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3IAB
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BU of 3iab by Molmil
Crystal structure of RNase P /RNase MRP proteins Pop6, Pop7 in a complex with the P3 domain of RNase MRP RNA
Descriptor: P3 domain of the RNA component of RNase MRP, Ribonucleases P/MRP protein subunit POP6, Ribonucleases P/MRP protein subunit POP7, ...
Authors:Perederina, A, Esakova, O.A, Quan, C, Khanova, E, Krasilnikov, A.S.
Deposit date:2009-07-13
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Eukaryotic ribonucleases P/MRP: the crystal structure of the P3 domain
Embo J., 29, 2010
7TE0
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BU of 7te0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-01-03
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir.
J.Med.Chem., 65, 2022
7Y5G
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BU of 7y5g by Molmil
Cryo-EM structure of a eukaryotic ZnT8 in the presence of zinc
Descriptor: ZINC ION, Zinc transporter 8
Authors:Zhang, S, Fu, C, Luo, Y, Sun, Z, Su, Z, Zhou, X.
Deposit date:2022-06-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Cryo-EM structure of a eukaryotic zinc transporter at a low pH suggests its Zn 2+ -releasing mechanism.
J.Struct.Biol., 215, 2022
1HSS
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BU of 1hss by Molmil
0.19 ALPHA-AMYLASE INHIBITOR FROM WHEAT
Descriptor: 0.19 ALPHA-AMYLASE INHIBITOR
Authors:Oda, Y, Fukuyama, K.
Deposit date:1997-07-01
Release date:1998-07-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Tertiary and quaternary structures of 0.19 alpha-amylase inhibitor from wheat kernel determined by X-ray analysis at 2.06 A resolution.
Biochemistry, 36, 1997
3MHX
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BU of 3mhx by Molmil
Crystal Structure of Stenotrophomonas maltophilia FeoA complexed with Zinc: A Unique Procaryotic SH3 Domain Protein Possibly Acting as a Bacterial Ferrous Iron Transport Activating Factor
Descriptor: ACETATE ION, CHLORIDE ION, Putative ferrous iron transport protein A, ...
Authors:Chou, S.-H, Su, Y.-C, Chin, K.-H, Hung, H.-C, Shen, G.-H, Wang, A.H.-J.
Deposit date:2010-04-09
Release date:2010-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Stenotrophomonas maltophilia FeoA complexed with zinc: a unique prokaryotic SH3-domain protein that possibly acts as a bacterial ferrous iron-transport activating factor
Acta Crystallogr.,Sect.F, 66, 2010
4IFD
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BU of 4ifd by Molmil
Crystal structure of an 11-subunit eukaryotic exosome complex bound to RNA
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, Exosome complex component CSL4, ...
Authors:Makino, D.L, Conti, E.
Deposit date:2012-12-14
Release date:2013-02-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Crystal structure of an RNA-bound 11-subunit eukaryotic exosome complex.
Nature, 495, 2013
1CBL
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BU of 1cbl by Molmil
THE 1.9 ANGSTROM STRUCTURE OF DEOXY-BETA4 HEMOGLOBIN: ANALYSIS OF THE PARTITIONING OF QUATERNARY-ASSOCIATED AND LIGAND-INDUCED CHANGES IN TERTIARY STRUCTURE
Descriptor: HEMOGLOBIN BETA 4 (DEOXY), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Borgstahl, G.E.O, Arnone, A.
Deposit date:1993-02-18
Release date:1994-07-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.9 A structure of deoxy beta 4 hemoglobin. Analysis of the partitioning of quaternary-associated and ligand-induced changes in tertiary structure.
J.Mol.Biol., 236, 1994
1ZBK
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BU of 1zbk by Molmil
Recognition of specific peptide sequences by signalling protein from sheep mammary gland (SPS-40): Crystal structure of the complex of SPS-40 with a peptide Trp-Pro-Trp at 2.9A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3 like protein 1, PEPTIDE TRP-PRO-TRP
Authors:Srivastava, D.B, Ethayathulla, A.S, Kumar, J, Singh, N, Somvanshi, R.K, Sharma, S, Dey, S, Singh, T.P.
Deposit date:2005-04-08
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recognition of specific peptide sequences by signalling protein from sheep mammary gland (SPS-40): Crystal structure of the complex of SPS-40 with a peptide Trp-Pro-Trp at 2.9A resolution
To be Published
6AHE
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BU of 6ahe by Molmil
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Rani, S.T, Nataraj, V, Laxminarasimhan, A, Thomas, A, Krishnamurthy, N.
Deposit date:2018-08-17
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ternary complex formation of AFN-1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies.
Chem.Biol.Drug Des., 96, 2020
4FW8
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BU of 4fw8 by Molmil
Crystal structure of FABG4 complexed with Coenzyme NADH
Descriptor: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2012-06-30
Release date:2012-11-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
7NIN
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BU of 7nin by Molmil
X-ray crystal structure of LsAA9A - CinnamtanninB1 soak
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Auxiliary activity 9, ...
Authors:Frandsen, K.E.H, Tokin, R, Skov, L, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-02-12
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibition of lytic polysaccharide monooxygenase by natural plant extracts.
New Phytol., 232, 2021
7NIM
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BU of 7nim by Molmil
X-ray crystal structure of LsAA9A - cinnamon extract soak
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Auxiliary activity 9, ...
Authors:Frandsen, K.E.H, Tokin, R, Skov, L, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-02-12
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inhibition of lytic polysaccharide monooxygenase by natural plant extracts.
New Phytol., 232, 2021
7NGE
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BU of 7nge by Molmil
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed conformation
Descriptor: CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Mirgaux, M, Wouters, J.
Deposit date:2021-02-09
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
2X66
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BU of 2x66 by Molmil
The binary complex of PrnB (the second enzyme in pyrrolnitrin biosynthesis pathway) and cyanide
Descriptor: CYANIDE ION, PRNB, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhu, X, van pee, K.-H, Naismith, J.H.
Deposit date:2010-02-15
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), Tryptophan and Cyanide Yields New Mechanistic Insights Into the Indolamine Dioxygenase Superfamily.
J.Biol.Chem., 285, 2010
3IEJ
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BU of 3iej by Molmil
Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements
Descriptor: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S
Authors:Bembenek, S.
Deposit date:2009-07-22
Release date:2009-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.
Bioorg.Med.Chem.Lett., 19, 2009
4CSC
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BU of 4csc by Molmil
STRUCTURE OF TERNARY COMPLEXES OF CITRATE SYNTHASE WITH D-AND L-MALATE: MECHANISTIC IMPLICATIONS
Descriptor: ACETYL COENZYME *A, CITRATE SYNTHASE, D-MALATE
Authors:Karpusas, M, Holland, D, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
3EQG
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BU of 3eqg by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
5ZCZ
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BU of 5zcz by Molmil
Solution structure of the T. Thermophilus HB8 TTHA1718 protein in living eukaryotic cells by in-cell NMR spectroscopy
Descriptor: Heavy metal binding protein
Authors:Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2018-02-22
Release date:2019-08-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells.
Angew.Chem.Int.Ed.Engl., 58, 2019
5ZD0
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BU of 5zd0 by Molmil
Solution structure of human ubiquitin with three alanine mutations in living eukaryotic cells by in-cell NMR spectroscopy
Descriptor: ubiquitin
Authors:Tanaka, T, Ikeya, T, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2018-02-22
Release date:2019-08-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells.
Angew.Chem.Int.Ed.Engl., 58, 2019
5Z4B
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BU of 5z4b by Molmil
GB1 structure determination in living eukaryotic cells by in-cell NMR spectroscopy
Descriptor: Protein LG
Authors:Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2018-01-10
Release date:2019-01-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells.
Angew.Chem.Int.Ed.Engl., 58, 2019
5WPK
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BU of 5wpk by Molmil
Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to HMG-CoA and in a partially closed conformation
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl coenzyme A reductase, ...
Authors:Miller, B.R, Kung, Y.
Deposit date:2017-08-04
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
3GQC
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BU of 3gqc by Molmil
Structure of human Rev1-DNA-dNTP ternary complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3', 5'-D(*TP*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3', ...
Authors:Swan, M.K, Aggarwal, A.K.
Deposit date:2009-03-24
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the human Rev1-DNA-dNTP ternary complex.
J.Mol.Biol., 390, 2009
5J8H
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BU of 5j8h by Molmil
Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase
Descriptor: CALCIUM ION, Calmodulin, Eukaryotic elongation factor 2 kinase
Authors:Alphonse, S, Lee, K, Piserchio, A, Tavares, C.D.J, Giles, D.H, Wellmann, R.M, Dalby, K.N, Ghose, R.
Deposit date:2016-04-07
Release date:2016-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin.
Structure, 24, 2016
3EQD
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BU of 3eqd by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P
Descriptor: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
4I40
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BU of 4i40 by Molmil
crystal structure of Staphylococcal inositol monophosphatase-1: 50mM LiCl inhibited complex
Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2012-11-27
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014

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