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7MDA
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BU of 7mda by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-03
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
4FQ7
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BU of 4fq7 by Molmil
Crystal structure of the maleate isomerase Iso from Pseudomonas putida S16
Descriptor: Maleate cis-trans isomerase
Authors:Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
4FQ5
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BU of 4fq5 by Molmil
Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate
Descriptor: MALEIC ACID, Maleate cis-trans isomerase
Authors:Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
6YVA
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BU of 6yva by Molmil
PLpro-C111S with mISG15
Descriptor: Replicase polyprotein 1a, Ubiquitin-like protein ISG15, ZINC ION
Authors:Shin, D, Dikic, I.
Deposit date:2020-04-28
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity.
Nature, 587, 2020
3HA8
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BU of 3ha8 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
Descriptor: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
Authors:Zhao, B, Clark, M.A.
Deposit date:2009-05-01
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
4WXX
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BU of 4wxx by Molmil
The crystal structure of human DNMT1(351-1600)
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Zhang, Z.M, Song, J.
Deposit date:2014-11-14
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.622 Å)
Cite:Crystal Structure of Human DNA Methyltransferase 1.
J.Mol.Biol., 427, 2015
6O3A
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BU of 6o3a by Molmil
Crystal structure of Frizzled 7 CRD in complex with F7.B Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ...
Authors:Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
Deposit date:2019-02-26
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O3B
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BU of 6o3b by Molmil
Crystal structure of Frizzled 7 CRD in complex with F6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab F6, Heavy chain, ...
Authors:Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
Deposit date:2019-02-26
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O39
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BU of 6o39 by Molmil
Crystal structure of Frizzled 5 CRD in complex with F2.I Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
Deposit date:2019-02-26
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4FBS
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BU of 4fbs by Molmil
Structure of monomeric NT from Euprosthenops australis Major Ampullate Spidroin 1 (MaSp1)
Descriptor: BROMIDE ION, Major ampullate spidroin 1
Authors:Askarieh, G, Hedhammar, M, Rising, A, Johansson, J, Knight, S.D.
Deposit date:2012-05-23
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain
J.Mol.Biol., 2012
6X9L
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BU of 6x9l by Molmil
Crystal Structure of Aldehyde Dehydrogenase C (AldC) mutant (C291A) from Pseudomonas syringae in complexed with NAD+ and Octanal
Descriptor: Aldehyde dehydrogenase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OCTANAL
Authors:Lee, S.G, Jez, J.M.
Deposit date:2020-06-03
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The plant pathogen enzyme AldC is a long-chain aliphatic aldehyde dehydrogenase.
J.Biol.Chem., 295, 2020
6ML6
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BU of 6ml6 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML5
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BU of 6ml5 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML4
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BU of 6ml4 by Molmil
BTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 3)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML7
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BU of 6ml7 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML3
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BU of 6ml3 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 2)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML2
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BU of 6ml2 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 1)
Descriptor: DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ZINC ION, ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
8BCR
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BU of 8bcr by Molmil
DENV3 Methyltransferase in complexed with AT-9010 and SAH
Descriptor: Genome polyprotein, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Gauffre, P, Fattorini, V, Canard, B, Ferron, F.
Deposit date:2022-10-17
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AT-752 targets multiple sites and activities on the Dengue virus replication enzyme NS5.
Antiviral Res., 212, 2023
5D1Q
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BU of 5d1q by Molmil
IsdB NEAT2 bound by clone D2-06
Descriptor: D2-06 Heavy Chain, D2-06 Light Chain, Iron-regulated surface determinant protein B, ...
Authors:Deng, X.
Deposit date:2015-08-04
Release date:2016-08-10
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
5D1Z
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BU of 5d1z by Molmil
IsdB NEAT1 bound by clone D4-10
Descriptor: D4-10 Heavy Chain, D4-10 Light Chain, Iron-regulated surface determinant protein B, ...
Authors:Deng, X.
Deposit date:2015-08-04
Release date:2016-09-14
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
2YE0
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BU of 2ye0 by Molmil
X-ray structure of the cyan fluorescent protein mTurquoise (K206A mutant)
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:von Stetten, D, Goedhart, J, Noirclerc-Savoye, M, Lelimousin, M, Joosen, L, Hink, M.A, van Weeren, L, Gadella, T.W.J, Royant, A.
Deposit date:2011-03-25
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Guided Evolution of Cyan Fluorescent Proteins Towards a Quantum Yield of 93%
Nat.Commun, 3, 2012
2YE1
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BU of 2ye1 by Molmil
X-ray structure of the cyan fluorescent proteinmTurquoise-GL (K206A mutant)
Descriptor: GREEN FLUORESCENT PROTEIN, MAGNESIUM ION
Authors:von Stetten, D, Noirclerc-Savoye, M, Goedhart, J, Gadella, T.W.J, Royant, A.
Deposit date:2011-03-25
Release date:2012-04-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Characterization of the Cyan Fluorescent Protein Mturquoise-Gl
To be Published
7QAR
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BU of 7qar by Molmil
Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature
Descriptor: (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase
Authors:Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A.
Deposit date:2021-11-17
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
2P59
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BU of 2p59 by Molmil
Crystal Structure of Hepatitis C Virus NS3.4A protease
Descriptor: (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide
Authors:Perni, R.B, Wei, Y.
Deposit date:2007-03-14
Release date:2008-02-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
Authors:Sivaraja, M, Williams, D.C.
Deposit date:2018-04-06
Release date:2018-05-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018

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