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PDB: 53326 results

8IHQ
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BU of 8ihq by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3
Descriptor: Amidohydrolase family protein, ZINC ION
Authors:Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2023-02-23
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
8T0J
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BU of 8t0j by Molmil
Salmonella Typhimurium ArnD
Descriptor: Probable 4-deoxy-4-formamido-L-arabinose-phosphoundecaprenol deformylase ArnD
Authors:Sousa, M.C, Munoz-Escudero, D, Lee, M.
Deposit date:2023-06-01
Release date:2023-10-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure and Function of ArnD. A Deformylase Essential for Lipid A Modification with 4-Amino-4-deoxy-l-arabinose and Polymyxin Resistance.
Biochemistry, 62, 2023
2Y74
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BU of 2y74 by Molmil
THE CRYSTAL STRUCTURE OF HUMAN SOLUBLE PRIMARY AMINE OXIDASE AOC3 IN THE OFF-COPPER CONFORMATION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A.
Deposit date:2011-01-28
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3.
Biochemistry, 50, 2011
6D8P
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BU of 6d8p by Molmil
Ternary RsAgo Complex Containing Guide RNA Paired with Target DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-26
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
6TOA
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BU of 6toa by Molmil
Neck of empty GTA particle computed with C6 symmetry
Descriptor: Adaptor protein Rcc01688, Portal protein Rcc01684, Stopper protein Rcc01689, ...
Authors:Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
Deposit date:2019-12-11
Release date:2020-07-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6D9L
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BU of 6d9l by Molmil
Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair
Descriptor: DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-30
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
6ZKJ
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BU of 6zkj by Molmil
Complex I with NADH, open3
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Kampjut, D, Sazanov, L.A.
Deposit date:2020-06-30
Release date:2020-10-07
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
5ETH
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BU of 5eth by Molmil
RORy in complex with inverse agonist 3.
Descriptor: 1-methyl-~{N}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)-~{N}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.M.
Deposit date:2015-11-17
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Discovery of biaryls as ROR gamma inverse agonists by using structure-based design.
Bioorg.Med.Chem.Lett., 26, 2016
6TPW
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BU of 6tpw by Molmil
Crystal structures of FNIII domain one through four of the human leucocyte common antigen-related protein ( LAR)
Descriptor: Receptor-type tyrosine-protein phosphatase F, SULFATE ION
Authors:Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
Deposit date:2019-12-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
6ZKN
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BU of 6zkn by Molmil
Complex I inhibited by rotenone, open3
Descriptor: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ...
Authors:Kampjut, D, Sazanov, L.A.
Deposit date:2020-06-30
Release date:2020-10-07
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
5I3W
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BU of 5i3w by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
6ZKC
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BU of 6zkc by Molmil
Complex I during turnover, closed
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Kampjut, D, Sazanov, L.A.
Deposit date:2020-06-30
Release date:2020-10-07
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6ZKR
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BU of 6zkr by Molmil
Native complex I, open3
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Kampjut, D, Sazanov, L.A.
Deposit date:2020-06-30
Release date:2020-10-07
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
8CCK
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BU of 8cck by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CDT
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BU of 8cdt by Molmil
Crystal structure of the xNup93-Nb2t VHH antibody
Descriptor: 15-Nup93 tracking VHH antibody, GLYCEROL
Authors:Guttler, T, Colom, M.S, Gorlich, D.
Deposit date:2023-02-01
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 43, 2024
5YZV
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BU of 5yzv by Molmil
Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA
Descriptor: Probable serine/threonine-protein kinase PkwA
Authors:Li, D.Y, Shen, C, Du, Y, Qiao, F.F, Kong, T, Yuan, L.R, Zhang, D.L, Wu, X.H, Wu, Y.D.
Deposit date:2017-12-15
Release date:2018-10-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA
Sci Rep, 8, 2018
5WPH
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BU of 5wph by Molmil
Crystal structure of ArsN, N-acetyltransferase with substrate AST from Pseudomonas putida KT2440
Descriptor: (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid, Phosphinothricin N-acetyltransferase, SODIUM ION
Authors:Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P.
Deposit date:2017-08-04
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic.
Commun Biol, 2, 2019
8CCJ
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BU of 8ccj by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with NADPH
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCM
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BU of 8ccm by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8IOD
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BU of 8iod by Molmil
Cryo-EM structure of the PG-901-bound human melanocortin receptor 5 (MC5R)-Gs complex
Descriptor: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,HiBiT, ...
Authors:Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W.
Deposit date:2023-03-10
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
4Q0H
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BU of 4q0h by Molmil
Deinococcus radiodurans BphP PAS-GAF
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, CHLORIDE ION, ...
Authors:Burgie, E.S, Vierstra, R.D.
Deposit date:2014-04-02
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.157 Å)
Cite:Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
8CCL
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BU of 8ccl by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry A09
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
5F6W
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BU of 5f6w by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol)
Descriptor: 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
8INR
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BU of 8inr by Molmil
Cryo-EM structure of the alpha-MSH-bound human melanocortin receptor 5 (MC5R)-Gs complex
Descriptor: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,HiBiT, ...
Authors:Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W.
Deposit date:2023-03-10
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
5IAE
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BU of 5iae by Molmil
Caspase 3 V266F
Descriptor: ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ...
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016

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