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6CVL
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BU of 6cvl by Molmil
Crystal structure of the Escherichia coli ATPgS-bound MetNI methionine ABC transporter in complex with its MetQ binding protein
Descriptor: IODIDE ION, MERCURY (II) ION, MetI transmembrane subunit, ...
Authors:Nguyen, P.T, Kaiser, J.T, Rees, D.C.
Deposit date:2018-03-28
Release date:2018-11-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Noncanonical role for the binding protein in substrate uptake by the MetNI methionine ATP Binding Cassette (ABC) transporter.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7MRK
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BU of 7mrk by Molmil
Chicken CNTN4 APP complex
Descriptor: Amyloid-beta A4 protein, Contactin-4, DI(HYDROXYETHYL)ETHER
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7B58
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BU of 7b58 by Molmil
X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)Cl determined at 1.72 Angstroms
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2020-12-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes.
J.Inorg.Biochem., 218, 2021
7RMX
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BU of 7rmx by Molmil
Structure of De Novo designed tunable symmetric protein pockets
Descriptor: Tunable symmetric protein, D_3_212
Authors:Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MRN
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BU of 7mrn by Molmil
Mouse CNTN5 APP complex
Descriptor: Contactin-5, N-APP
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7AMH
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BU of 7amh by Molmil
SmBRD3(2), Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with DM-A-33, an iBET726 analogue
Descriptor: 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid, Putative bromodomain-containing protein 3, ...
Authors:McArdle, D, Schiedel, M, McDonough, M.A, Conway, S.J.
Deposit date:2020-10-08
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.863 Å)
Cite:SBM3_2, Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with DM1, an iBET726 analogue
To Be Published
8AIW
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BU of 8aiw by Molmil
Structure of the K5/CagI complex
Descriptor: Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K5
Authors:Blanc, M, Guerin, J, Terradot, L.
Deposit date:2022-07-27
Release date:2023-05-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
8TQ0
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BU of 8tq0 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
Descriptor: DIHYDROLIPOIC ACID, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-08-06
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism.
J.Biol.Chem., 299, 2023
8AI9
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BU of 8ai9 by Molmil
S10T variant of glutathione transferase Chi 1 from Synechocystis sp. PCC 6803 in complex with glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase family protein
Authors:Didierjean, C.
Deposit date:2022-07-25
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and Structural Characterization of Chi-Class Glutathione Transferases: A Snapshot on the Glutathione Transferase Encoded by sll0067 Gene in the Cyanobacterium Synechocystis sp. Strain PCC 6803.
Biomolecules, 12, 2022
8TSU
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BU of 8tsu by Molmil
Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-11
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
7B59
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BU of 7b59 by Molmil
X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)Br determined at 1.63 Angstroms
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2020-12-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes.
J.Inorg.Biochem., 218, 2021
7RNQ
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BU of 7rnq by Molmil
Holo structure of engineered TrpB, 2B9-H275E, from Pyrococcus furiosus in the extended-open conformation
Descriptor: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
Authors:Higgins, P.M, Buller, A.R.
Deposit date:2021-07-29
Release date:2022-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Substrate multiplexed protein engineering facilitates promiscuous biocatalytic synthesis.
Nat Commun, 13, 2022
6CB2
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BU of 6cb2 by Molmil
Crystal structure of Escherichia coli UppP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, SULFATE ION, Undecaprenyl-diphosphatase
Authors:Workman, S.D, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2018-02-01
Release date:2018-03-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an intramembranal phosphatase central to bacterial cell-wall peptidoglycan biosynthesis and lipid recycling.
Nat Commun, 9, 2018
7ROF
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BU of 7rof by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9-H275E with L-Trp non-covalently bound
Descriptor: SODIUM ION, TRYPTOPHAN, Tryptophan synthase beta chain 1
Authors:Higgins, P.M, Buller, A.R.
Deposit date:2021-07-30
Release date:2022-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate multiplexed protein engineering facilitates promiscuous biocatalytic synthesis.
Nat Commun, 13, 2022
8TSX
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BU of 8tsx by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
7AQX
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BU of 7aqx by Molmil
Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB9)
Descriptor: CITRIC ACID, Nanobody VSG2(NB9), SODIUM ION, ...
Authors:Stebbins, C.E, Hempelmann, A.
Deposit date:2020-10-23
Release date:2021-11-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome.
Cell Rep, 37, 2021
7RK7
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BU of 7rk7 by Molmil
The complex between TIL 1383i TCR and human Class I MHC HLA-A2 with the bound Tyrosinase(369-377)(N371D) nonameric peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Singh, N.K, Davancaze, L.M, Arbuiso, A, Weiss, L.I, Keller, G.L.J, Baker, B.M.
Deposit date:2021-07-22
Release date:2022-11-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:The complex between TIL 1383i TCR and human Class I MHC HLA-A2 with the bound Tyrosinase(369-377)(N371D) nonameric peptide
To Be Published
8B05
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BU of 8b05 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec
Descriptor: CESIUM ION, CHLORIDE ION, INDOLE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
7AYX
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BU of 7ayx by Molmil
Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998
Descriptor: Cytochrome P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Schneider, S, Schaefers, F, Gulder, T.A.M.
Deposit date:2020-11-13
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Carrier Protein-Free Enzymatic Biaryl Coupling in Arylomycin A2 Assembly and Structure of the Cytochrome P450 AryC.
Chemistry, 28, 2022
7QXK
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BU of 7qxk by Molmil
As isolated MSOX movie series dataset 1 (0.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain)
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
Deposit date:2022-01-26
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QY5
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BU of 7qy5 by Molmil
Crystal structure of the S.pombe Ars2-Red1 complex.
Descriptor: NURS complex subunit pir2, RNA elimination defective protein Red1, ZINC ION
Authors:Foucher, A.E, Kadlec, J.
Deposit date:2022-01-27
Release date:2022-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural analysis of Red1 as a conserved scaffold of the RNA-targeting MTREC/PAXT complex.
Nat Commun, 13, 2022
6CED
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BU of 6ced by Molmil
Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
8TT1
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BU of 8tt1 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.0
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
7R0X
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BU of 7r0x by Molmil
Structure of the branching thioesterase from oocydin biosynthesis
Descriptor: Polyketide synthase
Authors:Fraley, A.E, Piel, J.
Deposit date:2022-02-02
Release date:2022-08-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure of a Promiscuous Thioesterase Domain Responsible for Branching Acylation in Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7R3V
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BU of 7r3v by Molmil
Crystal structure of bovine Cytochrome bc1 in complex with inhibitor CK-2-67.
Descriptor: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
Authors:Pinthong, N, Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.
Deposit date:2022-02-07
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Targeting the Ubiquinol-Reduction (Q i ) Site of the Mitochondrial Cytochrome bc 1 Complex for the Development of Next Generation Quinolone Antimalarials.
Biology (Basel), 11, 2022

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数据于2024-11-06公开中

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