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6HBA
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Crystal Structure of the small subunit-like domain 1 of CcmM from Synechococcus elongatus (strain PCC 7942), thiol-oxidized form
分子名称: Carbon dioxide concentrating mechanism protein CcmM
著者Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M.
登録日2018-08-10
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Rubisco condensate formation by CcmM in beta-carboxysome biogenesis.
Nature, 566, 2019
6T1G
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Streptavidin variants harbouring an artificial organocatalyst based cofactor
分子名称: 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin
著者Lechner, H, Hocker, B.
登録日2019-10-04
公開日2020-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
4Z65
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Carboxypeptidase B with Sulphamoil Arginine
分子名称: Carboxypeptidase B, N~2~-sulfamoyl-L-arginine, ZINC ION
著者Timofeev, V.I, Akparov, V.K, Kuranova, I.P.
登録日2015-04-03
公開日2015-10-14
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the complex of carboxypeptidase B and N-sulfamoyl-L-arginine.
Acta Crystallogr.,Sect.F, 71, 2015
6HFA
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BU of 6hfa by Molmil
Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer.
分子名称: E3 ubiquitin-protein ligase Mdm2, LM266, 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea
著者Buratto, J, Mauran, L, Goudreau, S, Fribourg, S, Guichard, G.
登録日2018-08-21
公開日2020-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 2020
5HLO
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BU of 5hlo by Molmil
Crystal structure of calcium and zinc-bound human S100A8 in space group C2221
分子名称: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
著者Lin, H, Andersen, G.R, Yatime, L.
登録日2016-01-15
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human S100A8 in complex with zinc and calcium.
Bmc Struct.Biol., 16, 2016
5NJM
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BU of 5njm by Molmil
Lysozyme room-temperature structure determined by serial millisecond crystallography
分子名称: Lysozyme C
著者Weinert, T, Vera, L, Marsh, M, James, D, Gashi, D, Nogly, P, Jaeger, K, Standfuss, J.
登録日2017-03-29
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NJI
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Structure of the dehydratase domain of PpsC from Mycobacterium tuberculosis in complex with C12:1-CoA
分子名称: Phthiocerol/phenolphthiocerol synthesis polyketide synthase type I PpsC, ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate
著者Gavalda, S, Faille, A, Mourey, L, Pedelacq, J.D.
登録日2017-03-28
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
6HIL
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BU of 6hil by Molmil
X-ray structure of TEAD1(Y421H mutant) complexed with YAP(wildtype): Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy
分子名称: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-1
著者Kallen, J.
登録日2018-08-30
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy.
Febs J., 286, 2019
5NLA
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BU of 5nla by Molmil
Crystal structure of the AraC-like transcriptional activator CuxR
分子名称: Putative transcriptional regulator TRANSCRIPTION REGULATOR protein
著者Steinchen, W.M, Altegoer, F, Bange, G.
登録日2017-04-04
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献AraC-like transcriptional activator CuxR binds c-di-GMP by a PilZ-like mechanism to regulate extracellular polysaccharide production.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4ZE8
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BU of 4ze8 by Molmil
PBP AccA from A. tumefaciens C58
分子名称: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
著者El Sahili, A, Morera, S.
登録日2015-04-20
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
6HJ4
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BU of 6hj4 by Molmil
Crystal structure of Whitewater Arroyo virus GP1 glycoprotein at pH 7.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Pre-glycoprotein polyprotein GP complex
著者Pryce, R, Ng, W.M, Zeltina, A, Watanabe, Y, El Omari, K, Wagner, A, Bowden, T.A.
登録日2018-08-31
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure-Based Classification Defines the Discrete Conformational Classes Adopted by the Arenaviral GP1.
J. Virol., 93, 2019
6TOJ
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BU of 6toj by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 17a
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOQ
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BU of 6toq by Molmil
Crystal structure of a PP2A B56y/HTLV-1 integrase complex
分子名称: Pol protein, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform
著者Minnell, J.J, Barski, M.S, Maertens, G.N.
登録日2019-12-11
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.164 Å)
主引用文献Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
5NM1
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BU of 5nm1 by Molmil
Chicken GRIFIN (crystallisation pH: 6.2)
分子名称: Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Ruiz, F.M, Romero, A.
登録日2017-04-05
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
4ZEI
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BU of 4zei by Molmil
PBP AccA from A. tumefaciens C58 in complex with L-arabinose-2-phosphate
分子名称: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, ABC transporter, ...
著者El Sahili, A, Morera, S.
登録日2015-04-20
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
6TQL
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BU of 6tql by Molmil
Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
登録日2019-12-16
公開日2020-11-04
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
5NMU
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BU of 5nmu by Molmil
Structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria
分子名称: CBS-CP12, CHLORIDE ION
著者Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
登録日2017-04-07
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6HP2
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BU of 6hp2 by Molmil
Crystal Structure of the O-Methyltransferase from the trans-AT PKS multienzyme C0ZGQ3 of Brevibacillus brevis in complex with S-Adenosyl-L-homocysteine
分子名称: Putative polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE
著者Jakob, R.P, Felber, P, Demyanenko, Y, Delbart, F, Maier, T.
登録日2018-09-19
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Analysis of an O-Methyltransferase from the trans-AT PKS biosynthesis pathway
To Be Published
6T37
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BU of 6t37 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-10-10
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
5HCM
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BU of 5hcm by Molmil
The GLIC pentameric Ligand-Gated Ion Channel 2-21' cross-linked mutant complexed to bromoform
分子名称: DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, TRIBROMOMETHANE
著者Shahsavar, A, Sauguet, L, Delarue, M.
登録日2016-01-04
公開日2016-04-13
最終更新日2016-04-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel.
Structure, 24, 2016
6TF8
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BU of 6tf8 by Molmil
Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one
分子名称: RA95.5-8F_133F
著者Mori, T, Macdonald, D.S.
登録日2019-11-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Engineered Artificial Carboligases Facilitate Regioselective Preparation of Enantioenriched Aldol Adducts.
J.Am.Chem.Soc., 142, 2020
5NEI
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BU of 5nei by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107
分子名称: 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1
著者Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M.
登録日2017-03-10
公開日2018-02-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
5HDZ
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BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylthio)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
7B3W
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BU of 7b3w by Molmil
Crystal structure of c-MET bound by compound 4
分子名称: 1,2-ETHANEDIOL, 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2020-12-01
公開日2020-12-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
6HX1
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IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2
分子名称: 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Augustin, M.A, Krapp, S, Bayliss, R, Collins, I.
登録日2018-10-15
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019

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