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PDB: 53012 results

5F9T
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BU of 5f9t by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative
Descriptor: (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, ...
Authors:Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
Deposit date:2015-12-10
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
6V4A
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BU of 6v4a by Molmil
An open conformation of a Pentameic ligand-gated ion channel with additional N-terminal domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Neur_chan_LBD domain-containing protein, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL
Authors:Delarue, M, Hu, H.D.
Deposit date:2019-11-27
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.83 Å)
Cite:Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
7KCU
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BU of 7kcu by Molmil
Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B
Descriptor: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.
Deposit date:2020-10-07
Release date:2021-10-13
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
7K4M
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BU of 7k4m by Molmil
Crystal structure of MetAP2 Modified Hemoglobin S
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Musayev, F.N, Safo, M.K, Light, D.R.
Deposit date:2020-09-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
3HX0
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BU of 3hx0 by Molmil
ternary complex of L277A, H511A, R514 mutant pol lambda bound to a 2 nucleotide gapped DNA substrate with a scrunched dA
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', 5'-D(*CP*GP*GP*CP*AP*AP*AP*TP*AP*CP*TP*G)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A.
Deposit date:2009-06-19
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Scrunching During DNA Repair Synthesis
To be Published
7JXA
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BU of 7jxa by Molmil
CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL 1,4,5-TRIPHOSPHATE
Descriptor: 2-ETHOXYETHANOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, S-arrestin, ...
Authors:Sander, C.L, Palczewski, K, Kiser, P.D.
Deposit date:2020-08-26
Release date:2021-10-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
5K3H
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BU of 5k3h by Molmil
Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-II
Descriptor: Acyl-coenzyme A oxidase
Authors:Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A.
Deposit date:2016-05-19
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans.
Proc.Natl.Acad.Sci.USA, 113, 2016
8CM1
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BU of 8cm1 by Molmil
Lol B - Localization of lipoprotein B from Vibrio cholera
Descriptor: Outer-membrane lipoprotein LolB
Authors:Jaiman, D, Persson, K.
Deposit date:2023-02-17
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023
5MBG
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BU of 5mbg by Molmil
Structure of a bacterial light-regulated adenylyl cyclase
Descriptor: Beta subunit of photoactivated adenylyl cyclase, IODIDE ION
Authors:Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
Deposit date:2016-11-08
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
8SV1
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BU of 8sv1 by Molmil
Caspase-1 complex with interleukin-18
Descriptor: Caspase-1, Interleukin-18
Authors:Dong, Y, Pascal, D, Jon, K, Wu, H.
Deposit date:2023-05-15
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Caspase-1 complex with interleukin-18
To Be Published
5C14
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BU of 5c14 by Molmil
Crystal structure of PECAM-1 D1D2 domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Zhou, D, Paddock, C, Newman, P, Zhu, J.
Deposit date:2015-06-12
Release date:2016-01-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for PECAM-1 homophilic binding.
Blood, 127, 2016
7NL3
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BU of 7nl3 by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7)
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F
To Be Published
7RYT
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BU of 7ryt by Molmil
Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, Homoserine O-acetyltransferase, ...
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2021-08-26
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
5MF7
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BU of 5mf7 by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-GADD45)
Descriptor: Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, DNA, ...
Authors:Rozenberg, H, Diskin-Posner, Y, Golovenko, D, Shakked, Z.
Deposit date:2016-11-17
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
6S1C
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BU of 6s1c by Molmil
P3221 crystal form of the Ctf18-1-8/Pol2(1-528) complex
Descriptor: Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, DNA polymerase epsilon catalytic subunit A, ...
Authors:Grabarczyk, D.B.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (6.1 Å)
Cite:Ctf18-RFC and DNA Pol ε form a stable leading strand polymerase/clamp loader complex required for normal and perturbed DNA replication.
Nucleic Acids Res., 48, 2020
5MUS
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BU of 5mus by Molmil
Structure of the C-terminal domain of a reptarenavirus L protein
Descriptor: CHLORIDE ION, GLYCEROL, L protein
Authors:Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S.
Deposit date:2017-01-14
Release date:2017-05-17
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
6HF4
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BU of 6hf4 by Molmil
The structure of BoMan26B, a GH26 beta-mannanase from Bacteroides ovatus, complexed with G1M4
Descriptor: CALCIUM ION, CHLORIDE ION, Glycosyl hydrolase family 26, ...
Authors:Bagenholm, V, Logan, D.T, Stalbrand, H.
Deposit date:2018-08-21
Release date:2019-04-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:A surface-exposed GH26 beta-mannanase fromBacteroides ovatus: Structure, role, and phylogenetic analysis ofBoMan26B.
J.Biol.Chem., 294, 2019
5TW2
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BU of 5tw2 by Molmil
Structure of mouse CD1d with bound alpha-galactosylsphingamide JG168
Descriptor: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Wang, J.
Deposit date:2016-11-11
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Galactosylsphingamides: new alpha-GalCer analogues to probe the F'-pocket of CD1d.
Sci Rep, 7, 2017
7PJC
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BU of 7pjc by Molmil
The structure of Candida albicans phosphoglucomutase with isothiazolone modification on Cys359
Descriptor: GLYCEROL, Phosphoglucomutase, SULFATE ION, ...
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
5C5G
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BU of 5c5g by Molmil
Crystal Structure of Aspergillus clavatus Sph3
Descriptor: 1,2-ETHANEDIOL, spherulin-4
Authors:Bamford, N.C, Little, D.J, Howell, P.L.
Deposit date:2015-06-19
Release date:2015-09-16
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.248 Å)
Cite:Sph3 Is a Glycoside Hydrolase Required for the Biosynthesis of Galactosaminogalactan in Aspergillus fumigatus.
J.Biol.Chem., 290, 2015
6EX1
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BU of 6ex1 by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 4-[(3S)-3 benzyl-4-(4-sulfamoylbenzoyl)piperazine -1-carbonyl]benzene-1-sulfonamide inhibitor
Descriptor: 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Ferraroni, M, Supuran, C.T, Chiapponi, D, Chiaramonte, N.
Deposit date:2017-11-07
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents.
Eur J Med Chem, 151, 2018
6EYB
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BU of 6eyb by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol, Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5JR1
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BU of 5jr1 by Molmil
Crystal structure of 10E8 gHV-matureL antigen-binding fragment.
Descriptor: 10E8 heavy chain, 10E8 mature light chain, ZINC ION
Authors:Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-05
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8.
Plos One, 11, 2016
6V37
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BU of 6v37 by Molmil
K2P2.1(TREK-1)I110D:RuR:ML335 bound channel structure
Descriptor: CADMIUM ION, DODECANE, HEXANE, ...
Authors:Pope, L, Lolicato, M, Minor, D.L.
Deposit date:2019-11-25
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
7Q6D
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BU of 7q6d by Molmil
E. coli FtsA 1-405 ATP 3 Ni
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division protein FtsA, MAGNESIUM ION, ...
Authors:Nierhaus, T, Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2021-11-06
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN.
Nat Microbiol, 7, 2022

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数据于2024-07-31公开中

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