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6RUW
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BU of 6ruw by Molmil
Zn-substituted alpha-Keggin bound to Proteinase K solved by MR
Descriptor: Proteinase K, SULFATE ION, Zn-substituted alpha-Keggin
Authors:Breibeck, J, Bijelic, A, Rompel, A.
Deposit date:2019-05-29
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
6OZV
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BU of 6ozv by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-16
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
7MHM
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BU of 7mhm by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5302 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
8AU5
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BU of 8au5 by Molmil
c-MET F1200I mutant in complex with Tepotinib
Descriptor: 1,2-ETHANEDIOL, 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, CHLORIDE ION, ...
Authors:Graedler, U, Lammens, A.
Deposit date:2022-08-25
Release date:2023-09-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
6RW4
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BU of 6rw4 by Molmil
Structure of human mitochondrial 28S ribosome in complex with mitochondrial IF3
Descriptor: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
Authors:Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A.
Deposit date:2019-06-03
Release date:2020-06-03
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Distinct pre-initiation steps in human mitochondrial translation.
Nat Commun, 11, 2020
5MQL
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BU of 5mql by Molmil
Crystal structure of dCK mutant C3S in complex with masitinib and UDP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
Authors:Rebuffet, E, Hammam, K, Saez-Ayala, M, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
Deposit date:2016-12-20
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
4PQI
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BU of 4pqi by Molmil
Crystal structure of glutathione transferase lambda3 from Populus trichocarpa
Descriptor: CALCIUM ION, GLUTATHIONE, In2-1 family protein, ...
Authors:Lallement, P.A, Meux, E, Gualberto, J.M, Prosper, P, Didierjean, C, Haouz, A, Saul, F, Rouhier, N, Hecker, A.
Deposit date:2014-03-03
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and enzymatic insights into Lambda glutathione transferases from Populus trichocarpa, monomeric enzymes constituting an early divergent class specific to terrestrial plants.
Biochem.J., 462, 2014
2XTS
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BU of 2xts by Molmil
Crystal Structure of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus
Descriptor: CALCIUM ION, COBALT (II) ION, CYTOCHROME, ...
Authors:Zander, U, Faust, A, Klink, B.U, de Sanctis, D, Panjikar, S, Quentmeier, A, Bardischewski, F, Friedrich, C.G, Scheidig, A.J.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural Basis for the Oxidation of Protein-Bound Sulfur by the Sulfur Cycle Molybdohemo-Enzyme Sulfane Dehydrogenase Soxcd.
J.Biol.Chem., 286, 2011
1DIA
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BU of 1dia by Molmil
HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY249543
Descriptor: METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID
Authors:Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M.
Deposit date:1999-11-29
Release date:2000-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
6UGF
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BU of 6ugf by Molmil
Katanin hexamer in the ring conformation with resolved protomer one in complex with substrate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Meiotic spindle formation protein mei-1, ...
Authors:Zehr, E.A, Roll-Mecak, A.
Deposit date:2019-09-26
Release date:2019-10-09
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Katanin Grips the beta-Tubulin Tail through an Electropositive Double Spiral to Sever Microtubules.
Dev.Cell, 52, 2020
8ATE
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BU of 8ate by Molmil
Galacturonic acid oxidase from Citrus sinensis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Boverio, A, Savino, S, Fraaije, M.W, Loncar, N.
Deposit date:2022-08-23
Release date:2023-09-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Biochemical and Structural Characterization of a Uronic Acid Oxidase from Citrus sinensis
Chemcatchem, 2023
6S3J
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BU of 6s3j by Molmil
Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant E134C/F149C
Descriptor: CALCIUM ION, Lipase, ZINC ION
Authors:Gihaz, S, Bash, Y, Rush, I, Shahar, A, Pazy, Y, Fishman, A.
Deposit date:2019-06-25
Release date:2019-10-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis
Chemcatchem, 2019
6S3Q
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BU of 6s3q by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with TFB-TBOA
Descriptor: (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-25
Release date:2020-07-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3)
TO BE PUBLISHED
6P52
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BU of 6p52 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae with a bound phosphate at the active site
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
8AU3
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BU of 8au3 by Molmil
c-MET Y1234E,Y1235E mutant in complex with Tepotinib
Descriptor: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ...
Authors:Graedler, U, Lammens, A.
Deposit date:2022-08-25
Release date:2023-09-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
2OMO
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BU of 2omo by Molmil
Putative antibiotic biosynthesis monooxygenase from Nitrosomonas europaea
Descriptor: DUF176
Authors:Osipiuk, J, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-01-22
Release date:2007-01-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:X-ray structure of putative antibiotic biosynthesis monooxygenase from Nitrosomonas europaea.
To be Published
6Z2A
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BU of 6z2a by Molmil
Structure of Clr4 mutant - F256A/F310A/F427A bound to SAH
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-9 specific, MAGNESIUM ION, ...
Authors:Stirpe, A, Schalch, T.
Deposit date:2020-05-15
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:SUV39 SET domains mediate crosstalk of heterochromatic histone marks.
Elife, 10, 2021
1DCC
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BU of 1dcc by Molmil
2.2 ANGSTROM STRUCTURE OF OXYPEROXIDASE: A MODEL FOR THE ENZYME:PEROXIDE COMPLEX
Descriptor: CYTOCHROME C PEROXIDASE, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miller, M.A, Shaw, A, Kraut, J.
Deposit date:1994-06-01
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 A structure of oxy-peroxidase as a model for the transient enzyme: peroxide complex.
Nat.Struct.Biol., 1, 1994
1DCR
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BU of 1dcr by Molmil
CRYSTAL STRUCTURE OF DNA SHEARED TANDEM G-A BASE PAIRS
Descriptor: 5'-D(*CP*CP*GP*AP*AP*(BRU)P*GP*AP*GP*G)-3', MAGNESIUM ION, SODIUM ION, ...
Authors:Gao, Y.-G, Robinson, H, Sanishvili, R, Joachimiak, A, Wang, A.H.-J.
Deposit date:1999-11-05
Release date:1999-11-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and recognition of sheared tandem G x A base pairs associated with human centromere DNA sequence at atomic resolution.
Biochemistry, 38, 1999
8AW1
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BU of 8aw1 by Molmil
c-MET Y1235D mutant in complex with Tepotinib
Descriptor: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor
Authors:Graedler, U, Lammens, A.
Deposit date:2022-08-29
Release date:2023-09-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
2XC7
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BU of 2xc7 by Molmil
Solution Structure of PHAX-RBD in complex with ssRNA
Descriptor: 5'-(AP*UP*CP*GP)-3', PHOSPHORYLATED ADAPTER RNA EXPORT PROTEIN
Authors:Mourao, A, Mackereth, C.D, Varrot, A, Cusack, S, Sattler, M.
Deposit date:2010-04-18
Release date:2010-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and RNA Recognition by the Snrna and Snorna Transport Factor Phax.
RNA, 16, 2010
2OQG
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BU of 2oqg by Molmil
ArsR-like Transcriptional Regulator from Rhodococcus sp. RHA1
Descriptor: ACETIC ACID, Possible transcriptional regulator, ArsR family protein
Authors:Kim, Y, Xu, X, Zheng, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-01-31
Release date:2007-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structure of the ArsR-like Transcriptional Regulator from Rhodococcus sp. RHA1
To be Published
6P6B
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BU of 6p6b by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15
Authors:Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
Deposit date:2019-06-03
Release date:2019-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
6P1J
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BU of 6p1j by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo2 serine module
Descriptor: ACETATE ION, CHLORIDE ION, CITRATE ANION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-20
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
4PIS
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BU of 4pis by Molmil
Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor
Descriptor: N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease
Authors:Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
Deposit date:2014-05-09
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014

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