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5N6U
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BU of 5n6u by Molmil
Crystal structure of Beta-D-Mannosidase from Dictyoglomus thermophilum.
Descriptor: Beta-mannosidase, beta-D-mannopyranose
Authors:Richet, N, Lafite, P.
Deposit date:2017-02-16
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Is the acid/base catalytic residue mutation in beta-d-mannosidase DtMan from Dictyoglomus thermophilum sufficient enough to provide thioglycoligase activity?
Biochimie, 137, 2017
5H2K
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BU of 5h2k by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 2 us after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-10-15
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
7BWL
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BU of 7bwl by Molmil
Structure of antibiotic sequester from Pseudomonas aerurinosa
Descriptor: UPF0312 protein PA0423, Ubiquinone-8
Authors:Hong, M.
Deposit date:2020-04-14
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the Pseudomonas aeruginosa PA0423 protein and its functional implication in antibiotic sequestration.
Biochem.Biophys.Res.Commun., 528, 2020
5NA0
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BU of 5na0 by Molmil
TTK kinase domain in complex with a PEG-linked pyrimido-indolizine
Descriptor: Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Authors:Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
Deposit date:2017-02-27
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5H3S
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BU of 5h3s by Molmil
apo form of GEMIN5-WD
Descriptor: GLYCEROL, Gem-associated protein 5
Authors:Bharath, S.R, Tang, X, Song, H.
Deposit date:2016-10-27
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for specific recognition of pre-snRNA by Gemin5
Cell Res., 26, 2016
6HQ2
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BU of 6hq2 by Molmil
Structure of EAL Enzyme Bd1971 - apo form
Descriptor: EAL Enzyme Bd1971
Authors:Lovering, A.L, Cadby, I.T.
Deposit date:2018-09-24
Release date:2019-07-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
5GT7
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BU of 5gt7 by Molmil
Crystal Structure of Arg-bound CASTOR1
Descriptor: ARGININE, GATS-like protein 3, MALONATE ION
Authors:Guo, L, Deng, D.
Deposit date:2016-08-18
Release date:2017-08-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Crystal structures of arginine sensor CASTOR1 in arginine-bound and ligand free states
Biochem. Biophys. Res. Commun., 508, 2019
4YUB
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BU of 4yub by Molmil
Crystal structure of human Nicotinic Acid Phosphoribosyltransferase
Descriptor: Nicotinate phosphoribosyltransferase
Authors:Garavaglia, S, Rizzi, M, Marletta, A.S.
Deposit date:2015-03-18
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human nicotinic acid phosphoribosyltransferase.
Febs Open Bio, 5, 2015
4YV4
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BU of 4yv4 by Molmil
Structure of the C. elegans SAS-5 coiled coil domain
Descriptor: PHOSPHATE ION, SULFATE ION, Spindle assembly abnormal protein 5
Authors:Rogala, K.B, Hatzopoulos, G.N, Vakonakis, I.
Deposit date:2015-03-19
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Caenorhabditis elegans protein SAS-5 forms large oligomeric assemblies critical for centriole formation.
Elife, 4, 2015
7BVZ
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BU of 7bvz by Molmil
Crystal structure of MreB5 of Spiroplasma citri bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell shape determining protein MreB, MAGNESIUM ION, ...
Authors:Pande, V, Bagde, S.R, Gayathri, P.
Deposit date:2020-04-12
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma.
Curr.Biol., 30, 2020
6HVN
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BU of 6hvn by Molmil
CdaA-APO Y187A Mutant
Descriptor: CHLORIDE ION, Diadenylate cyclase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Heidemann, J.L, Neumann, P, Ficner, R.
Deposit date:2018-10-11
Release date:2019-06-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.234 Å)
Cite:Crystal structures of the c-di-AMP-synthesizing enzyme CdaA.
J.Biol.Chem., 294, 2019
4YWR
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BU of 4ywr by Molmil
Structure of a putative phosphomethylpyrimidine kinase from Acinetobacter baumannii in non-covalent complex with pyridoxal phosphate
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative hydroxymethylpyrimidine kinase/phosphomethylpyrimidine kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-03-20
Release date:2016-03-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Characterization of an Acinetobacter baumannii Monofunctional Phosphomethylpyrimidine Kinase That Is Inhibited by Pyridoxal Phosphate.
Biochemistry, 2024
4YMW
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BU of 4ymw by Molmil
Crystal structure of an amino acid ABC transporter with histidines
Descriptor: ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ...
Authors:Ge, J, Yu, J, Yang, M.
Deposit date:2015-03-07
Release date:2015-04-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Structural basis for substrate specificity of an amino acid ABC transporter
Proc.Natl.Acad.Sci.USA, 112, 2015
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
Authors:Cheng, L, Shao, Z.
Deposit date:2020-03-26
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
6I01
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BU of 6i01 by Molmil
Structure of human D-glucuronyl C5 epimerase in complex with substrate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y.
Deposit date:2018-10-24
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6TBB
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BU of 6tbb by Molmil
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin)
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH], Kalimantacin, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Fage, C.D, Masschelein, J.
Deposit date:2019-11-01
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
5H13
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BU of 5h13 by Molmil
EED in complex with PRC2 allosteric inhibitor EED396
Descriptor: 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
4YD9
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BU of 4yd9 by Molmil
Crystal structure of squid hemocyanin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CU2-O2 CLUSTER, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Matsuno, A, Gai, Z, Kato, K, Tanaka, Y, Yao, M.
Deposit date:2015-02-21
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the 3.8-MDa Respiratory Supermolecule Hemocyanin at 3.0 angstrom Resolution
Structure, 23, 2015
7BY6
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BU of 7by6 by Molmil
Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389
Descriptor: (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ...
Authors:Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S.
Deposit date:2020-04-21
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
5NJE
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BU of 5nje by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene.
Descriptor: Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1
Authors:Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M.
Deposit date:2017-03-28
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
7BYY
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BU of 7byy by Molmil
Crystal structure of bacterial toxin
Descriptor: Acetyltransferase
Authors:Zhang, C, Yashiro, Y, Tomita, K.
Deposit date:2020-04-25
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Substrate specificities of Escherichia coli ItaT that acetylates aminoacyl-tRNAs.
Nucleic Acids Res., 48, 2020
6TE6
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BU of 6te6 by Molmil
Crystal structure of Dot1L in complex with an inhibitor (compound 3).
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine
Authors:Scheufler, C, Stauffer, F, Be, C, Moebitz, H.
Deposit date:2019-11-11
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
5H2I
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BU of 5h2i by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 110 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-10-15
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H4B
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BU of 5h4b by Molmil
Crystal structure of Cbln4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4
Authors:Zhong, C, Shen, J, Zhang, H, Ding, J.
Deposit date:2016-10-31
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5N47
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BU of 5n47 by Molmil
Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human oncofetal fibronectin
Descriptor: Fibronectin, Neutrophil gelatinase-associated lipocalin
Authors:Schiefner, A, Skerra, A.
Deposit date:2017-02-10
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen.
Structure, 26, 2018

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