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1EG7
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BU of 1eg7 by Molmil
THE CRYSTAL STRUCTURE OF FORMYLTETRAHYDROFOLATE SYNTHETASE FROM MOORELLA THERMOACETICA
Descriptor: FORMYLTETRAHYDROFOLATE SYNTHETASE, SULFATE ION
Authors:Radfar, R, Shin, R, Sheldrick, G.M, Minor, W, Lovell, C.R, Odom, J.D, Dunlap, R.B, Lebioda, L.
Deposit date:2000-02-14
Release date:2001-02-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of N(10)-formyltetrahydrofolate synthetase from Moorella thermoacetica.
Biochemistry, 39, 2000
4BTW
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BU of 4btw by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ...
Authors:Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
8UFM
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BU of 8ufm by Molmil
Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2
Descriptor: ACETATE ION, FORMIC ACID, Papain-like protease nsp3, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-04
Release date:2023-10-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2
To Be Published
5YKJ
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BU of 5ykj by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
Descriptor: GLYCEROL, Peroxiredoxin PRX1, mitochondrial, ...
Authors:Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
Deposit date:2017-10-14
Release date:2018-10-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
To be published
8UFL
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BU of 8ufl by Molmil
Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus
Descriptor: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-04
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus
To Be Published
4BUA
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BU of 4bua by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one
Descriptor: 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-20
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
8ASF
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BU of 8asf by Molmil
Crystal structure of Thrombin in complex with macrocycle T1
Descriptor: 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain
Authors:Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L.
Deposit date:2022-08-19
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3
To Be Published
5MMX
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BU of 5mmx by Molmil
ABA RECEPTOR FROM CITRUS, CSPYL1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CSPYL1_ABA
Authors:Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M.
Deposit date:2016-12-12
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.882 Å)
Cite:Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
4BX9
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BU of 4bx9 by Molmil
Human Vps33A in complex with a fragment of human Vps16
Descriptor: (2S)-2-hydroxybutanedioic acid, FORMIC ACID, MALONIC ACID, ...
Authors:Graham, S.C, Wartosch, L, Gray, S.R, Scourfield, E.J, Deane, J.E, Luzio, J.P, Owen, D.J.
Deposit date:2013-07-09
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of Vps33A recruitment to the human HOPS complex by Vps16.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
5YN8
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BU of 5yn8 by Molmil
Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, nsp10 protein, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
8UM3
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BU of 8um3 by Molmil
PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ...
Authors:Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-10-17
Release date:2023-11-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
To Be Published
5YNJ
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BU of 5ynj by Molmil
Crystal structure of MERS-CoV nsp16/nsp10 complex bound to m7GpppG
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, ZINC ION, nsp10 protein, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
5YNO
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BU of 5yno by Molmil
Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAH and m7GpppA
Descriptor: P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
8QLU
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BU of 8qlu by Molmil
Aspergillus fumigatus Woronin Body Major protein crystallized in cellulo
Descriptor: Woronin body major protein hexA
Authors:Boger, J, Redecke, L.
Deposit date:2023-09-20
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:HEX-1 protein structures in comparison
To Be Published
5YEJ
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BU of 5yej by Molmil
Crystal structure of BioQ with its naturel double-stranded DNA operator
Descriptor: DNA (5'-D(*AP*CP*CP*TP*GP*AP*AP*CP*AP*CP*CP*GP*TP*TP*CP*AP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*TP*GP*AP*AP*CP*GP*GP*TP*GP*TP*TP*CP*AP*GP*GP*T)-3'), TetR family transcriptional regulator
Authors:Yan, L, Guan, Z.Y, Zou, T.T.
Deposit date:2017-09-17
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural insights into operator recognition by BioQ in the Mycobacterium smegmatis biotin synthesis pathway.
Biochim Biophys Acta Gen Subj, 1862, 2018
5YPC
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BU of 5ypc by Molmil
p62/SQSTM1 ZZ domain with Phe-peptide
Descriptor: 78 kDa glucose-regulated protein,Sequestosome-1, ZINC ION
Authors:Kwon, D.H, Kim, L, Song, H.K.
Deposit date:2017-11-01
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Insights into degradation mechanism of N-end rule substrates by p62/SQSTM1 autophagy adapter.
Nat Commun, 9, 2018
8QJ5
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BU of 8qj5 by Molmil
Crystal structure of the Levansucrase beta from Pseudomonas syringae pv. actinidiae
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, GLYCEROL, ...
Authors:Ferraroni, M, Peritore, L.
Deposit date:2023-09-12
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the Levansucrase beta from Pseudomonas syringae pv. actinidiae
To Be Published
1NY3
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BU of 1ny3 by Molmil
Crystal structure of ADP bound to MAP KAP kinase 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAP kinase-activated protein kinase 2
Authors:Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Maguire, M, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L.
Deposit date:2003-02-11
Release date:2003-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
5MOA
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BU of 5moa by Molmil
ABA RECEPTOR FROM TOMATO, SlPYL1
Descriptor: SlPYL1
Authors:Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A.
Deposit date:2016-12-14
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
1ETJ
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BU of 1etj by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY GLU
Descriptor: AZURIN, COPPER (II) ION
Authors:Karlsson, B.G, Tsai, L.-C, Nar, H, Sanders-Loehr, J, Bonander, N, Langer, V, Sjolin, L.
Deposit date:1997-01-11
Release date:1997-04-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure determination and characterization of the Pseudomonas aeruginosa azurin mutant Met121Glu.
Biochemistry, 36, 1997
3SHW
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BU of 3shw by Molmil
Crystal structure of ZO-1 PDZ3-SH3-Guk supramodule complex with Connexin-45 peptide
Descriptor: Gap junction gamma-1 protein, Tight junction protein ZO-1
Authors:Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M.
Deposit date:2011-06-17
Release date:2011-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core
To be Published
4C6T
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BU of 4c6t by Molmil
Crystal structure of the RPS4 and RRS1 TIR domain heterodimer
Descriptor: DISEASE RESISTANCE PROTEIN RPS4, MALONIC ACID, PROBABLE WRKY TRANSCRIPTION FACTOR 52
Authors:Williams, S.J, Sohn, K.H, Wan, L, Bernoux, M, Ma, Y, Segonzac, C, Ve, T, Sarris, P, Ericsson, D.J, Saucet, S.B, Zhang, X, Parker, J, Dodds, P.N, Jones, J.D.G, Kobe, B.
Deposit date:2013-09-19
Release date:2014-05-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Assembly and Function of a Heterodimeric Plant Immune Receptor.
Science, 344, 2014
6EWV
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BU of 6ewv by Molmil
Solution Structure of Docking Domain Complex of RXP NRPS: Kj12C NDD - Kj12B CDD
Descriptor: NRPS Kj12C-NDD, NRPS Kj12B-CDD
Authors:Hacker, C, Cai, X, Kegler, C, Zhao, L, Weickhmann, A.K, Bode, H.B, Woehnert, J.
Deposit date:2017-11-06
Release date:2018-10-31
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure-based redesign of docking domain interactions modulates the product spectrum of a rhabdopeptide-synthesizing NRPS.
Nat Commun, 9, 2018
5XZE
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BU of 5xze by Molmil
Mouse cGAS bound to the inhibitor RU332
Descriptor: (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ...
Authors:Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M.
Deposit date:2017-07-12
Release date:2017-10-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
5MPX
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BU of 5mpx by Molmil
Crystal structure of Arabidopsis thaliana RNA editing factor MORF1, space group P2(1)
Descriptor: Multiple organellar RNA editing factor 1, mitochondrial, SULFATE ION
Authors:Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G.
Deposit date:2016-12-19
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9.
Nucleic Acids Res., 45, 2017

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數據於2024-10-30公開中

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