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6FWF
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BU of 6fwf by Molmil
Low resolution structure of Neisseria meningitidis qNOR
分子名称: CALCIUM ION, FE (III) ION, Nitric-oxide reductase, ...
著者Young, D, Antonyuk, S, Tosha, T, Hisano, T, Hasnain, S, Shiro, Y.
登録日2018-03-06
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme.
Sci Rep, 8, 2018
7LF3
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BU of 7lf3 by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol-lactone AJH-836
分子名称: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ...
著者Katti, S.S, Krieger, I.V.
登録日2021-01-15
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
6Z4Q
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BU of 6z4q by Molmil
Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A
分子名称: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-05-25
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
8TNE
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BU of 8tne by Molmil
Crystal structure of bacterial pectin methylesterase Pme8A from rumen Butyrivibrio
分子名称: 1,2-ETHANEDIOL, Pectinesterase
著者Carbone, V, Reilly, K, Sang, C, Schofield, L, Ronimus, R, Kelly, W.J, Attwood, G.T, Palevich, N.
登録日2023-08-01
公開日2023-08-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Bacterial Pectin Methylesterases Pme8A and PmeC2 from Rumen Butyrivibrio .
Int J Mol Sci, 24, 2023
6G9K
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BU of 6g9k by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-11
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
7QRL
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BU of 7qrl by Molmil
LytM domain of DipM, a coordinator of a complex net of autolysins in Caulobacter crescentus
分子名称: DipM
著者Batuecas, M.T, Miguel-Ruano, V, Hermoso, J.A.
登録日2022-01-11
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献LytM domain of DipM, a coordinator of a complex net of autolysins in Caulobacter crescentus
Nat Commun, 2023
6ZIN
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BU of 6zin by Molmil
Crystal structure of the neurotensin receptor 1 in complex with the small molecule inverse agonist SR48692
分子名称: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-06-26
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
8T8K
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BU of 8t8k by Molmil
Structure of Domain of Unknown Function 507 (DUF507) in Space Group C222(1)
分子名称: DUF507 family protein, HEXANE-1,6-DIOL
著者Tanner, J.J, McKay, C.E.
登録日2023-06-22
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of domain of unknown function 507 (DUF507) reveals a new protein fold.
Sci Rep, 13, 2023
5HY0
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BU of 5hy0 by Molmil
orotic acid hydrolase
分子名称: GLYCEROL, Ring-opening amidohydrolase
著者Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
登録日2016-02-01
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
6QY7
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BU of 6qy7 by Molmil
Human CSNK2A1 bound to ERB-041
分子名称: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, CHLORIDE ION, Casein kinase II subunit alpha
著者Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CSNK2A1 bound to ERB-041
To Be Published
7QOZ
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BU of 7qoz by Molmil
Crystal structure of NAD-bound glycosomal malate dehydrogenase from Trypanosoma cruzi
分子名称: GLYCEROL, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sonani, R.R, Dubin, G.
登録日2021-12-30
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of NAD-bound glycosomal malate dehydrogenase from Trypanosoma cruzi
To Be Published
6Z8N
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BU of 6z8n by Molmil
Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist SRI-9829
分子名称: (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1)
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-06-02
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6G9R
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BU of 6g9r by Molmil
Murine class I major histocompatibility complex H-2 Db in complex with self-antigen derived from dopamine monooxygenase.
分子名称: Beta-2-microglobulin, Dopamine beta-hydroxylase, H-2 class I histocompatibility antigen, ...
著者Achour, A, Sandalova, T, Allerbring, E.
登録日2018-04-11
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for CD8+ T cells auto-reactivity in LCMV infection
to be published
6BMN
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BU of 6bmn by Molmil
Structure of human DHHC20 palmitoyltransferase, space group P63
分子名称: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ZINC ION, ...
著者Rana, M.S, Lee, C.-J, Banerjee, A.
登録日2017-11-15
公開日2018-01-24
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
5VDF
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BU of 5vdf by Molmil
Crystal Structure of Cu(I)-loaded yeast Atx1: Crystal Form II
分子名称: COPPER (I) ION, Metal homeostasis factor ATX1
著者Lee, M, Maher, M.J.
登録日2017-04-02
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The crystal structures of a copper-bound metallochaperone from Saccharomyces cerevisiae.
J. Inorg. Biochem., 177, 2017
8BGM
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BU of 8bgm by Molmil
Crystal structure of the OrfX1-OrfX3 complex from the PMP1 neurotoxin gene cluster
分子名称: Toxin
著者Kosenina, S, Stenmark, P.
登録日2022-10-28
公開日2022-12-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the OrfX1-OrfX3 complex from the PMP1 neurotoxin gene cluster.
Febs Lett., 597, 2023
7QVD
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BU of 7qvd by Molmil
X-ray structure of the lytic transglycosylase SltB2 from Pseudomonas aeruginosa
分子名称: CALCIUM ION, Lytic murein transglycosylase
著者Batuecas, M.T, Miguel-Ruano, V, Hermoso, J.A.
登録日2022-01-21
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray structure of SltB2 from Pseudomonas aeruginosa
To Be Published
6HE3
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BU of 6he3 by Molmil
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, SODIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
8BNT
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BU of 8bnt by Molmil
The DH domain of ARHGEF2 bound to RhoA
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ...
著者Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E.
登録日2022-11-25
公開日2022-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The DH domain of ARHGEF2 bound to RhoA
To Be Published
6FX3
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BU of 6fx3 by Molmil
crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide
分子名称: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, lectin
著者Cabanettes, A, Varrot, A.
登録日2018-03-08
公開日2018-07-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Angew. Chem. Int. Ed. Engl., 57, 2018
6BH7
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BU of 6bh7 by Molmil
Phosphotriesterase variant R18+254S
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-10-30
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphotriesterase variant R18+254S
To Be Published
6QY9
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BU of 6qy9 by Molmil
Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile, CHLORIDE ION, ...
著者Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2019-03-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
To Be Published
6YVR
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BU of 6yvr by Molmil
Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13
分子名称: Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin crystallisation chaperone, neurotensin NTS8-13 (full agonist), nonyl beta-D-glucopyranoside
著者Deluigi, M, Merklinger, L, Hilge, M, Ernst, P, Klipp, A, Klenk, C, Plueckthun, A.
登録日2020-04-28
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.458 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
5HAG
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BU of 5hag by Molmil
Structure of Chlamydia trachomatis effector protein ChlaDUB1
分子名称: Deubiquitinase and deneddylase Dub1, GLYCEROL
著者Pruneda, J.N, Komander, D.
登録日2015-12-30
公開日2016-07-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
6ZIX
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BU of 6zix by Molmil
Structure of RcsB from Salmonella enterica serovar Typhimurium bound to promoter P1flhDC in the presence of phosphomimetic BeF3-
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, P1flhDC promoter sequence of 23 bp, ...
著者Huesa, J, Marina, A, Casino, P.
登録日2020-06-26
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon.
Nucleic Acids Res., 49, 2021

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