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6OUD
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BU of 6oud by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B
Descriptor: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.256 Å)
Cite:Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B
To Be Published
7VIV
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BU of 7viv by Molmil
Crystal structure of the I73R from African Swine Fever Virus
Descriptor: I73R
Authors:Sun, L.F, Wu, Y.K.
Deposit date:2021-09-28
Release date:2022-09-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into African Swine Fever Virus I73R protein reveals it is a Z-DNA binding protein
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
Descriptor: 5'-R(*CP*GP*CP*CP*UP)-3', DI(HYDROXYETHYL)ETHER, RIBONUCLEASE J, ...
Authors:Pei, X.Y, Bralley, P, Jones, G.H, Luisi, B.F.
Deposit date:2015-04-22
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.283 Å)
Cite:Linkage of Catalysis and 5' End Recognition in Ribonuclease Rnase J
Nucleic Acids Res., 43, 2015
6OUF
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BU of 6ouf by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-707A
Descriptor: 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.358 Å)
Cite:Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
7NIJ
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BU of 7nij by Molmil
SARS-CoV-2 main protease (Mpro) in a novel conformational state.
Descriptor: 3C-like proteinase nsp5
Authors:Battistutta, R, Fornasier, E, Giachin, G.
Deposit date:2021-02-12
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, ...
Authors:Su, H.P.
Deposit date:2019-05-05
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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)
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Buller, A.R.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin
Authors:Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
7NL1
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BU of 7nl1 by Molmil
Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii
Descriptor: Cystathione gamma lyase, putative, PYRIDOXAL-5'-PHOSPHATE
Authors:Fernandez-Rodriguez, C, Conter, C, Recio, I, Astegno, A, Martinez-Cruz, L.A.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.331 Å)
Cite: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
Descriptor: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ...
Authors:Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S.
Deposit date:2019-05-12
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
5ZQR
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BU of 5zqr by Molmil
Tankyrase-2 in complex with compound 40c
Descriptor: 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, ...
Authors:Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2018-04-19
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
8CB3
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BU of 8cb3 by Molmil
SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3
Authors:Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP)
Deposit date:2023-01-25
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.572 Å)
Cite:SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
To Be Published
5AJT
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BU of 5ajt by Molmil
Crystal structure of ligand-free phosphoribohydrolase lonely guy from Claviceps purpurea
Descriptor: 1,2-ETHANEDIOL, D(-)-TARTARIC ACID, PHOSPHORIBOHYDROLASE LONELY GUY
Authors:Dzurova, L, Savino, S, Forneris, F.
Deposit date:2015-02-27
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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
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.
Descriptor: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
5AKQ
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BU of 5akq by Molmil
X-ray structure and mutagenesis studies of the N-isopropylammelide isopropylaminohydrolase, AtzC
Descriptor: CHLORIDE ION, N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE, ZINC ION
Authors:Balotra, S, Warden, A.C, Newman, J, Briggs, L.J, Scott, C, Peat, T.S.
Deposit date:2015-03-05
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
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)
Descriptor: CHLORIDE ION, Elongation factor 2, MAGNESIUM ION, ...
Authors:Fenwick, M.K, Ealick, S.E.
Deposit date:2019-08-22
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of elongation factor 2 switching
Curr Res Struct Biol, 2, 2020
5ALC
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BU of 5alc by Molmil
Ticagrelor antidote candidate Fab 72 in complex with ticagrelor
Descriptor: ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ...
Authors: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.
Deposit date:2015-03-07
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 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+)
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2023-03-25
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Streptavidin WT artificial metalloenzyme for carboamination
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
Descriptor: 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
7NEM
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BU of 7nem by Molmil
Hydrogenase-2 variant R479K - anaerobically oxidised form
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Carr, S.B.
Deposit date:2021-02-04
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
8CON
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BU of 8con by Molmil
Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-P, ...
Authors:Fermani, S, Fanti, S, Carloni, G, Falini, G, Meloni, M, Zaffagnini, M.
Deposit date:2023-02-28
Release date:2024-02-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: AdaV, FE (III) ION
Authors:Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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
Descriptor: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-16
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.32 Å)
Cite: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.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6ORM
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BU of 6orm by Molmil
Crystal Structure of Peruvianin-I (Cysteine peptidase from Thevetia peruviana latex)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peruvianin-I, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cruz, W.T, Bezerra, E.H.S, da Silva, F.M.S, Freire, V.N, Ramos, M.V, Rocha, B.A.M, Freitas, C.D.T.
Deposit date:2019-04-30
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure and specific location of a germin-like protein with proteolytic activity from Thevetia peruviana.
Plant Sci., 298, 2020

224004

数据于2024-08-21公开中

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