteine desulfuration protein SufE from Salmonella typhimurium LT2
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Cysteine desulfuration protein sufE, ...
著者Nocek, B, Maltseva, N, Stam, J, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-01-28
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of cysteine desulfuration protein SufE from Salmonella typhimurium LT2
To be Published

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件を2025-12-03に公開中

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