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7QQJ
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BU of 7qqj by Molmil
Sucrose phosphorylase from Jeotgalibaca ciconiae
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sucrose phosphorylase
Authors:Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H.
Deposit date:2022-01-08
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Sucrose phosphorylase from Jeotgalibaca ciconiae
To Be Published
7QNV
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BU of 7qnv by Molmil
human carbonic anhydrase II bound to 3-methylbenzoselenoate
Descriptor: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-12-22
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
6QED
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BU of 6qed by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide
Descriptor: (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Musil, D, Heinrich, T, Lehmann, M.
Deposit date:2019-01-07
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
6QD9
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BU of 6qd9 by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000065
Descriptor: 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
7QR2
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BU of 7qr2 by Molmil
Crystal structure of chicken Ovalbumin-related protein X
Descriptor: 1,2-ETHANEDIOL, Ovalbumin-related protein X, SULFATE ION
Authors:Coste, F, Rehault-Godbert, S.
Deposit date:2022-01-10
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of chicken Ovalbumin-related protein X
To Be Published
6QDH
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BU of 6qdh by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906
Descriptor: 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
7QOB
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BU of 7qob by Molmil
Human Carbonic Anhydrase I in complex with benzoselenoate
Descriptor: Carbonic anhydrase 1, ZINC ION, benzoselenoate
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-12-23
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
7QRH
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BU of 7qrh by Molmil
Crystal structure of the 5-(aminomethyl)furan-3-yl methyl phosphate kinase MfnE from Methanococcus vannielii.
Descriptor: Aspartate/glutamate/uridylate kinase, SULFATE ION
Authors:Maddock, R.M.A, Race, P.R, Burton, N.M.
Deposit date:2022-01-11
Release date:2023-01-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structure of the 5-(aminomethyl)furan-3-yl methyl phosphate kinase MfnE from Methanococcus vannielii.
To Be Published
6QGC
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BU of 6qgc by Molmil
PETase from Ideonella sakaiensis without ligand
Descriptor: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
Deposit date:2019-01-10
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
7QTH
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BU of 7qth by Molmil
Crystal structure of the Shewanella oneidensis MR1 MtrC mutant C453A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Edwards, M.J, Clarke, T.A.
Deposit date:2022-01-14
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Cysteine Pair Controls Flavin Reduction by Extracellular Cytochromes during Anoxic/Oxic Environmental Transitions.
Mbio, 14, 2023
6QGL
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BU of 6qgl by Molmil
Crystal structure of VP5 from Haloarchaeal pleomorphic virus 6
Descriptor: BROMIDE ION, VP5
Authors:El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E.
Deposit date:2019-01-11
Release date:2019-02-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
6QGO
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BU of 6qgo by Molmil
Crystal structure of APT1 S119A mutant bound to palmitic acid.
Descriptor: Acyl-protein thioesterase 1, PALMITIC ACID
Authors:Audagnotto, M, Marcaida, M.J, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
6QGP
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BU of 6qgp by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
Descriptor: 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
To be published
6QH2
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BU of 6qh2 by Molmil
Solution NMR ensemble for a chimeric KH-S1 domain construct of exosomal polynucleotide phosphrylase at 298K compiled using the CoMAND method
Descriptor: Polyribonucleotide nucleotidyltransferase
Authors:ElGamacy, M, Truffault, V, Zhu, H, Coles, M.
Deposit date:2019-01-14
Release date:2019-04-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
7QON
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BU of 7qon by Molmil
Monoclinic triose phosphate isomerase from Fasciola hepatica.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Kontellas, G, Isupov, M.N, Littlechild, J.A.
Deposit date:2021-12-24
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Monoclinic triose phosphate isomerase from Fasciola hepatica.
To Be Published
6QJH
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BU of 6qjh by Molmil
Cryo-EM structure of heparin-induced 2N4R tau snake filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
6QJM
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BU of 6qjm by Molmil
Cryo-EM structure of heparin-induced 2N4R tau twister filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
6QJQ
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BU of 6qjq by Molmil
Cryo-EM structure of heparin-induced 2N3R tau filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
7QQ2
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BU of 7qq2 by Molmil
CRYSTAL STRUCTURE OF AS-ISOLATED S321M MUTANT OF THREE-DOMAIN HEME-CU NITRITE REDUCTASE FROM RALSTONIA PICKETTII
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C
Authors:Petchyam, N, Antonyuk, S, Hasnain, S.S.
Deposit date:2022-01-06
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of haem three-domain copper nitrite reductase mutants from Ralstonia pickettii
To Be Published
7QPK
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BU of 7qpk by Molmil
Structure of the A-region of Awp14 from Candida glabrata
Descriptor: A-region of Awp14
Authors:Essen, L.-O, Reithofer, V, de Groot, P.
Deposit date:2022-01-05
Release date:2023-01-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the cluster III adhesin Awp14 from a clinical isolate of Candida glabrata
to be published
7QRK
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BU of 7qrk by Molmil
Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-01-11
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
To Be Published
6QKR
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BU of 6qkr by Molmil
2-Naphthoyl-CoA Reductase-2-Naphthoyl-CoA complex(NCR-NCoA-soaked complex)
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Kayastha, K, Ermler, U.
Deposit date:2019-01-30
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Low potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors.
Nat Commun, 10, 2019
6QLG
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BU of 6qlg by Molmil
Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ...
Authors:Marshall, S.A, Payne, K.A.P, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QHC
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BU of 6qhc by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK358180B
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Kallikrein-6, ...
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
7QSJ
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BU of 7qsj by Molmil
Methylmannose polysaccharide hydrolase MmpH from M. hassiacum
Descriptor: GLYCEROL, MAGNESIUM ION, Methylmannose polysaccharide hydrolase (MmpH), ...
Authors:Ripoll-Rozada, J, Manso, J.A, Pereira, P.J.B.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides.
Commun Biol, 6, 2023

222415

數據於2024-07-10公開中

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