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5NYJ
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BU of 5nyj by Molmil
Anbu from Hyphomicrobium sp. strain MC1 - SG: C2
Descriptor: Anbu
Authors:Vielberg, M.-T, Groll, M.
Deposit date:2017-05-11
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:On the Trails of the Proteasome Fold: Structural and Functional Analysis of the Ancestral beta-Subunit Protein Anbu.
J. Mol. Biol., 430, 2018
1LF4
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BU of 1lf4 by Molmil
STRUCTURE OF PLASMEPSIN II
Descriptor: Plasmepsin 2
Authors:Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M.
Deposit date:2002-04-10
Release date:2002-10-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
8OFB
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BU of 8ofb by Molmil
Crystal Structure of T. maritima reverse gyrase with a minimal latch, hexagonal form
Descriptor: CHLORIDE ION, HEXAETHYLENE GLYCOL, Reverse gyrase, ...
Authors:Klostermeier, D, Rasche, R, Mhaindarkar, V, Kummel, D, Rudolph, M.G.
Deposit date:2023-03-15
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain.
Acta Crystallogr D Struct Biol, 79, 2023
5YZI
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BU of 5yzi by Molmil
Crystal Structure of Mouse Cytosolic Isocitrate Dehydrogenase complexed with Cadmium
Descriptor: CADMIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cho, H.J, Kang, B.S.
Deposit date:2017-12-14
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.519 Å)
Cite:NADP+-dependent cytosolic isocitrate dehydrogenase provides NADPH in the presence of cadmium due to the moderate chelating effect of glutathione.
J. Biol. Inorg. Chem., 23, 2018
5UL0
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BU of 5ul0 by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161
Descriptor: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
Authors:Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C.
Deposit date:2017-01-23
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob.Agents Chemother., 63, 2019
5O1W
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BU of 5o1w by Molmil
Structure of Nrd1 RNA binding domain
Descriptor: 1,2-ETHANEDIOL, Protein NRD1
Authors:Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition.
Nucleic Acids Res., 45, 2017
5ULG
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BU of 5ulg by Molmil
Crystal structure of RPE65 in complex with MB-008 and palmitate
Descriptor: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2017-01-24
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5Z18
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BU of 5z18 by Molmil
The crystal structure of Ruminococcus gnavus beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Dissection of the substrate preference and structure of gut microbial beta-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z1B
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BU of 5z1b by Molmil
Structure of Bifidobacterium dentium beta-glucuronidase complexed with coumarin-3-O-glucuronide
Descriptor: 3-HYDROXY-2H-CHROMEN-2-ONE, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dissection of the substrate preference and structure of gut microbial-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5LU2
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BU of 5lu2 by Molmil
Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide
Descriptor: 14-3-3 protein sigma, Heat shock protein beta-6
Authors:Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V.
Deposit date:2016-09-07
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator.
Structure, 25, 2017
5UYS
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BU of 5uys by Molmil
Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog
Descriptor: (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2017-02-24
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
5V05
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BU of 5v05 by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (rIII)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2017-02-28
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UOG
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BU of 5uog by Molmil
Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in apo form
Descriptor: NADPH-dependent glyoxylate/hydroxypyruvate reductase, SULFATE ION
Authors:Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2017-01-31
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
5Z5F
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BU of 5z5f by Molmil
Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with L-arabinose
Descriptor: Beta-xylosidase, CALCIUM ION, beta-L-arabinofuranose
Authors:Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W.
Deposit date:2018-01-18
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
PLoS ONE, 13, 2018
5V0D
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BU of 5v0d by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (f2II)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*AP*CP*TP*CP*A)-3'), DNA (5'-D(P*GP*TP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2017-02-28
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8RUS
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BU of 8rus by Molmil
Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Perrett, S, van Thor, J.J.
Deposit date:2024-01-31
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE.
Struct Dyn., 11, 2024
5UQC
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BU of 5uqc by Molmil
Crystal structure of mouse CRMP2
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Dihydropyrimidinase-related protein 2
Authors:Khanna, M, Khanna, R, Perez-Miller, S, Francois-Moutal, L.
Deposit date:2017-02-07
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A single structurally conserved SUMOylation site in CRMP2 controls NaV1.7 function.
Channels (Austin), 11, 2017
5Z7O
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BU of 5z7o by Molmil
SmChiA sliding-intermediate with chitotetraose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, GLYCEROL
Authors:Nakamura, A, Iino, R.
Deposit date:2018-01-30
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
5LK3
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BU of 5lk3 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 500 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
7LES
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BU of 7les by Molmil
Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, IMIDAZOLE, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2021-01-15
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Homodimerization Counteracts the Detrimental Effect of Nitrogenous Heme Ligands on the Enzymatic Activity of Acanthamoeba castellanii CYP51.
Biochemistry, 61, 2022
5ZF4
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BU of 5zf4 by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
1CGE
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BU of 1cge by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT 19-KDA HUMAN FIBROBLAST COLLAGENASE COMPLEXED TO ITSELF
Descriptor: CALCIUM ION, FIBROBLAST COLLAGENASE, ZINC ION
Authors:Lovejoy, B, Hassell, A.M, Luther, M.A, Weigl, D, Jordan, S.R.
Deposit date:1994-02-03
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself.
Biochemistry, 33, 1994
8E8O
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BU of 8e8o by Molmil
Cryo-EM structure of human ME3 in the presence of citrate
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial
Authors:Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
Deposit date:2022-08-25
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
5ZFA
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BU of 5zfa by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr
Descriptor: (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5UTR
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BU of 5utr by Molmil
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-butyryl-4,5,6-trihydroxyazepane
Descriptor: Beta-hexosaminidase, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017

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