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4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
2WF6
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BU of 2wf6 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-04-03
Release date:2010-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
6TRU
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BU of 6tru by Molmil
Crystal structure of the N-terminal half of the TFIIH subunit p52
Descriptor: RNA polymerase II transcription factor B subunit 2
Authors:Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C.
Deposit date:2019-12-19
Release date:2020-10-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Nucleic Acids Res., 48, 2020
6TTX
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BU of 6ttx by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051)
Descriptor: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
2O4Q
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BU of 2o4q by Molmil
Structure of Phosphotriesterase mutant G60A
Descriptor: CACODYLATE ION, Parathion hydrolase, ZINC ION
Authors:Kim, J, Ramagopal, U.A, Tsai, P.C, Raushel, F.M, Almo, S.C.
Deposit date:2006-12-04
Release date:2007-12-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of diethyl phosphate bound to the binuclear metal center of phosphotriesterase.
Biochemistry, 47, 2008
2JJ4
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BU of 2jj4 by Molmil
The complex of PII and acetylglutamate kinase from Synechococcus elongatus PCC7942
Descriptor: ACETYLGLUTAMATE KINASE, N-ACETYL-L-GLUTAMATE, NITROGEN REGULATORY PROTEIN P-II
Authors:Llacer, J.L, Marco-Marin, C, Gil-Ortiz, F, Fita, I, Rubio, V.
Deposit date:2007-07-04
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:The Crystal Structure of the Complex of Pii and Acetylglutamate Kinase Reveals How Pii Controls the Storage of Nitrogen as Arginine
Proc.Natl.Acad.Sci.USA, 104, 2007
6TTP
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BU of 6ttp by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023)
Descriptor: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
2WF5
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BU of 2wf5 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-04-03
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
4ZVV
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BU of 4zvv by Molmil
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
Descriptor: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Li, Y, Chen, Z, Eigenbrot, C.
Deposit date:2015-05-18
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
6I2M
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BU of 6i2m by Molmil
Crystal structure of vaccinia virus protein A55 BTB-Back domain in complex with human Cullin-3 N-terminus
Descriptor: Cullin-3, Kelch repeat and BTB domain-containing protein A55
Authors:Gao, G, Graham, S.C.
Deposit date:2018-11-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of cullin-3 (Cul3) ubiquitin ligase subversion by vaccinia virus protein A55.
J.Biol.Chem., 294, 2019
6TRQ
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BU of 6trq by Molmil
S.c. Scavenger Decapping Enzyme DcpS in complex with the capped RNA dinucleotide m7G-GU
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, L-GUANOSINE-5'-MONOPHOSPHATE, PHOSPHONATE, ...
Authors:Fuchs, A.-L, Neu, A, Sprangers, R.
Deposit date:2019-12-19
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.944 Å)
Cite:Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TSH
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BU of 6tsh by Molmil
Beta-galactosidase in complex with deoxygalacto-nojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-20
Release date:2020-01-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
3B9L
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BU of 3b9l by Molmil
Human serum albumin complexed with myristate and AZT
Descriptor: 3'-azido-3'-deoxythymidine, MYRISTIC ACID, Serum albumin
Authors:Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M.
Deposit date:2007-11-05
Release date:2008-05-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography
J.Struct.Biol., 162, 2008
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Descriptor: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
4ZXN
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BU of 4zxn by Molmil
Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HE protein, SODIUM ION, ...
Authors:Bakkers, M.J.G, Feitsma, L.J, Huizinga, E.G, de Groot, R.J.
Deposit date:2015-05-20
Release date:2016-05-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of murine coronavirus hemagglutinin-esterases reveal structural basis for esterase substrate specificity
To Be Published
6TR8
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BU of 6tr8 by Molmil
Corynebacterium diphtheriae methionine sulfoxide reductase B (MsrB) solution structure - reduced form
Descriptor: Peptide-methionine (R)-S-oxide reductase, ZINC ION
Authors:Volkov, A.N, Tossounian, M.A, Buts, L, Messens, J.
Deposit date:2019-12-18
Release date:2020-02-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Methionine sulfoxide reductase B fromCorynebacterium diphtheriaecatalyzes sulfoxide reduction via an intramolecular disulfide cascade.
J.Biol.Chem., 295, 2020
2WBP
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BU of 2wbp by Molmil
Crystal structure of VioC in complex with Fe(II), (2S,3S)- hydroxyarginine, and succinate
Descriptor: (2S,3S)-3-HYDROXYARGININE, ARGININE, FE (II) ION, ...
Authors:Helmetag, V, Samel, S.A, Thomas, M.G, Marahiel, M.A, Essen, L.-O.
Deposit date:2009-03-02
Release date:2009-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural Basis for the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis.
FEBS J., 276, 2009
2OE7
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BU of 2oe7 by Molmil
High-Pressure T4 Lysozyme
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
Authors:Collins, M.D, Quillin, M.L, Matthews, B.W, Gruner, S.M.
Deposit date:2006-12-28
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Rigidity of a Large Cavity-containing Protein Revealed by High-pressure Crystallography.
J.Mol.Biol., 367, 2007
2OES
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BU of 2oes by Molmil
MSrecA-native-SSB
Descriptor: PHOSPHATE ION, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2007-01-01
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
6TU1
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BU of 6tu1 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)
Descriptor: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-31
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
6IP6
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BU of 6ip6 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome with HCV IRES (Structure iii)
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
Deposit date:2018-11-02
Release date:2019-05-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
2WBQ
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BU of 2wbq by Molmil
Crystal structure of VioC in complex with (2S,3S)-hydroxyarginine
Descriptor: (2S,3S)-3-HYDROXYARGININE, ACETATE ION, L-ARGININE BETA-HYDROXYLASE
Authors:Helmetag, V, Samel, S.A, Thomas, M.G, Marahiel, M.A, Essen, L.-O.
Deposit date:2009-03-02
Release date:2009-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Basis for the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis.
FEBS J., 276, 2009
2OFK
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BU of 2ofk by Molmil
Crystal Structure of 3-methyladenine DNA glycosylase I (TAG)
Descriptor: 3-methyladenine DNA glycosylase I, constitutive, TRIETHYLENE GLYCOL, ...
Authors:Metz, A.H, Hollis, T, Eichman, B.F.
Deposit date:2007-01-03
Release date:2007-05-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:DNA damage recognition and repair by 3-methyladenine DNA glycosylase I (TAG).
Embo J., 26, 2007
4ZZ7
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BU of 4zz7 by Molmil
Crystal structure of methylmalonate-semialdehyde dehydrogenase (DddC) from Oceanimonas doudoroffii
Descriptor: Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Do, H, Lee, C.W, Lee, S.G, Kang, H, Park, C.M, Kim, H.J, Park, H, Park, H, Lee, J.H.
Deposit date:2015-05-22
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure and modeling of the tetrahedral intermediate state of methylmalonate-semialdehyde dehydrogenase (MMSDH) from Oceanimonas doudoroffii.
J. Microbiol., 54, 2016

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