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7NFP
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BU of 7nfp by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K
分子名称: CC-Type2-(LaId)4-I17K, GLYCEROL
著者Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6OUD
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BU of 6oud by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B
分子名称: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.256 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B
To Be Published
6OUF
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Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-707A
分子名称: 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.358 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
5A0T
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BU of 5a0t by Molmil
Catalysis and 5' end sensing by ribonuclease RNase J of the metallo- beta-lactamase family
分子名称: 5'-R(*CP*GP*CP*CP*UP)-3', DI(HYDROXYETHYL)ETHER, RIBONUCLEASE J, ...
著者Pei, X.Y, Bralley, P, Jones, G.H, Luisi, B.F.
登録日2015-04-22
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.283 Å)
主引用文献Linkage of Catalysis and 5' End Recognition in Ribonuclease Rnase J
Nucleic Acids Res., 43, 2015
7NIJ
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BU of 7nij by Molmil
SARS-CoV-2 main protease (Mpro) in a novel conformational state.
分子名称: 3C-like proteinase nsp5
著者Battistutta, R, Fornasier, E, Giachin, G.
登録日2021-02-12
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A new inactive conformation of SARS-CoV-2 main protease.
Acta Crystallogr D Struct Biol, 78, 2022
6OUS
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BU of 6ous by Molmil
Structure of fusion glycoprotein from human respiratory syncytial virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, ...
著者Su, H.P.
登録日2019-05-05
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein.
Nat Commun, 10, 2019
6AMH
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BU of 6amh by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Ser bound as E(Aex1)
分子名称: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Buller, A.R.
登録日2017-08-09
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
7NLV
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BU of 7nlv by Molmil
WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II
分子名称: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin
著者Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
登録日2021-02-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
5ZQR
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BU of 5zqr by Molmil
Tankyrase-2 in complex with compound 40c
分子名称: 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2018-04-19
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
7NL1
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BU of 7nl1 by Molmil
Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii
分子名称: Cystathione gamma lyase, putative, PYRIDOXAL-5'-PHOSPHATE
著者Fernandez-Rodriguez, C, Conter, C, Recio, I, Astegno, A, Martinez-Cruz, L.A.
登録日2021-02-22
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.331 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
6OWY
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BU of 6owy by Molmil
Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element identification
分子名称: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ...
著者Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S.
登録日2019-05-12
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
8CB3
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BU of 8cb3 by Molmil
SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3
著者Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP)
登録日2023-01-25
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.572 Å)
主引用文献SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
To Be Published
7NFK
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BU of 7nfk by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S.
分子名称: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
5AJT
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BU of 5ajt by Molmil
Crystal structure of ligand-free phosphoribohydrolase lonely guy from Claviceps purpurea
分子名称: 1,2-ETHANEDIOL, D(-)-TARTARIC ACID, PHOSPHORIBOHYDROLASE LONELY GUY
著者Dzurova, L, Savino, S, Forneris, F.
登録日2015-02-27
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The three-dimensional structure of "Lonely Guy" from Claviceps purpurea provides insights into the phosphoribohydrolase function of Rossmann fold-containing lysine decarboxylase-like proteins.
Proteins, 83, 2015
5AKQ
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BU of 5akq by Molmil
X-ray structure and mutagenesis studies of the N-isopropylammelide isopropylaminohydrolase, AtzC
分子名称: CHLORIDE ION, N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE, ZINC ION
著者Balotra, S, Warden, A.C, Newman, J, Briggs, L.J, Scott, C, Peat, T.S.
登録日2015-03-05
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
5ALC
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BU of 5alc by Molmil
Ticagrelor antidote candidate Fab 72 in complex with ticagrelor
分子名称: ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ...
著者Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S.
登録日2015-03-07
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
8OJX
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BU of 8ojx by Molmil
Streptavidin S112YK121E artificial metalloenzyme for carboamination
分子名称: IRIDIUM ION, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
著者Igareta, N.V, Ward, T.R.
登録日2023-03-25
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Streptavidin WT artificial metalloenzyme for carboamination
To Be Published
6U43
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BU of 6u43 by Molmil
Crystal structure of Methanoperedens nitroreducens elongation factor 2 H595N bound to GMPPCP and magnesium (triclinic crystal form)
分子名称: CHLORIDE ION, Elongation factor 2, MAGNESIUM ION, ...
著者Fenwick, M.K, Ealick, S.E.
登録日2019-08-22
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of elongation factor 2 switching
Curr Res Struct Biol, 2, 2020
7NEM
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BU of 7nem by Molmil
Hydrogenase-2 variant R479K - anaerobically oxidised form
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Carr, S.B.
登録日2021-02-04
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A comprehensive structural and kinetic investigation of the role of the active-site argininein bidirectional hydrogen activation by the [NiFe]-hydrogenase "Hyd-2) from Escherichia coli
To Be Published
8OWP
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BU of 8owp by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(4-hydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8CON
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BU of 8con by Molmil
Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-P, ...
著者Fermani, S, Fanti, S, Carloni, G, Falini, G, Meloni, M, Zaffagnini, M.
登録日2023-02-28
公開日2024-02-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
7V56
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BU of 7v56 by Molmil
Structure of AdaV
分子名称: AdaV, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
6UCN
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BU of 6ucn by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K
分子名称: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-16
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
7NFG
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BU of 7nfg by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
5A2N
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BU of 5a2n by Molmil
Crystal structure of the nitrate transporter NRT1.1 from Arabidopsis thaliana.
分子名称: PROTEIN NRT1/ PTR FAMILY 6.3
著者Parker, J.L, Newstead, S.
登録日2015-05-20
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Molecular Basis of Nitrate Uptake by the Plant Nitrate Transporter Nrt1.1.
Nature, 507, 2014

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件を2024-08-21に公開中

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